@article { ISI:000227075600029, title = {1,3-Dipolar cycloaddition reaction of D-glucose-derived nitrone with allyl alcohol: synthesis of 2-hydroxy-1-deoxycastanospermine analogues}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {4}, year = {2005}, month = {FEB}, pages = {1356-1363}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The synthesis and evaluation of glycosidase inhibitory activity of polyhydroxylated indolizidine alkaloids namely 2-hydroxy-1-deoxycastanospermine 3a,b and 2-hydroxy-1-deoxy-8a-epi-castanospermine 3c,d is reported. The key step involves the intermolecular 1,3-dipolar cycloaddition of allyl alcohol to D-glucose-derived nitrone 4, followed by tosylation, that afforded four diastereomeric sugar-substituted isoxazolidines 5a-d with the desired regioselectivity. The one-pot conversion of 5a-d to pyrrolidines 8a-d by hydrogenolysis, removal of 1,2-acetonoide functionality, and hydrogenation afforded corresponding target molecules 3a-d.

}, issn = {0022-3263}, doi = {10.1021/jo048176x}, author = {Karanjule, Narayan S. and Markad, Shankar D. and Sharma, T. and Sabharwal, Sushma G. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article {42471, title = {1,4-Dipolar cycloaddition in organic synthesis: a facile route to isoquinoline fused heterocycles}, journal = {Arkivoc}, volume = {2005}, year = {2005}, month = {JAN}, pages = {178-188}, type = {Article}, abstract = {

The three component condensation reactions involving isoquinoline, dimethyl acetylenedicarboxylate and carbonyl dipolarophiles such as o- and p-benzoquinones and Nsubstituted isatins constitute a one-pot synthesis of a variety of [1,3]oxazino isoquinoline derivatives via 1,4-dipolar cycloaddition.

}, author = {Nair, Vijay and Sreekanth, Anakkalil R. and Abhilash, N. and Biju, Akkattu T. and Varma, Luxmi and Viji, Sreemathi and Mathew, Saumini} } @article { ISI:000231556400005, title = {2,5-dioxido-1,4-benzoquinonediimine (H2L2-), a hydrogen-bonding noninnocent bridging ligand related to aminated topaquinone: different oxidation state distributions in complexes [{(bpy)(2)Ru}(2)(mu-H2L)](n) (n=0,+,2+,3+,4+) and [{(acac)(2)Ru}(2)(mu-H2L)]}, journal = {Chemistry - a European Journal}, volume = {11}, number = {17}, year = {2005}, month = {AUG}, pages = {4901-4911}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

{The symmetrically dinuclear title compounds were isolated as diamagnetic [(bpy)(2)Ru(mu-H2L)Ru(bpy)(2)]- (ClO4)(2) (1-(ClO4)(2)) and as paramagnetic [(acac)(2)Ru(mu-H2L)Ru(acac)(2)] (2) complexes (bpy = 2,2{\textquoteright}-bipyridine; acac(-) -

}, keywords = {bridging ligands, Density functional calculations, EPR spectroscopy, N, O ligands, ruthenium}, issn = {0947-6539}, doi = {10.1002/chem.2005.00202}, author = {Kar, S. and Sarkar, B. and Ghumaan, Sandeep and Janardanan, D. and van Slageren, J. and Fiedler, Jan and Puranik, Vedavati G. and Sunoj, R. B. and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @article { ISI:000234202200037, title = {3-Aminopropyltriethoxysilyl functionalized Na-Al-MCM-41 solid base catalyst for selective preparation of 2-phenylpropionitrile from phenylacetonitrile}, journal = {Applied Catalysis A-General}, volume = {292}, year = {2005}, month = {SEP}, pages = {344-353}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Various solid base catalysts have been prepared by ion exchange of zeolites and Na-Al-MCM-41 and by organosilane grafting over mesoporous materials. Base catalysts thus synthesized were studied in the selective monomethylation of phenylacetonitrile (PAN) to 2-phenylpropionitrile (2-PPN) using dimethylcarbonate (DMC) as an alkylating agent in a Parr autoclave at a temperature ranging between 443 and 473 K and at autogenously developed pressure. NH2-Na-Al-MCM-41 (30) showed a high activity, and the optimum loading of 3-aminopropyltriethoxysilyl (3-APTES) was found to be 1.35 mmol g(-1), being consistent with the structural characterization. Co-condensation of 3-APTES, tetraethylorthosilicate (TEOS) and sodiumaluminate in the presence of surfactant provides a material with uniformly distributed basic sites responsible for high activity in the selective monomethylation of phenylacetonitrile. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {2-phenylpropionitrile, base catalysis, dimethylcarbonate, monomethylation, NH2-Na-Al-MCM-41, phenylacetonitrile}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.06.013}, author = {Venkatesan, C. and Chidambaram, M. and Singh, A. P.} } @article { ISI:000230713100019, title = {Alkylation of benzene with alpha-olefins over zirconia supported 12-silicotungstic acid}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {237}, number = {1-2}, year = {2005}, month = {AUG}, pages = {137-145}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Liquid phase alkylation of benzene to linear alkyl benzene (LAB) with alpha-olefins has been investigated with 12-silicotungstic acid supported on zirconia (STA/ZrO2) as the catalyst. Among the catalysts, 15 wt.\% STA/ZrO2 calcined at 750 degrees C was found to be most active than others in the alkylation reaction. The total amount of acid sites of different STA loaded catalysts were estimated by TPD of NH3 and 15 wt.\% STA/ZrO2 calcined at 750 degrees C was found to have the highest acidity and more active in the reaction. The optimization of reaction conditions of alkylation of benzene with 1-dodecene was performed with 15 wt.\% STA/ZrO2 calcined at 750 degrees C by varying catalyst concentration (1-5 wt.\% of reaction mixture); temperature, 373-423 K and benzene: 1-dodecene (1-dd) molar ratio, 5-15 in a Parr autoclave under N-2 pressure. Under the optimized reaction conditions, conversion of 1-dodecene (50.8\%) gave high selectivity to 2-phenyl dodecane (47.1\%) and the remaining 3-, 4-, 5- and 6-phenyldodecanes in 4 h. The reaction was found to be heterogeneously catalyzed and no contribution from homogeneous (leached) STA into the reaction medium. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {1-dodecene, 12-silicotungstic acid, Alkylation, Benzene, LAB, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.04.042}, author = {Sawant, D. P. and Halligudi, Shivappa B.} } @article { ISI:000230091400031, title = {Analytically continued Fock space multireference coupled-cluster theory: application to the (2)Pi(g) shape resonance in e-N-2 scattering}, journal = {Journal of Chemical Physics}, volume = {122}, number = {23}, year = {2005}, month = {JUN}, pages = {234320}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

The technique of Fock space multireference coupled-cluster (FSMRCC) is applied for the first time to the correlated calculation of the energy and width of a shape resonance in an electron-molecule collision. The procedure is based upon combining a complex absorbing potential with FSMRCC theory. Accurate resonance parameters are obtained by solving a small non-Hermitian eigenvalue problem. The potential-energy curve of the (2)Pi(g) state of N-2(-) is calculated using the FSMRCC and multireference configuration-interaction (MRCI) level of theories. Comparison with the single-determinant Hartree-Fock theory indicates that correlation effects are important in determining the behavior of the resonance state. (C) 2005 American Institute of Physics.

}, issn = {0021-9606}, doi = {10.1063/1.1938887}, author = {Sajeev, Y and Santra, R and Pal, S} } @article { ISI:000230123500084, title = {Aromatic polyimides from m-phenylene diamines containing pendant groups: synthesis and characterization}, journal = {Journal Applied Polymer Science}, volume = {97}, number = {3}, year = {2005}, month = {AUG}, pages = {1377-1384}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Two diamine monomers, 4-[4-(1-methyl-1-phenyl)phenoxy]-1,3-(diamino benzene and 4-{-[(4-methylphenyl)sulfonyl]phenoxy}-1,3-diamino benzene, were synthesized, and both diamines were polycondensed with three commercial dianhydrides to obtain aromatic polyimides containing pendant groups. The polyimides were characterized by solubility tests, viscosity measurements, IR, H-1-NMR, and C-13- NMR spectroscopy, x-ray diffraction studies, and thermogravimetric analysis. The polymides had inherent viscosities of 0.33-0.58 dL/g in m-cresol at 30 +/- 0.1 degrees C. All the polyimides were amorphous and were soluble in solvents such as NNdimethylacetamide, N-methyl-2-pyrrolidone, N,N-dimethylformamide, and in-cresol. Thermogravimetric analysis of the polymides indicated no weight loss below 410 degrees C under a nitrogen atmosphere. (c) 2005 Wiley Periodicals, Inc.

}, keywords = {heteroatom-containing polymers, High performance polymers, polyimides}, issn = {0021-8995}, doi = {10.1002/app.21859}, author = {Pal, R. R. and Patil, P. S. and Dere, R. T. and Salunkhe, M. M. and Maldar, Noormahamad N. and Wadgaonkar, P. P.} } @article { ISI:000232141000038, title = {Assessing the role of FecB mutation in productivity of Indian sheep}, journal = {Current Science}, volume = {89}, number = {5}, year = {2005}, month = {SEP}, pages = {887-890}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {

DNA samples from four Indian sheep breeds, viz. Garole, Deccani, Bannur and Madras Red were screened by PCR-RFLP to determine the presence of FecB mutation in these breeds. The Garole was the only breed, which carried the FecB mutation. The FecB mutation was introgressed from Garole sheep into Deccani sheep and Bannur sheep, and the performance of the crossbred sheep is being monitored in subsequent generations. Approximately half of the first backcross ewes (progeny of FecB heterozygote F1 rams) was found to carry one copy of FecB mutation, as expected. The FecB PCR-RFLP test was found to be fast, accurate and useful as a tool for making breeding decisions.

}, keywords = {FecB (Booroola) gene, Garole sheep, PCR-RFLP test, prolificacy}, issn = {0011-3891}, author = {Pardeshi, V. C. and Sainani, Mohini N. and Maddox, J. F. and Ghalsasi, P. M. and Nimbkar, C. and Gupta, V. S.} } @article { ISI:000228575900005, title = {Asymmetric dihydroxylation route to (R)-(-)-octopamine, (R)-(-)-tembamide and (R)-(-)-aegeline}, journal = {Arkivoc}, number = {3}, year = {2005}, month = {JAN}, pages = {36-43}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

A simple and efficient asymmetric synthesis of (R)-(-)-octopamine 1, (R)-(-)-tembamide 2 and (R)-(-)-aegeline 3 is described for the first time employing the Sharpless asymmetric dihydroxylation (AD) as the source of chirality. (C) 2004 Elsevier Science Ltd. All rights reserved.

}, keywords = {aegeline, Asymmetric synthesis, Dihydroxylation, octopamine, tembamide}, author = {Sadyandy, R. and Fernandes, R. A. and Kumar, P.} } @article { ISI:000227581000010, title = {Asymmetric synthesis of aryloxypropanolamines via OsO4-catalyzed asymmetric dihydroxylation}, journal = {Tetrahedron}, volume = {61}, number = {11}, year = {2005}, month = {MAR}, pages = {2831-2838}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple and effective procedure for the enantioselective synthesis of several beta-adrenergic blocking agents incorporating the first asymmetric synthesis of celiprolol, is described. The key steps are (i) sharpless asymmetric dihydroxylation of aryl allyl ethers to introduce chirality into the molecules and (ii) conversion of cyclic sulfates into the corresponding epoxides using a three-step procedure. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {antihypertensive, asymmetric dihydroxylation, cyclic sulfates, epoxides}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.074}, author = {Sayyed, I. A. and Thakur, V. V. and Nikalje, M. D. and Dewkar, Gajanan and Kotkar, S. P. and Sudalai, A.} } @article { ISI:000232981200014, title = {Aziridine carboxylate from D-glucose: synthesis of polyhydroxylated piperidine, pyrrolidine alkaloids and study of their glycosidase inhibition}, journal = {Organic \& Biomolecular Chemistry}, volume = {3}, number = {20}, year = {2005}, month = {OCT}, pages = {3720-3726}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The D-glucose derived aziridine carboxylate 5 was obtained from (E)-ethyl-6-bromo-1,2-O-isopropylidene-3-O-benzyl-5-deoxy-alpha-D-xylo-5 -eno-heptofuranuronate 4 through conjugate addition of benzylamine and in situ intramolecular nucleophilic expulsion of bromine. The regioselective aziridine ring-opening, using water as a nucleophile, resulted in the alpha-hydroxy-beta-aminoester 6, which was exploited in the synthesis of six and five membered azasugars 1b/1c and 2b/2c, respectively The glycosidase inhibitory activity of the title compounds was evaluated.

}, issn = {1477-0520}, doi = {10.1039/b509216g}, author = {Dhavale, Dilip D. and Kumar, K. S. A. and Chaudhari, Vinod D. and Sharma, T. and Sabharwal, Sushma G. and PrakashaReddy, J.} } @article { ISI:000230220900008, title = {Bacterial aerobic synthesis of nanocrystalline magnetite}, journal = {Journal of the American Chemical Society}, volume = {127}, number = {26}, year = {2005}, month = {JUL}, pages = {9326-9327}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0002-7863}, doi = {10.1021/ja0508469}, author = {Bharde, Atul A. and Wani, A. and Shouche, Y. and Joy, Pattayil Alias and Bhagavatula L. V. Prasad and Sastry, M.} } @article { ISI:000227933800013, title = {Benzoyl transfer reactivities of racemic 2,4-Di-O-acyl-myo-inosityl 1,3,5-orthoesters in the solid state: molecular packing and intermolecular interactions correlate with the ease of the reaction}, journal = {Chemistry-A European Journal}, volume = {11}, number = {7}, year = {2005}, month = {MAR}, pages = {2103-2110}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Racemic 2,4-di-O-acyl-myoinosityl 1,3,5-orthoesters undergo transesterification catalyzed by sodium carbonate with varying ease of reaction in the solid state; reactions in solution and melt do not show such varied differences. An interesting crystal of a 1:1 molecular complex of highly reactive racemic 2,4-di-O-benzoyl-myo-inosityl 1,3,5-orthoformate and its orthoacetate analogue exhibited better reactivity than the latter component alone. Single-crystal X-ray structures of the reactants have been correlated with the observed differences in the acyl-transfer efficiencies in the solid state. Although each of the derivatives helically self-assembles around the crystallographic 2(1) axis linked through O-(HO)-O-... hydrogen bonding, the pre-organization of the reactive groups (C=O [El] and OH [Nu]), C-(HO)-O-... and the C=H(...)pi interactions are significantly more favourable for the reactive derivatives than the less reactive ones. Bond-length distributions also showed differences; the O-C bond of the axial benzoyl group, which gets cleaved during the reaction, is longer (1.345-1.361 angstrom) relative to the chemically equivalent O-C bond of the equatorial benzoyl group (1.316-1.344 angstrom) in the reactive derivatives. These bond-length differences are not significant in the less reactive derivatives. The overall molecular organization is different too; the strikingly discrete helices, which may be viewed as {\textquoteleft}{\textquoteleft}reaction tunnels{\textquoteright}{\textquoteright} and are held by interhelical interactions, are clearly evident in the reactive derivatives in comparison with the less reactive ones.

}, keywords = {hydrogen bonds, Inositol, solid-state reactions, structure elucidation, transesterification}, issn = {0947-6539}, doi = {10.1002/chem.200400851}, author = {Sarmah, M. P. and Gonnade, Rajesh G. and Shashidhar, M. S. and Bhadbhade, Mohan M.} } @article { ISI:000232046200030, title = {Benzoylation of polyphenylene oxide: characterization and gas permeability investigations}, journal = {European Polymer Journal}, volume = {41}, number = {10}, year = {2005}, month = {OCT}, pages = {2461-2471}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Benzoylation of polyphenylene oxide (PPO) was carried out with aromatic acid chlorides bearing specific groups at para-position (H methyl, Br, Cl and nitro), which differ in their polarity and bulk. The reaction conditions were optimized individually to get the high degree of substitution. These materials were characterized for thermal as well as other physical properties that are known to affect the gas permeation. In a series investigated, the nitrobenzoyl substitution on PPO resulted in the highest increase in glass transition temperature and the lowest thermal stability. An estimation of the packing density parameters-fractional free volume by density measurement and the d-spacing by X-ray diffraction analysis showed an increase in the packing density. The gas permeability was found to decrease in all the cases of benzoylation. The helium and oxygen based selectivities were increased, while CO2 based selectivities were decreased. The unusual trend observed in the gas permeation properties is explained on the basis of nature of substituent and the degree of substitution. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {benzoylation, Gas permeability, polyphenylene oxide, selectivity}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2005.03.026}, author = {Bhole, Yogesh S. and Kharul, Ulhas K. and Somani, S. P. and Kumbharkar, S. C.} } @article { ISI:000228699400021, title = {Benzylation of benzene and other aromatics by benzyl chloride over mesoporous AlSBA-15 catalysts}, journal = {Microporous and Mesoporous Materials}, volume = {80}, number = {1-3}, year = {2005}, month = {MAY}, pages = {195-203}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Aluminum-containing mesoporous molecular sieves AISBA-15 with different n(Si)/n(Al), ratios and AIMCM-41 have been synthesized hydrothermally and characterized in detail by physicochemical methods, viz. XRD, N(2) adsorption and (27)Al NMR spectroscopy. The low angle XRD and N2 adsorption measurements reveal that the structural order of SBA-15 was retained after the incorporation of Al. The increase of the unit cell parameter with increasing aluminum content and (27)Al MAS NMR spectroscopy confirm the incorporation of aluminum in the framework. Benzylation of benzene and substituted benzenes reaction employing benzyl chloride as the alkylating agent over AISBA-15 and AIMCM-41 have been investigated. The influence of various reaction parameters such as reaction temperature, reactant feed ratio and catalyst amount affecting the activity and selectivity of AISBA-15, have been studied. Among the mesoporous catalysts studied, AISBA-15(45), where the number in parentheses indicates the molar nsilnA, ratio, shows both high conversion and high selectivity for the benzylation of benzene. The activity of this catalyst for the benzylation of different aromatic compounds is in the following order: benzene \> toluene \> p-xylene \> mesitylene \> anisole. Kinetics of the benzene benzylation over different catalysts have also been investigated. (c) 2005 Elsevier Inc. All rights reserved.

}, keywords = {Alkylation, AlSBA-15, Benzylation, SBA-15}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2004.12.012}, author = {Vinu, A. and Sawant, D. P. and Ariga, Katsuhiko and Hartmann, Martin and Halligudi, Shivappa B.} } @article { ISI:000233129500064, title = {Biocompatibility of gold nanoparticles and their endocytotic fate inside the cellular compartment: a microscopic overview}, journal = {Langmuir}, volume = {21}, number = {23}, year = {2005}, month = {NOV}, pages = {10644-10654}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Macrophages are one of the principal immune effector cells that play essential roles as secretory, phagocytic, and antigen-presenting cells in the immune system. In this study, we address the issue of cytotoxicity and immunogenic effects of gold nanoparticles on RAW264.7 macrophage cells. The cytotoxicity of gold nanoparticles has been correlated with a detailed study of their endocytotic uptake using various microscopy tools such as atomic force microscopy (AFM), confocal-laser-scanning microscopy (CFLSM), and transmission electron microscopy (TEM). Our findings suggest that Au(0) nanoparticles are not cytotoxic, reduce the production of reactive oxygen and nitrite species, and do not elicit secretion of proinflammatory cytokines TNF-alpha and IL1-, making them suitable candidates for nanomedicine. AFM measurements suggest that gold nanoparticles are internalized inside the cell via a mechanism involving pinocytosis, while CFLSM and TEM studies indicate their internalization in lysosomal bodies arranged in perinuclear fashion. Our studies thus underline the noncytotoxic, nonimmunogenic, and biocompatible properties ofgold nanoparticles with the potential for application in nanoimmunology, nanomedicine, and nanobiotechnology.

}, issn = {0743-7463}, doi = {10.1021/la0513712}, author = {Shukla, Ravi and Bansal, Vipul and Chaudhary, Manakshi and Basu, Atanu and Bhonde, Ramesh R. and Sastry, Murali} } @article { ISI:000228418700023, title = {Bioleaching of sand by the fungus fusarium oxysporum as a means of producing extracellular silica nanoparticles}, journal = {Advanced Materials}, volume = {17}, number = {7}, year = {2005}, month = {APR}, pages = {889+}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

A plant pathogenic fungus, Fusarium oxysporum, can be used as a biological model system for the extracellular bioleaching of hollow spherical silica nanoparticles (see Figure) from sand. The room-temperature synthesis of oxide nanomaterials using microorganisms starting from potential waste materials could lead to eco-friendly and economically viable methods for the large-scale synthesis of nanomaterials.

}, issn = {0935-9648}, doi = {10.1002/adma.200401176}, author = {Bansal, Vipul and Sanyal, A. and Rautaray, D. and Ahmad, Absar and Sastry, Murali} } @article { ISI:000227414900003, title = {Biological synthesis of stable vaterite crystals by the reaction of calcium ions with germinating chickpea seeds}, journal = {Crystal Growth \& Design}, volume = {5}, number = {2}, year = {2005}, month = {MAR}, pages = {399-402}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The total biological synthesis of CaCO3 crystals of the metastable vaterite polymorph at room temperature by simple protein-mediated reaction of aqueous Ca2+ ions with the CO2 generated during the root growth from germinating chickpea (Cicer arietinum) seeds is described. Highly stable vaterite crystals of spherical morphology are obtained, indicating that the proteins secreted from the roots during growth play a crucial role in stabilizing and directing the crystal growth.

}, issn = {1528-7483}, doi = {10.1021/cg0341858}, author = {Rautaray, D. and Sanyal, A. and Bharde, Atul A. and Ahmad, Absar and Sastry, M.} } @article { ISI:000232129900010, title = {Biosynthesis of gold and silver nanoparticles using emblica officinalis fruit extract, their phase transfer and transmetallation in an organic solution}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {5}, number = {10}, year = {2005}, month = {OCT}, pages = {1665-1671}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

The design, synthesis and characterization of biologically synthesized nanomaterials have become an area of significant interest. In this paper, we report the extracellular synthesis of gold and silver nanoparticles using Emblica Officinalis (amla, Indian Gooseberry) fruit extract as the reducing agent to synthesize Ag and Au nanoparticles, their subsequent phase transfer to an organic solution and the transmetallation reaction of hydrophobized silver nanoparticles with hydrophobized chloroaurate ions. On treating aqueous silver sulfate and chloroauric acid solutions with Emblica Officinalis fruit extract, rapid reduction of the silver and chloroaurate ions is observed leading to the formation of highly stable silver and gold nanoparticles in solution. Transmission Electron Microscopy analysis of the silver and gold nanoparticles indicated that they ranged in size from 10 to 20 nm and 15 to 25 nm respectively. Ag and Au nanoparticles thus synthesized were then phase transferred into an organic solution using a cationic surfactant octadecylamine. Transmetallation reaction between hydrophobized silver nanoparticles and hydrophobized chloroaurate ions in chloroform resulted in the formation of gold nanoparticles.

}, keywords = {Biosynthesis, Nanomaterials, Phase transfer, Transmetallation}, issn = {1533-4880}, doi = {10.1166/jnn.2005.184}, author = {Ankamwar, Balaprasad and Damle, C. and Ahmad, Absar and Sastry, M.} } @article { ISI:000230685200006, title = {Biphenyl hydrogenation over supported transition metal catalysts under supercritical carbon dioxide solvent}, journal = {Applied Catalysis A - General}, volume = {288}, number = {1-2}, year = {2005}, month = {JUL}, pages = {43-47}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Catalytic hydrogenation of biphenyl to bicyclohexyl, an organic hydrogen storage medium, was examined over supported transition metal catalysts in supercritical carbon dioxide solvent. The yield of bicyclohexyl was almost 100\% over the charcoal-supported rhodium (Rh/C) and ruthenium (Ru/C) catalysts at the temperature of 323 K, which was much lower than that required for biphenyl hydrogenation in organic solvents (573 K). The initial activity was higher over the Rh/C catalyst, while the initial selectivity to bicyclohexyl was higher over the Ru/C catalyst. The conversion of biphenyl increased with increase in hydrogen and carbon dioxide pressures, while the selectivity to bicyclohexyl was independent of hydrogen and carbon dioxide pressures over both catalysts. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {bicyclohexyl, biphenyl, charcoal-supported rhodium catalyst, charcoal-supported ruthenium catalyst, Hydrogen storage, Hydrogenation, Supercritical carbon dioxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.04.021}, author = {Hiyoshi, Norihito and Rode, C. V. and Sato, O. and Shirai, M.} } @article { ISI:000230389700019, title = {Bis(2-[alpha-hydroxyethyl]benzimidazolato)copper(II) anchored onto chloromethylated polystyrene for the biomimetic oxidative coupling of 2-aminophenol to 2-aminophenoxazine-3-one}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {236}, number = {1-2}, year = {2005}, month = {JUL}, pages = {132-138}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

2-(alpha-Hydroxyethyl)benzimidazole (Hhebmz) has been covalently anchored to chloromethylated polystyrene cross-linked with 5\% divinylbenzene. This polymer-anchored chelating resin reacts with cupric acetate in presence of Hhebmz to give polymer-anchored copper(II) complex PS-[Cu(hebmz)(2)]. Elemental analyses, FT-IR, electronic, scanning electron micrographs (SEM) and TGA-DTA pattern have been used to characterize the complex. Oxidative coupling of 2-aminophenol (OAP) to 2-aminophenoxazine-3-one (APX) catalyzed by PS-[Cu(hebmz)(2)] in presence of air at 70 degrees C in DMF gave 62\% substrate conversion over a period of 8 h. Kinetics of the above reaction indicated that the rate of oxidative coupling of OAP has a first order dependence with respect to substrate, catalyst and air pressure (dissolved O-2) concentrations in the range of conditions evaluated. Based on these observations, a plausible mechanism for the above reaction has been proposed. From, the study on the effect of temperature on the rates of oxidative coupling, an activation energy 34.2 kcal/degree mole was evaluated from Arrhenius plot of -ln rate versus 1/T. Enthalpy, entropy and free energy were calculated using standard thermodynamic equations for the above reaction. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {2-aminophenol, 2-aminophenoxazine-3-one, bis(2-[alpha-hydroxyethyl]benzimidazolato)copper(II), chloromethylated polystyrene, oxidative coupling}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.02.034}, author = {Maurya, Mannar R. and Sikarwar, S. and Joseph, Trissa and Halligudi, Shivappa B.} } @article { ISI:000229488700014, title = {Bronsted acidic ionic liquids: a green, efficient and reusable catalyst system and reaction medium for fischer esterification}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {234}, number = {1-2}, year = {2005}, month = {JUN}, pages = {107-110}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Bronsted acidic ionic liquid containing nitrogen-based organic cations 1-methylimidazole and 1-butyl-3-methylimidazolium and inorganic anions of the type BF4-, PF6- and PTSA(-) has been synthesized in good yields and used as a catalysts and reaction medium for Fischer esterification of alcohols with acids. These were characterized using FTIR and NMR spectroscopy. Ionic liquids as catalyst afforded good alcohol conversion and excellent ester selectivity. Fischer esterification of acetic acid with benzyl alcohol with different Bronsted acidic ionic liquids was carried out. Maximum substrate conversion 100 \% and product selectivity 100 \% was observed on using [BMIM](+)PTSAas catalyst over a period of 2 h. The ester was easily separated from the reaction mixture and the ionic liquid was reused four times after removing water. No significant loss in catalytic activity was observed on recycling. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {acids, alcohol and reaction medium, Fischer esterification, Ionic liquid}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.03.005}, author = {Joseph, Trissa and Sahoo, S. and Halligudi, Shivappa B.} } @article { ISI:000233736400023, title = {Calcite growth in Cissus quadrangularis plant extract, a traditional Indian bone-healing aid}, journal = {Current Science}, volume = {89}, number = {10}, year = {2005}, month = {NOV}, pages = {1742-1745}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {

Cissus quadrangularis, a plant that has been customarily used in the Indian subcontinent to hasten the process of healing in bone fractures, has been studied and exploited to synthesize calcite crystals. The plant extract serves as a rich source of calcium ions, which when reacted with CO2, leads to the formation of calcite crystals of highly irregular morphology indicating that bioorganic molecules present in the extract modulate the crystal morphology.

}, keywords = {bone fracture, calcite crystals, Cissus quadrangularis, traditional healing}, issn = {0011-3891}, author = {Sanyal, A. and Ahmad, Absar and Sastry, M.} } @article { ISI:000232166800055, title = {Carbohydrate-based approach for the total synthesis of 1,3-polyol/alpha-pyrone antifungal natural products}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {20}, year = {2005}, month = {SEP}, pages = {8216-8219}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An elimination and stereoselective hydrogenation of alpha-D-glucoheptonic-gamma-lactone derivative has been applied to prepare a differentially protected anti,anti-1,3,5-triol system, the utility of which has been extended for the total synthesis of anti-fungal 1,3-polyol/alpha-pyrone natural products.

}, issn = {0022-3263}, doi = {10.1021/jo050972v}, author = {Ramana, Chepuri V. and Srinivas, B. and Puranik, Vedavati G. and Gurjar, M. K.} } @article { ISI:000233432200006, title = {Carbonylation of alkynes, alkenes and alcohols using metal complex catalysts}, journal = {Catalysis Surveys from Asia}, volume = {9}, number = {3}, year = {2005}, month = {SEP}, pages = {193-205}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Carbonylation of olefins, alcohols and halides using homogeneous as well as heterogeneous catalysts has been discussed. Highlights of contributions on the activity, selectivity and stability of catalysts for carbonylation reactions are discussed. Kinetics and mechanism including characterization of the intermediate catalytic species has also been reviewed. The performance of anchored Pd complexes on mesoporous supports (MCM-41 and MCM-48), water soluble Pd complexes and supported Pd catalysts in carbonylation of aryl alcohols and olefins has been discussed in the context of catalyst-product separation. Some aspects of kinetic modelling and reaction engineering of these multiphase catalytic reactions have also been reviewed.

}, keywords = {Carbonylation, catalysis, Heterogenization, homogeneous, Palladium}, issn = {1571-1013}, doi = {10.1007/s10563-005-7556-x}, author = {Sarkar, B. R. and Chaudhari, Raghunath V.} } @article { ISI:000236923400014, title = {Catalytic transesterification of beta-ketoesters with zeolite H-FER under solvent free conditions}, journal = {Arkivoc}, volume = {13}, number = {13}, year = {2005}, month = {MAY}, pages = {162-168}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

Zeolite H-FER catalyzes the transesterification of beta-ketoesters with variety of alcohols under solvent-less condition in excellent yields. The catalyst can be reused without any loss of activity.

}, keywords = {ferrierite, transesterification, zeolite}, issn = {1424-6376}, author = {Chavan, Subhash P. and Pasupathy, K. and Shengule, S. and Shinde, V. and Anand, R.} } @article { ISI:000229558600004, title = {Characterization of two midgut proteinases of helicoverpa armigera and their interaction with proteinase inhibitors}, journal = {Journal of Insect Physiology}, volume = {51}, number = {5}, year = {2005}, month = {MAY}, pages = {513-522}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Two serine proteinases from the midgut of Helicoverpa armigera have been partially purified and characterized. One proteinase, HGP-1, was capable of hydrolyzing a synthetic substrate of elastase and was inhibited by elastatinal. The second proteinase, HGP-2, was inhibited by a trypsin inhibitor. Molecular weights of HGP-1 and HGP-2 were approximately 26.0 and 29.0 kDa, respectively. Both the proteinases exhibited alkaline pH optima in the range of 10-11. Furthermore, interaction of HGP-1 and HGP-2 with proteinase inhibitors (PIs) from host and non-host plants was studied. HGP-1 was not only insensitive to a PI from chickpea (host) but was also able to degrade it. The same PI from chickpea was able to inhibit over 50\% activity of HGP-2. On the contrary, PIs from potato (non-host) showed strong inhibition of both, HGP-1 and HGP-2 and also demonstrated protection of chickpea seed proteins from digestion by both the HGPs. These results could provide important clues in designing strategies for sustainable use of plant PIs in developing insect-tolerant transgenic plants. (C) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {elastase, Helicoverpa armigera gut proteinases, insect-resistant plants, plant proteinase inhibitors}, issn = {0022-1910}, doi = {10.1016/j.jinsphys.2004.12.004}, author = {Telang, M. A. and Giri, Ashok P. and Sainani, Mohini N. and Gupta, Vidya S.} } @article { ISI:000226484200001, title = {Chelation controlled regiospecific O-substitution of myo-inositol orthoesters: convenient access to orthogonally protected myo-inositol derivatives}, journal = {Tetrahedron}, volume = {61}, number = {3}, year = {2005}, month = {JAN}, pages = {529-536}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A general method for the completely regioselective protection of the three secondary hydroxyl groups of orthoester derivatives of myo-mositol, utilizing the subtle differences in reactivity exhibited by its alkali metal alkoxides due to differences in their ability to form chelates, is described. This method provides convenient access to orthogonally protected myo-inositol derivatives. A comparison of the methylation of racemic 4-0-trityl-myo-inositol 1,3,5-orthoformate in the presence of sodium or lithium ions showed that stabilization of the C4-alkoxide by chelation with lithium overrides steric hindrance offered by the C6-axial substituent in deciding the regioselectivity during the nucleophilic O-substitution. (C) 2004 Elsevier Ltd. All rights reserved.

}, issn = {0040-4020}, doi = {10.1016/j.tet.2004.11.025}, author = {Devaraj, Subramanian and Shashidhar, M. S. and Dixit, Shailesh S.} } @article { ISI:000232157000036, title = {Cloning, preparation and preliminary crystallographic studies of penicillin V acylase autoproteolytic processing mutants}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {61}, number = {1}, year = {2005}, month = {JAN}, pages = {124-127}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {1744-3091}, doi = {10.1107/S1744309104031227}, author = {Chandra, P. M. and Brannigan, James A. and Prabhune, Asmita and Pundle, A. and Turkenburg, J. P. and Dodson, Guy G. and Suresh, C. G.} } @article { ISI:000232320400015, title = {Cloning, purification, crystallization and preliminary structural studies of penicillin V acylase from Bacillus subtilis}, journal = {Acta Crystallographica Section F-Structural Biology Communications}, volume = {61}, number = {7}, year = {2005}, month = {JUL}, pages = {680-683}, publisher = {INT UNION CRYSTALLOGRAPHY}, type = {Article}, address = {2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND}, abstract = {

{Penicillin acylase proteins are amidohydrolase enzymes that cleave penicillins at the amide bond connecting the side chain to their beta-lactam nucleus. An unannotated protein from Bacillus subtilis has been expressed in Escherichia coli, purified and confirmed to possess penicillin V acylase activity. The protein was crystallized using the hanging-drop vapour-diffusion method from a solution containing 4 M sodium formate in 100 mM Tris-HCl buffer pH 8.2. Diffraction data were collected under cryogenic conditions to a spacing of 2.5 A. The crystals belonged to the orthorhombic space group C222(1), with unit-cell parameters a = 111.0

}, issn = {2053-230X}, author = {Rathinaswamy, P. and Pundle, A. V. and Prabhune, Asmita and SivaRaman, H. and Brannigan, James A. and Dodson, Guy G. and Suresh, C. G.} } @article { ISI:000230122100001, title = {CO2 activation and synthesis of cyclic carbonates and alkyl/aryl carbamates over adenine-modified Ti-SBA-15 solid catalysts}, journal = {Journal of Catalysis}, volume = {233}, number = {1}, year = {2005}, month = {JUL}, pages = {1-15}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Cyclic carbonates were synthesized by the cycloaddition Of CO2 to epoxides (epichlorohydrin, propene oxide, and styrene oxide), and carbamates were synthesized by reaction of alkyl or aryl amines, CO2, and n-butyl bromide. Solvents and cocatalysts/promoters, like N,N-dimethylaminopyridine (DMAP) and quaternary ammonium salts, which are usually essential with conventional catalyst systems, could be avoided with the use of adenine-modi lied Ti-SBA-15 catalysts. The catalysts were reused in several recycle experiments. The structural and textural properties of the catalysts were determined by X-ray diffraction (XRD), transmission electron microscopy (TEM), N-2 adsorption, and Fourier transform infrared (FTIR) and diffuse reflectance ultraviolet-visible (UV-vis DRS) techniques. Acid-base properties of the solid catalysts were investigated by temperature-programmed desorption (TPD) of NH3 and CO2 and DRIFTIR spectroscopy of adsorbed pyridine and CO2 techniques. The studies reveal that the Ti4+ ions increase catalytic activity by enhancing the adsorption of the epoxide and alkyl or aryl amine substrates. CO2 molecules are activated at the basic nitrogen groups of adenine. Increasing the surface concentrations of either CO2 (by anchoring basic molecules like adenine or increasing the partial pressure of CO2) or epoxides and alkyl or aryl amines (by increasing the concentration of Lewis acidic Ti4+ ions) enhances the catalytic activity. CO2 molecules activated at the covalently anchored adenine sites react with epoxide/amines adsorbed on the silica surface to form carbonates/carbamates. (c) 2005 Elsevier Inc. All rights reserved.

}, keywords = {activation of CO2, CO2 fixation, DRIFTIR spectroscopy of adsorbed pyridine and CO2, organo-functionalized mesoporous silica, phosgene-free synthesis, synthesis of carbamates, synthesis of cyclic carbonates, temperature-programmed desorption of NH3 and CO2 titanosilicates, Ti-SBA-15}, issn = {0021-9517}, doi = {10.1016/j.jcat.2005.03.023}, author = {Srivastava, R and Srinivas, D and Ratnasamy, P} } @article { ISI:000233129500063, title = {Cobalt and magnesium ferrite nanoparticles: preparation using liquid foams as templates and their magnetic characteristics}, journal = {Langmuir}, volume = {21}, number = {23}, year = {2005}, month = {NOV}, pages = {10638-10643}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An easy and convenient method for the synthesis of cobalt and magnesium ferrite nanoparticles is demonstrated using liquid foams as templates. The foam is formed from an aqueous mixture of an anionic surfactant and the desired metal ions, where the metal ions are electrostatically entrapped by the surfactant at the thin borders between the foam bubbles and their junctions. The hydrolysis is carried out using alkali resulting in the formation of desired nanoparticles, with the foam playing the role of a template. However, in the formation of ferrites with the formula MFe2O4, where the metal ion and iron possess oxidation states of +2 and +3, respectively, forming a foam from a 1:2 mixture of the desired ionic solutions would lead to a foam composition at variance with the original solution mixture because of greater electrostatic binding of ions possessing a greater charge with the surfactant. In our procedure, we circumvent this problem by preparing the foam from a 1:2 mixture of M2+ and Fe2+ ions and then utilizing the in situ conversion of Fe2+ to Fe3+ under basic conditions inside the foam matrix to get the desired composition of the metal ions with the required oxidation states. The fact that we could prepare both CoFe2O4 and MgFe2O4 particles shows the vast scope of this method for making even multicomponent oxides. The magnetic nanoparticles thus obtained exhibit a good crystalline nature and are characterized by superparamagnetic properties. The magnetic features observed for CoFe2O4 and MgFe2O4 nanoparticles are well in accordance with the expected behaviors, with CoFe2O4 particles showing higher blocking temperatures and larger coercivities. These features can easily be explained by the contribution of Co2+ sites to the magnetocrystalline anisotropy and the absence of the same from the Mg2+ ions.

}, issn = {0743-7463}, doi = {10.1021/la051595k}, author = {Bala, Tanushree and Sankar, C. R. and Baidakova, Marina and Osipov, V. and Enoki, Toshiaki and Joy, Pattayil Alias and Bhagavatula L. V. Prasad and Sastry, M.} } @article { ISI:000228743500063, title = {Comparison of the pervaporation separation of a water-acetonitrile mixture with zeolite-filled sodium alginate and poly(vinyl alcohol)-polyaniline semi-interpenetrating polymer network membranes}, journal = {Journal of Applied Polymer Science}, volume = {96}, number = {5}, year = {2005}, month = {JUN}, pages = {1968-1978}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The pervaporation (PV) separation performance of ZSM-5- and Na-Y-type zeolite-filled sodium alginate (NaAlg) membranes were compared with those of pure NaAlg and semi-interpenetrating polymer network (semi-IPN) membranes of poly(vinyl alcohol) (PVA) with polyaniline (PANI) for the dehydration of acetonitrile. The PV separation characteristics of the zeolite-filled membranes showed a dependence on the nature of the zeolites. The variation of the acidity function of the ZSM-5 zeolite had an influence on the flux and selectivity of the membranes when compared to unfilled membranes. The crosslinked membranes were characterized by differential scanning calorimetry, X-ray diffraction, scanning electron microscopy, and Fourier transform infrared spectroscopy. Increasing the PANI content of the semi-IPN network increased the separation selectivity. Among the NaAlg membranes, the plain NaAlg membrane showed the highest selectivity of 414 at 30 mass \% water in the feed mixture, whereas the Na-Y- and ZSM-5 (40)-filled NaAlg membranes exhibited much lower values of selectivity, that is, 7.3 and 4.3, respectively for 30 mass \% water in the feed. When the flux and selectivity data of ZSM-5 (250)-filled NaAlg membranes were compared with that of Na-Y- or ZSM-5 (40)-filled NaAlg membranes, a noticeable increase in the selectivity for the ZSM-5 (250)filled NaAlg membrane was observed, but a somewhat comparable flux was observed compared to the plain NaAlg membrane. For the first time, PANI was polymerized with PVA to yield a semi-IPN. The total flux and water flux increased systematically, whereas the selectivity decreased greatly from 251.87 to 5.95 with increasing amounts of water in the feed. (c) 2005 Wiley Periodicals, Inc.

}, keywords = {Diffusion, interpenetrating network (IPN), zeolites}, issn = {0021-8995}, doi = {10.1002/app.21653}, author = {Naidu, B. V. K. and Bhat, S. D. and Sairam, M. and Wali, A. C. and Sawant, D. P. and Halligudi, Shivaraj B. and Mallikarjuna, N. N. and Aminabhavi, Tejraj M.} } @article { ISI:000233775600007, title = {Concomitant dimorphs of tri-O-[p-halobenzoyl]-myo-inositol 1,3,5-orthoformates with different halogen bonding contacts: first order crystal-to-crystal thermal phase transition of kinetic form to the thermodynamic form}, journal = {Chemical Communications}, number = {47}, year = {2005}, month = {OCT}, pages = {5870-5872}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Crystallization of tri-O-[p-halobenzoyl]-myo-inositol 1,3,5-orthoformates from ethyl acetate-petroleum ether solution produced concomitant dimorphs that have different halogen bonding contacts; the kinetic form with C-(BrO)-O-...-C contacts upon heating to 185 degrees C, converts completely to the thermodynamic form with C-(BrOLC)-O-... contacts via crystal-to-crystal first order phase transition.

}, issn = {1359-7345}, doi = {10.1039/b511754b}, author = {Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S. and Sanki, A. K.} } @article { ISI:000232742000009, title = {Controlled growth of silicon nanocrystallites in silicon oxide matrix using 150 MeV Ag ion irradiation}, journal = {Nuclear Instruments \& Methods in Physics Research Section B-Beam Interactions with Materials and Atoms}, volume = {239}, number = {3}, year = {2005}, month = {SEP}, pages = {185-190}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We report the synthesis of silicon nanocrystals grown in silicon oxide matrix by swift heavy ion irradiation. Thin films of silicon oxide (SiO(x)) are irradiated with 150 MeV silver ions at fluence varying from 5 x 10(11) to 1 x 10(13) ions/cm(2). The variation in the properties of silicon nanocrystals embedded in silicon oxide with varying fluence is studied. The energy of the photoluminescence peak corresponding to the silicon nanocrystals is found to be red shifted with increasing fluence. The trends in the broadening of the X-ray diffraction peak with decreasing fluence supports the controlled growth of silicon nanocrystals in silicon oxide matrix. The crystallite size of nanoclusters of silicon is seen to increase with increasing fluence. The results are discussed in view of the structural transformation, in SiO(x) matrix, caused by swift heavy ion irradiation. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {oxide matrix, silicon nanocrystallites, swift heavy ion irradiation}, issn = {0168-583X}, doi = {10.1016/j.nimb.2005.04.069}, author = {Chaudhari, P. S. and Bhave, T. M. and Pasricha, R. and Singh, F. and Kanjilal, D. and Bhoraskar, S. V.} } @article { ISI:000226804000015, title = {Controlling the optical properties of lemongrass extract synthesized gold nanotriangles and potential application in infrared-absorbing optical coatings}, journal = {Chemistry of Materials}, volume = {17}, number = {3}, year = {2005}, month = {FEB}, pages = {566-572}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Anisotropic metal nanoparticles have distinct optical behavior when compared with their spherical counterparts. In this report, we demonstrate a simple method involving the reduction of aqueous gold ions by the extract of the lemongrass plant leading to the formation of gold nanotriangles with interesting absorption in the near-infrared (NIR) region of the electromagnetic spectrum. We show that, by simple variation of the experimental conditions, it is possible to vary the size of the gold nanotriangles and, thus, to tune the absorbance of flat gold nanoparticles in the NIR region. The NIR absorption of the gold nanotriangles is expected to be of application in hyperthermia of cancer cells and in IR-absorbing optical coatings. We show that the lemongrass extract synthesized gold nanotriangles can be easily cast in the form of films on glass substrates and that these films are highly efficient in absorbing IR radiation for potential architectural applications.

}, issn = {0897-4756}, doi = {10.1021/cm048292g}, author = {Shankar, S. S. and Rai, A. and Ahmad, Absar and Sastry, M.} } @article { ISI:000226714000027, title = {Convenient synthesis of 5-methylene-4-substituted-2(5H)-furanones}, journal = {Tetrahedron Letters}, volume = {46}, number = {6}, year = {2005}, month = {FEB}, pages = {1009-1012}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A synthesis of novel 4-(substituted)benzyl-5-methylene-2(5H)-furanones involving Stobbe condensation of substituted aldehydes with ethyl levulinate followed by treatment with acetic anhydride in the presence of sodium acetate, has been developed. (C) 2004 Elsevier Ltd. All rights reserved.

}, keywords = {5-methylene-2(5H)-furanones, acetic anhydride, arylaldehydes, ethyl levulinate, sodium acetate}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2004.12.040}, author = {Mahajan, Vishal A. and Shinde, Popat D. and Borate, Hanumant B. and Wakharkar, Radhika D.} } @article { ISI:000229592000044, title = {Copper- and ligand-free sonogashira reaction catalyzed by Pd(0) nanoparticles at ambient conditions under ultrasound irradiation}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {12}, year = {2005}, month = {JUN}, pages = {4869-4872}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The Sonogashira reaction proceeds at ambient temperature (30 degrees C) in acetone or room-temperature ionic liquid, 1,3-di-n-butylimidazolium tetrafluoroborate ([bbim]BF4), as solvent under ultrasound irradiation to give enhanced reaction rates, excellent chemoselectivity, and high yields in the absence of a copper cocatalyst and a phosphine ligand. TEM analysis showed the formation of stable, crystalline, and polydispersed Pd(0) nanoparticles as catalyst for the reaction.

}, issn = {0022-3263}, doi = {10.1021/jo0503815}, author = {Gholap, Atul R. and Venkatesan, K. and Pasricha, R. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, K. V.} } @article { ISI:000230389700020, title = {Copper(II) ion-exchanged montmorillonite as catalyst for the direct addition of N-H bond to CC triple bond}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {236}, number = {1-2}, year = {2005}, month = {JUL}, pages = {139-144}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An efficient synthesis of phenyl-(1-phenylethylidene)amine using copper-exchanged montmorillonite clay (Cu K-10) is demonstrated. The catalyst was characterized using UV-vis, XRD, BET surface area measurements, pyridine adsorption etc. The XRD and surface area measurement show that the structural characteristics of the support montmorillonite K-10 (K-10) are preserved after Cu exchange. The hydroamination of phenyl acetylene with aniline was carried out in toluene under reflux condition in N-2 atmosphere at 393 K. The reaction is highly regio-selective for only Markovnikoff{\textquoteright}s addition of an-tine to CC multiple bond and proceeded smoothly to completion. The reaction conditions were optimized to obtain complete conversion with respect to phenyl acetylene. Reaction data showed that the activity of the catalyst in hydroamination reaction is greater at higher reaction temperatures and nonpolar solvents and NZ pressure promotes the reaction drastically. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {alkyne, Aniline, Catalyst, hydroamination, K-10 montmorillonite clay, phenyl acetylene}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.04.022}, author = {Joseph, Trissa and Shanbhag, G. V. and Halligudi, Shivappa B.} } @article { ISI:000227603500004, title = {Co-precipitation method for the preparation of fine ferroelectric BaBi2M2O9}, journal = {Ceramics International}, volume = {31}, number = {3}, year = {2005}, month = {JAN}, pages = {379-381}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A simple co-precipitation technique had been successfully applied for the preparation of pure fine powders of single phase BaBi2Nb2O9. Ammonium hydroxide and ammonium oxalate were used to precipitate Ba2+, Bi3+ and Nb5+ cations simultaneously. No pyrochlore phase was formed while heating powder at 800 degrees C and pure BaBi2Nb2O9 phase was found to be formed by X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). The room temperature dielectric constant at 1 kHz is 100. The ferroelectric hysteresis loop parameters of these samples were also studied. (c) 2004 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {dielectric properties, Electron microscopy, ferroelectric properties, powders chemical preparation}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2004.05.024}, author = {Gaikwad, S. P. and Potdar, HS and Samuel, V and Ravi, V} } @article { ISI:000227550500009, title = {Co-precipitation method for the preparation of nanocrystalline ferroelectric SrBi2Nb2O9 ceramics}, journal = {Journal of Electroceramics}, volume = {14}, number = {1}, year = {2005}, month = {JAN}, pages = {83-87}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A simple co-precipitation technique had been successfully applied for the preparation of pure ultrafine single phase SrBi2Nb2O9. Ammonium hydroxide and ammonium oxalate were used to precipitate Sr2+, Bi3+ and Nb5+ cations simultaneously. No pyrochlore phase was found while heating powder at 850 C and pure SrBi2Nb2O9 (SBN) phase was formed as revealed by the X-ray diffraction (XRD) studies. Particle size and morphology was studied by transmission electron microscopy (TEM). The room temperature dielectric constant at 1 kHz is 100. The ferroelectric hysteresis loop parameters of these samples were also studied.

}, keywords = {Ceramics, Chemical synthesis, electronic materials, ferroelectricity, Oxides}, issn = {1385-3449}, doi = {10.1007/s10832-005-6588-y}, author = {Gaikwad, S. P. and Dhage, S. R. and Potdar, H. S. and Samuel, V. and Ravi, V.} } @article { ISI:000227447800012, title = {Coprecipitation technique to prepare BaNb2O6}, journal = {Materials Science and Engineering B-Solid State Materials for Advanced Technology}, volume = {117}, number = {2}, year = {2005}, month = {MAR}, pages = {169-171}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A mixture of ammonium oxalate and ammonium hydroxide was used to coprecipitate barium and niobium ions as barium oxalate and niobium hydroxide under basic conditions. This precursor on calcination at 750degreesC yielded BaNb2O6 ceramics. This is a much lower temperature as compared to that prepared by traditional solid-state method (1000degreesC), as reported for the formation of BaNb2O6. Transmission electron microscope (TEM) investigations revealed that the average particle size is 100 nm for the calcined powders. The room temperature dielectric constant at 1 kHz is found to be 1100. The ferroelectric hysteresis loop parameters of these samples were also studied. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {Ammonia, Ceramics, Electron microscopy, niobium oxide, Oxides}, issn = {0921-5107}, doi = {10.1016/j.mseb.2004.11.009}, author = {Natarajan, N and Samuel, V and Pasricha, R and Ravi, V} } @article { ISI:000233661000012, title = {Correlated complex independent particle potential for calculating electronic resonances}, journal = {Journal of Chemical Physics}, volume = {123}, number = {20}, year = {2005}, month = {NOV}, pages = {204110}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

We have formulated and applied an analytic continuation method for the recently formulated correlated independent particle potential [A. Beste and R. J. Bartlett J. Chem. Phys. 120, 8395 (2004)] derived from Fock space multireference coupled cluster theory. The technique developed is an advanced ab initio tool for calculating the properties of resonances in the low-energy electron-molecule collision problem. The proposed method quantitatively describes elastic electron-molecule scattering below the first electronically inelastic threshold. A complex absorbing potential is utilized to define the analytic continuation for the potential. A separate treatment of electron correlation and relaxation effects for the projectile-target system and the analytic continuation using the complex absorbing potential is possible, when an approximated form of the correlated complex independent particle potential is used. The method, which is referred to as complex absorbing potential-based correlated independent particle (CAP-CIP), is tested by application to the well-known (2)Pi(g) shape resonance of e-N-2 and the B-2(2g) shape resonance of e-C2H4 (ethylene) with highly satisfactory results. (c) 2005 American Institute of Physics.

}, issn = {0021-9606}, doi = {10.1063/1.2130338}, author = {Sajeev, Y and Santra, R and Pal, S} } @article { ISI:000228625600003, title = {Corrosion protective poly(o-toluldine) coatings on copper}, journal = {Corrosion Science}, volume = {47}, number = {6}, year = {2005}, month = {JUN}, pages = {1352-1369}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

This study examines the use of poly(o-toulidine) (POT) coatings for corrosion protection of copper (Cu) in an aqueous solution of 3\% NaCl. The POT coatings were synthesized on Cu substrates under cyclic voltammetric conditions from an aqueous solution of sodium oxalate. The resulting, POT coatings were uniform, shiny and strongly adherent to the Cu substrates. These coatings were characterized by cyclic voltammetry (CV), UV-visible absorption spectroscopy, Fourier transform infrared (FTIR) spectroscopy and scanning electron microscopy (SEM). The ability of POT to serve as a corrosion protective coating for Cu was examined by potentiodynamic polarization measurements and CV. The results of this study clearly reveal that the POT acts as corrosion protective coating on Cu and reduces the corrosion rate of Cu almost by a factor of 40. (c) 2004 Elsevier Ltd. All rights reserved.

}, keywords = {Conducting polymer coatings, Copper, Corrosion resistant coatings, cyclic voltammetry, poly(o-toluidine) coatings}, issn = {0010-938X}, doi = {10.1016/j.corsci.2004.07.041}, author = {Shinde, V. and Sainkar, S. R. and Patil, P. P.} } @article { ISI:000232157000041, title = {Crystallization and preliminary x-ray characterization of a lectin from Cicer arietinum (chickpea)}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {61}, number = {1}, year = {2005}, month = {JAN}, pages = {141-143}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {1744-3091}, doi = {10.1107/S1744309104032166}, author = {Katre, Uma V. and Gaikwad, S. M. and Bhagyawant, S. S. and Deshpande, U. D. and Khan, Mohammad Islam and Suresh, C. G.} } @article { ISI:000227998900001, title = {Cure characteristics and dielectric properties of magnetic composites containing strontium ferrite}, journal = {Journal of Elastomers and Plastics}, volume = {37}, number = {2}, year = {2005}, month = {APR}, pages = {109-121}, publisher = {SAGE PUBLICATIONS LTD}, type = {Article}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

Hexagonal strontium ferrite (SrFe12O19) powders were synthesized by the conventional ceramic techniques. They were then characterized by the X-ray diffraction method and incorporated in the natural rubber matrix according to a specific recipe for various loadings of ferrite to produce rubber ferrite composites (RFCs). The processability of these compounds was determined by evaluating the cure characteristics namely, scorch time, cure time, minimum and maximum torque. The evaluation of the dielectric properties of ceramic strontium ferrite (SrF), natural rubber gum vulcanizate, and RFCs were done with the help of a Hewlett Packard (HP) impedance analyzer. The magnetic properties of these composites were studied using a Vibrating Sample Magnetometer (VSM). The effect of carbon black on the processability, and the magnetic and dielectric properties were also studied by the incorporation of carbon black into these composites. It has been found that the addition of these ferrites and carbon black does not affect the processability of these composites, whereas the physical properties are found to be modified. From the magnetic and dielectric measurements it has been found that flexible magnets having appropriate dielectric strength can be prepared by the incorporation of appropriate amount of SrF and carbon black in the natural rubber matrix.

}, keywords = {hexagonal ferrites, Magnetic materials, permanent magnets, rubber ferrite composites (RFCs), strontium ferrite}, issn = {0095-2443}, doi = {10.1177/0095244305046488}, author = {Soloman, M. A. and Kurian, P. and Anantharaman, Maliemadom R. and Joy, Pattayil Alias} } @article { ISI:000229103900028, title = {Degradability of composites, prepared from ethylene-propylene copolymer and jute fiber under accelerated aging and biotic environments}, journal = {Materials Chemistry and Physics}, volume = {92}, number = {2-3}, year = {2005}, month = {AUG}, pages = {458-469}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The utilization of natural fiber as reinforcement for the thermoplastic composites is growing not only for ecological concern but also for wide range of applications. In the present article, three types of composites were prepared by melt mixing of ethyl ene-propylene (EP) copolymer and (i) 3\% NaOH treated jute fiber, (ii) 17.5\% NaOH treated jute fiber and (iii) commercial microcrystalline cellulose powder using maleated EP copolymer as compatibilizer. The obtained composites were characterized by Fourier transform infrared spectroscopy (FTIR), Thermal gravimetric analysis (TGA) and microscopic measurements. The durability of the composites was evaluated under polychromatic irradiation (λ \≥ 290 nm) and composting condition for different time intervals. It was found that the treatments on the natural fiber have influenced the service life of the end product. Composites made from microcrystalline cellulose showed better mechanical properties as well as photo-resistance. The specimen containing 3\% NaOH treated fiber exhibited relatively lowest photo-resistance and biosusceptibility. It was found that the composites were less durable under both abiotic and biotic conditions in comparison of the neat polymer matrix. {\textcopyright} 2005 Elsevier B.V. All rights reserved.

}, keywords = {accelerated aging and composting, composites, ethylene-propylene (EP) copolymers, jute fibers, mechanical properties, microcystalline cellulose powder}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.01.027}, author = {Kumar, AP and Singh, RP and Sarwade, BD} } @conference { ISI:000238284200016, title = {Density functional response approach for electric properties of molecules}, booktitle = {International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005)}, series = {LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES}, volume = {3}, year = {2005}, note = {International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005), Corinth, GREECE, OCT 21-26, 2005}, month = {OCT}, pages = {142-151}, publisher = {Vsp BV-C/o Brill Acad Publ, Po Box 9000, 2300 Pa Leiden, Netherlands}, organization = {Vsp BV-C/o Brill Acad Publ, Po Box 9000, 2300 Pa Leiden, Netherlands}, address = {Corinth, Greece}, abstract = {

We review in this paper an implementation of the response approach to the Kohn-Sham (KS) density functional theory (DFT) for obtaining the linear and non-linear electric response properties of molecules using Gaussian type orbital basis centered on atoms. We have made a formulation in which the response of the electron density through the solution of the coupled perturbed Kohn-Sham (CPKS) equations has to be obtained only once, instead of iteratively as in the case of completely analytic procedure. Our method is based on a numerical finite-field solution of derivative KS operator, followed by analytic solution of CPKS equation. Further, using the response of the electron density, the dipole moment, polarizability and first-hyperpolarizability of the molecules are evaluated. The method is particularly useful for large systems. We tested our method using HF, BH, H2O and CO as test molecules, for which, high quality ab initio results are available. Further, our study of possible incorporation of non-dynamical electron correlation by studying BH and HF at several internuclear distances is discussed.

}, keywords = {Density functional theory, molecular properties, polarizability, Response approach}, isbn = {90-6764-442-0}, issn = {1573-4196}, author = {Pal, Sourav and Sophy, K. B.}, editor = {Maroulis, G and Simos, T} } @article { ISI:000232691500012, title = {Development of a simple assay protocol for high-throughput screening of mycobacterium tuberculosis glutamine synthetase for the identification of novel inhibitors}, journal = {Journal of Biomolecular Screening}, volume = {10}, number = {7}, year = {2005}, month = {OCT}, pages = {725-729}, publisher = {SAGE PUBLICATIONS INC}, type = {Article}, address = {2455 TELLER RD, THOUSAND OAKS, CA 91320 USA}, abstract = {

Mycobacterium tuberculosis glutamine synthetase (GS) is an essential enzyme involved in the pathogenicity of the organism. The screening of a compound library using a robust high-throughput screening (HTS) assay is currently thought to be the most efficient way of getting lead molecules, which are potent inhibitors for this enzyme. The authors have purified the enzyme to a \> 90\% level from the recombinant Escherichia coli strain YMC21E, and it was used for partial characterization as well as standardization experiments. The results indicated that the K-m of the enzyme for L-glutamine and hydroxylamine were 60 mM and 8.3 mM, respectively. The K-m for ADP, arsenate, and Mn2+, were 2 mu M, 5 mu M, and 25 mu M, respectively. When the components were adjusted according to their K-m values, the activity remained constant for at least 3 h at both 25 degrees C and 37 degrees C. The Z{\textquoteright} factor determined in microplate format indicated robustness of the assay. When the signal/noise ratios were determined for different assay volumes, it was observed that the 200-mu l volume was found to be optimum. The DMSO tolerance of the enzyme was checked up to 10\%, with minimal inhibition. The IC50 value determined for L-methionine S-sulfoximine on the enzyme activity was 3 mM. Approximately 18,000 small molecules could be screened per day using this protocol by a Beckman Coulter HTS setup.

}, keywords = {Beckman Coulter, Glutamine synthetase, high-throughput screening, Mycobacterium tuberculosis}, issn = {1087-0571}, doi = {10.1177/1087057105278013}, author = {Singh, U and Panchanadikar, V and Sarkar, Dhiman} } @article { ISI:000232166800028, title = {Diastereoselective and general route to 5-amino-5-deoxysugars: influence of C-3 substitution on the addition of amines to C-5 of vinyl sulfone-modified Hex-5-enofuranosyl carbohydrates}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {20}, year = {2005}, month = {SEP}, pages = {8047-8054}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In the synthesis of vinyl sulfone-modified hex-5-enofuranosides, the E/Z ratios of the products are influenced by the stereoelectronic property of a group present at the C-3 position. This observation has been utilized to influence the diastereoselectivity of addition of amines to C-5 of vinyl sulfone-modified hex-5-enofuranosides, which are efficient Michael acceptors. The stereoelectronic effect of OMe attached to the beta-face of C-3 (gluco derivative) is sufficient to impose diastereoselectivity overwhelmingly in favor of L-ido-aminosugars when the Michael acceptor is reacted with both primary and secondary amines. 3-O-Benzylated gluco derivative is also effective in producing L-ido-aminosugars but only in reactions with primary amines. The selectivity is lost when an allo derivative with OBn at the alpha-face of C-3 is used. Selected products were desulfonated to establish this new approach as a general and versatile strategy for accessing 5-amino-5-deoxysugars.

}, issn = {0022-3263}, doi = {10.1021/jo051143c}, author = {Das, Indrajit and Pathak, T. and Suresh, C. G.} } @article { ISI:000232743700020, title = {Direct synthesis of well-ordered and unusually reactive FeSBA-15 mesoporous molecular sieves}, journal = {Chemistry of Materials}, volume = {17}, number = {21}, year = {2005}, month = {OCT}, pages = {5339-5345}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Large-pore hexagonal SBA-15 molecular sieves partially substituted with iron(III) have been synthesized for the first time in highly acidic media. The degree of iron(III) incorporation into SBA-15 can easily be controlled by a simple adjustment of the molar ratio of water and hydrochloric acid. All the materials have been characterized by XRD, N-2 adsorption, UV-Vis DRS, ESR, and XANES spectroscopy. The characterization of the FeSBA-15 materials by UV-Vis DRS, ESR, and XANES spectroscopies suggests that the iron atoms are highly dispersed and mostly occupy isolated tetrahedral sites. XANES studies revealed that the proportion of tetrahedrally coordinated Fe atoms decreases with decreasing n(Si)/n(Fc) ratios. Benzylation of benzene (or substituted benzenes) using benzyl chloride as the alkylating agent over FeSBA-15 with different n(Si)/n(Fe) ratios was investigated as was the same reaction using AISBA-15 as catalyst. The influence of parameters such as reaction temperature, reactant feed ratio, and the presence of electron-donating substituents on the activity and selectivity of AISBA-15 was studied. Under optimized reaction conditions, the FeSBA-15 catalyst showed a superior catalytic performance in the benzylation of benzene and other aromatics using benzyl chloride, with a clean conversion of benzyl chloride to the monoalkylated product (100\% selectivity) with a very high rate constant when compared to other mesoporous materials such as AISBA-15 and FeHMS. Interestingly, use of FeSBA-15(21) resulted in quantitative conversion of benzyl chloride with a high rate constant of 2420.5 x 10(-4) min(-1) under the optimized reaction conditions.

}, issn = {0897-4756}, doi = {10.1021/cm050883z}, author = {Vinu, A. and Sawant, D. P. and Ariga, Katsuhiko and Hossain, K. Z. and Halligudi, Shivappa B. and Hartmann, Martin and Nomura, M.} } @article { ISI:000226473300004, title = {DNA and PNA as templates for building nanoassemblies via electrostatic complexation with gold nanoparticles}, journal = {Current Applied Physics}, volume = {5}, number = {2}, year = {2005}, note = {Indo-Japan Workshop on Advanced Molecular Electronics and Bionics, Kyushu Inst Technol, Grad Sch Life Sci \& Syst Engn, Kitakyushu, JAPAN, DEC 11-13, 2003}, month = {FEB}, pages = {102-107}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Organisation of nanoparticles on structurally well-defined templates is a first step towards creating nanomachines. In this respect, nucleic acids are ideal structural templates and a variety of secondary structures realizable from DNA/RNA - e.g., duplexes, hairpins, triplexes, cruciforms, tetraplexes can be exploited to engineer nanoparticle organization at will. We have used oligonucleotides and their analogues such as phosphorothioates and peptide nucleic acids to electrostatically encapsulate cationic-capped gold nanoparticles. This article describes synthesis and characterization of DNA/PNA-gold nanoparticle composites using TEM and UV-T-m techniques. These types of assemblies may have potential for creating nanowires and lithographic circuits. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {DNA, DNA-gold nanoparticle interactions, nanoassemblies, PNA}, issn = {1567-1739}, doi = {10.1016/j.cap.2004.06.020}, author = {Gourishankar, A and Shukla, S and Pasricha, R and Sastry, M and Ganesh, Krishna N.} } @article { ISI:000232802700002, title = {Durability of natural fiber-reinforced composites of ethylene-propylene copolymer under accelerated weathering and composting conditions}, journal = {Journal of Thermoplastic Composite Materials}, volume = {18}, number = {6}, year = {2005}, month = {NOV}, pages = {489-508}, publisher = {SAGE PUBLICATIONS LTD}, type = {Article}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

Three types of composites are prepared by the melt mixing of ethylene-propylene copolymer (EPC) with (i) 3 \% NaOH-treated jute fiber, (ii) 17.5 \% NaOH-treated jute fiber, and (iii) commercial microcrystal line cellulose powder using maleated EPC as compatibilizer. The composites obtained are characterized by FTIR and microscopic measurements. Their mechanical properties are measured using a UTM (Instron model 4204). The durability of the composites is evaluated in an irradiation chamber with UV radiation of wavelength lambda \>= 290 mn and composting conditions at different time intervals. The composites made from microcrystalline cellulose show superior mechanical properties, biodisintegrability, as well as photoresistance whereas the specimen containing 3\% NaOH-treated fiber exhibited the lowest photoresistance. Increasing the quantity of maleated EP (MEP) in the composition decreases photostability. Neat EPC has been found to be highly stable than all the composites with increasing UV irradiation. It has been found that the composites are less durable under both abiotic and biotic conditions in comparison to the neat polymer.

}, keywords = {compatibilization, composites, jute fiber, mechanical properties, Microcrystalline cellulose, photodegradation and composting}, issn = {0892-7057}, doi = {10.1177/0892705705054411}, author = {Kumar, A. P. and Depan, Dilip and Singh, R. P.} } @article { ISI:000229128300059, title = {Effect of NaBr, KCl, KBr, and MgCl2 on viscosities of aqueous glycine and L-alanine solutions at 298.15 K}, journal = {Journal of Chemical and Engineering Data}, volume = {50}, number = {3}, year = {2005}, month = {JUN}, pages = {1083-1086}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Viscosities, η, of glycine and L-alanine are measured in aqueous solutions of NaBr, KCl, KBr, and MgCl2 up to high concentrations at 298.15 K. This study suggests that 1:1 electrolytes enhance the structure making ability of the amino acids whereas MgCl2 does not. The viscosities of the above solutions are correlated using a simple model with two interaction parameters.

}, issn = {0021-9568}, doi = {10.1021/je050048y}, author = {Badarayani, Rohini and Satpute, D. B. and Kumar, Anil} } @article { ISI:000227930800016, title = {Efficient method for the synthesis of methyl 11 alpha-amino-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate}, journal = {Tetrahedron}, volume = {61}, number = {14}, year = {2005}, month = {APR}, pages = {3605-3612}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of methyl 11 alpha-azido-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate, methyl 11 beta-azido-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate and methyl 11 alpha-amino-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate have been achieved. Mechanistic aspects for the decomposition of steroidal azidoketones to its enamines are discussed. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {11-aminosteroid, 11-azidosteroid, base catalyzed epimerization, HIV-1 protease inhibitors, steroidal enamines}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.073}, author = {Salunke, D. B. and Hazra, Braja G. and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Pore, V. S.} } @article { ISI:000226332600017, title = {Efficient stereoselective synthesis of (2S,4S,5R)-(-)- and (2R,4R,5S)-(+)-bulgecinine}, journal = {Tetrahedron Letters}, volume = {46}, number = {3}, year = {2005}, month = {JAN}, pages = {439-441}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short synthetic route to (-)-and (+)-bulgecinine, the amino acid moiety of the bulgecins was achieved from the readily available nonchiral pool starting material cis-2-butene-1,4-diol in which a Claisen orthoester rearrangement and a Sharpless asymmetric dihydroxylation were used as the key steps. (C) 2004 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2004.11.101}, author = {Chavan, Subhash P. and Praveen, C. and Sharma, P. and Kalkote, Uttam R.} } @article { ISI:000227823500012, title = {Electrochemical synthesis and corrosion protection properties of poly(o-toluidine) coatings on low carbon steel}, journal = {Journal of Applied Polymer Science}, volume = {96}, number = {3}, year = {2005}, month = {MAY}, pages = {685-695}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Uniform and strongly adherent poly(o-toluidine) (POT) coatings have been synthesized on low carbon steel (LCS) substrates by electrochemical polymerization (ECP) of o-toluidine under cyclic voltammetric conditions from an aqueous sodium tartrate solution. Cyclic voltammetry (CV), UV-visible absorption spectroscopy, Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) measurements, and scanning electron microscopy (SEM) were used to characterize these coatings, which indicates that the sodium tartrate is a suitable medium for the ECP of o-toluidine and it occurs without noticeable dissolution of LCS. Corrosion protection properties of the POT coatings were evaluated in aqueous 3\% NaCl by the potentiodynamic polarization measurements and CV. The result of the potentiodynamic polarization demonstrates that the POT coating has ability to protect the LCS against corrosion. The corrosion potential was about 334 mV more positive in aqueous 3\% NaCl for the POT-coated LCS than that of bare LCS and reduces the corrosion rate of LCS almost by a factor of 50. (c) 2005 Wiley Periodicals, Inc.

}, keywords = {conducting polymers, Corrosion resistant coatings, cyclic voltarnmetry, Electrochemical polymerization, FT-IR, Poly(o-toluidine), UV-vis spectroscopy}, issn = {0021-8995}, doi = {10.1002/app.21497}, author = {Shinde, V. and Sainkar, S. R. and Patil, P. P.} } @article { ISI:000227833600003, title = {Enantioselective synthesis of (S)-alpha-arylpropionic acids via pd-catalyzed kinetic resolution of benzylic alcohols}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {44}, number = {3}, year = {2005}, month = {MAR}, pages = {557-562}, publisher = {NATL INST SCIENCE COMMUNICATION}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

A convenient synthetic route for the synthesis of three (S)-alpha-propionic acids, (S)-naproxen (90\% ee), (S)-ibuprofen (82\% ee) and (S)-phenylpropioilic acid (92\% ee) is described. Pd-catalyzed oxidative kinetic resolution of the corresponding benzylic alcohols is used as a key step to introduce stereogenicity into the molecule.

}, issn = {0376-4699}, author = {Thakur, V. V. and Sudalai, A.} } @article { ISI:000227710300073, title = {Enhanced selectivity to decalin in naphthalene hydrogenation under supercritical carbon dioxide}, journal = {Chemistry Letters}, volume = {34}, number = {3}, year = {2005}, month = {MAR}, pages = {424-425}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

A charcoal-supported rhodium catalyst was highly active and selective to decalin for the hydrogenation of naphthalene at very low temperature (333 K) under supercritical carbon dioxide.

}, issn = {0366-7022}, doi = {10.1246/cl.2005.424}, author = {Hiyoshi, Norihito and Miura, R. and Rode, C. V. and Sato, O. and Shirai, M.} } @article { ISI:000232737900002, title = {Enzymatic hydrolysis of delignified bagasse polysaccharides}, journal = {Carbohydrate Polymers}, volume = {62}, number = {1}, year = {2005}, month = {OCT}, pages = {6-10}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Sugarcane bagasse, consisting of cellulose, xylan, and lignin, was chemically treated to generate bagasse samples with continuously decreasing content of lignin. These bagasse samples were hydrolyzed by cellulase and xylanase enzymes, produced earlier by Penicillium janthinellum NCIM 1171 in the same bagasse polysaccharides production medium. The hydrolysis was carried out by using different concentrations of the enzymes at two different temperatures, 30 and 50 degrees C, taking hydrolysis of Avicel as control. It was found that while the maximum hydrolysis for Avicel was 70\% that of some of the bagasse polysaccharides was as high as 95\%. The products of hydrolysis were glucose, xylose, and arabinose, as confirmed by high pressure ion chromatography (HPIC). It is interesting to note that arabinose, which constitutes about 10\% of the weight of bagasse xylan, could also be released easily by the enzymes. Also, the initial rates of hydrolysis was found to be much higher for the bagasse polysaccharides, and in some cases about 90\% of the hydrolysis occurred within 20 h. Amongst all bagasse samples, the sample with (Kappa no. 1.2, lignin content 0.18\%) gave the highest degree of hydrolysis at 50 degrees C. Even the bagasse polysaccharide with Kappa no. 16.8 (lignin content 2.5\%) underwent greater extent of hydrolysis than Avicel. Apparently, the delignified bagasse medium appears to be a facile medium for the combined hydrolytic action of the cellulase and xylanase enzymes. Considering that sugarcane bagasse is a waste biomass material available in abundance annually, this methodology can be used to value-add to this biomass to produce sugars, which can be fermented to produce biofuels like ethanol. (C) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {bagasse polysaccharides, Cellulase, chemical treatment, Enzymatic hydrolysis, Penicillium janthinellum, Sugarcane bagasse, Xylanase}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2005.07.010}, author = {Adsul, Mukund G. and Ghule, J. E. and Shaikh, H. and Singh, R. and Bastawade, Kulbhushan B. and Gokhale, D. V. and Varma, Anjanikumar} } @article { ISI:000231661800013, title = {Expeditious convergent synthesis of a dibromotyrosine alkaloid inhibitor of mycothiol-S-conjugate amidase}, journal = {Tetrahedron Letters}, volume = {46}, number = {38}, year = {2005}, month = {SEP}, pages = {6461-6463}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A quick, economic synthesis of the alkaloid 1, an inhibitor of mycothiol-S-conjugate amidase (MCA) is reported. Starting from low-cost, commercially available 4-hydroxybenzaldehyde, the nine-step synthesis involved dibromination and coupling with N-acetylglycine to give a stable methyloxazole intermediate 5 which was hydrolyzed, oximated and coupled to agmatine to yield the oxime in -30\% overall yield. It was not necessary to protect the oxime in the synthetic sequence thereby circumventing a deprotection step. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {4-hydroxybenzaldehyde, marine alkaloid, mycothiol-S-conjugate amidase}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.07.109}, author = {Chanda, B. M. and Sulake, R. S.} } @article { ISI:000229118100006, title = {Extracellular biosynthesis of bimetallic Au-Ag alloy nanoparticles}, journal = {Small}, volume = {1}, number = {5}, year = {2005}, month = {MAY}, pages = {517-520}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, keywords = {alloys, Biosynthesis, composites, enzymes, Nanoparticles}, issn = {1613-6810}, doi = {10.1002/smll.200400053}, author = {Senapati, S. and Ahmad, Absar and Khan, Mohammad Islam and Sastry, M. and Kumar, R.} } @article { ISI:000225723800036, title = {Extracellular nuclease from a thermophile, streptomyces thermonitrificans: production, purification and partial characterization of - double strand preferential - deoxyribonuclease activity}, journal = {Process Biochemistry}, volume = {40}, number = {3-4}, year = {2005}, month = {MAR}, pages = {1271-1278}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A thermophilic strain of Streptomyces themionitrificans produced high levels of extracellular nuclease (designated as nuclease Stn beta) when grown on nutrient broth glucose medium. Maximal nuclease activity (51 U ml(-1)) was obtained, in 40 h, when the culture was grown on modified NBG medium at 45 degreesC. The enzyme was purified to homogeneity with an overall recovery of 5.6\% and a specific activity of 10,833. The relative molecular mass of the purified enzyme, determined by gel filtration, was 22.4 kDa and it showed an obligate requirement for Mn2+ for activity. The optimum pH and temperature of nuclease Stn beta were 8.0 and 45 degreesC, respectively. The enzyme was inhibited by Mg2+ CO2+, Cu2+, Zn2+ and Hg2+, inorganic phosphate, pyrophosphate, dithiothreitol, beta-mereaptoethanol, EDTA and NaCl. Nuclease Stn beta was stable to high concentrations of urea and organic solvents but susceptible to low concentrations of SDS and guanidine hydrochloride. Nuclease Stn beta is a multifunctional enzyme with substrate specificity in the order of dsDNA \> ssDNA much greater than RNA. The end products of dsDNA hydrolysis were predominantly oligonucleotides (85-90\%) and small amounts of 5{\textquoteright} mononucleotides (10-15\%) suggesting an endo mode of action. (C) 2004 Elsevier Ltd. All rights reserved.

}, keywords = {Characterization, Endonuclease, extracellular nuclease, production, Purification, Streptomyces thermonitrificans}, issn = {1359-5113}, doi = {10.1016/j.procbio.2004.05.015}, author = {Patil, N. S. and Deshmukh, Satej S. and Shankar, V.} } @article { ISI:000205747600006, title = {Extra-/intracellular biosynthesis of gold nanoparticles by an alkalotolerant fungus, trichothecium sp.}, journal = {Journal of Biomedical Nanotechnology}, volume = {1}, number = {1}, year = {2005}, month = {MAR}, pages = {47-53}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

The development of reliable, eco-friendly processes for the synthesis of nanoscale materials is an important aspect of nanotechnology. As part of our ongoing investigation into the use of fungi for nanoparticle synthesis, we report herein that depending on the reaction conditions of the fungus Trichothecium sp. with aqueous gold ions, gold nanoparticle synthesis can be controlled to occur either within the biomass or extracellularly. Moreover, we have found that reaction of gold ions with the Trichothecium sp. fungal biomass under stationary conditions results in the rapid extracellular formation of gold nanoparticles of spherical, rod-like and triangular morphology whereas reaction of the biomass under shaking conditions resulted in intracellular growth of the nanoparticles. It is believed that on changing the reaction conditions of the fungus with gold ions, the enzymes and proteins which are being released into the medium under stationary conditions do not get released under shaking conditions resulting in the formation of extracellular or intracellular gold nanoparticles respectively. The gold nanoparticles are not toxic to the cells and the cells continued to grow after the biosynthesis of the gold nanoparticles in both the cases.

}, keywords = {Biosynthesis, enzymes, Fungus, Gold, Morphology Control, Nanoparticles}, issn = {1550-7033}, doi = {10.1166/jbn.2005.012}, author = {Ahmad, Absar and Senapati, Satyajyoti and Khan, Mohammad Islam and Kumar, Rajiv and Sastry, Murali} } @article { ISI:000233214300008, title = {Facile direct conversion of aldehydes to esters and amides using acetone cyanohydrin}, journal = {Tetrahedron Letters}, volume = {46}, number = {48}, year = {2005}, month = {NOV}, pages = {8303-8306}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Aromatic aldehydes with electron-withdrawing groups undergo rapid reactions with a variety of alcohols and secondary amines to afford the corresponding esters and amides, respectively, in high yields, when treated with NaCN or acetone cyanohydrin and base under ambient reaction conditions. In case of alpha,beta-unsaturated aldehydes, simultaneous reduction of the C=C bond along with esterification occurred to produce the saturated esters in high yields. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {amidation, esteritication, reduction, sodium cyanide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.09.173}, author = {Raj, I. V. P. and Sudalai, A.} } @article { ISI:000226532100006, title = {Factors affecting activation and utilization of carbon dioxide in cyclic carbonates synthesis over Cu and Mn peraza macrocyclic complexes}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {226}, number = {2}, year = {2005}, month = {FEB}, pages = {199-205}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The catalytic activities of several Cu and Mn aza complexes for cyclic carbonate synthesis from CO2 and epoxides are reported. The various factors affecting activation of CO2 by metal complexes and its utilization in cyclic carbonate synthesis have been investigated. Fr-IR, UV-vis and EPR spectroscopic investigations reveal that CO2 coordinates to Cu in eta(1)-C mode of coordination. Nature of the ligand and substitution influence the lability of metal-CO2 bonding. The differences in the catalytic activities are correlated with the mode and strength of CO2 binding. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {benign synthesis, Carbon dioxide, catalysis by Cu and Mn complexes, CO2 activation, CO2 fixation, CO2 utilization, cyclic carbonates, polycarbonates, spectroscopy}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.10.034}, author = {Srivastava, R. and Bennur, T. H. and Srinivas, D.} } @article { ISI:000227158100004, title = {Formation of BaCrO4 nano crystallites within thermally evaporated sodium bis-2-ethylhexyl-sulfosuccinate and stearic acid thin films}, journal = {Journal of the American Ceramic Society}, volume = {88}, number = {1}, year = {2005}, month = {JAN}, pages = {24-27}, publisher = {AMER CERAMIC SOC}, type = {Article}, address = {735 CERAMIC PLACE, PO BOX 6136, WESTERVILLE, OH 43086-6136 USA}, abstract = {

This paper describes the growth of barium chromate (BaCrO4) nanocrystallites within thermally evaporated thin films of stearic acid (StA) and sodium bis-2-ethylhexyl-sulfosuccinate by a process of Ba2+ ion entrapment followed by in situ reaction CrO42- ions. Dense spherical assemblies of BaCrO4 nanocrystallites of very uniform size (similar to50 nm) were obtained within the two different host matrices. The spherical assemblies were composed of smaller (ca. 5-10 nm size) BaCrO4 crystals indicating that efficient size control over crystal size may be exercised by the matrix. Contact angle measurements of the BaCrO4-StA and BaCrO4-sodium bis-2-ethylhexyl-sulfosuccinate films indicated that they were hydrophobic, thus pointing to the possible role of hydrophobic interaction between the StA and sodium bis-2-ethylhexyl-sulfosuccinate monolayer-covered BaCrO4 crystals in the assembly process.

}, issn = {0002-7820}, doi = {10.1111/j..1551-2916}, author = {Rautaray, D. and Sinha, K. and Sainkar, S. R. and Pasricha, R. and Pavaskar, N. R. and Sastry, M.} } @article { ISI:000232815700010, title = {Formation of nanosized zirconia-supported 12-tungstophosphoric acid in mesoporous silica SBA-15: a stable and versatile solid acid catalyst for benzylation of phenol}, journal = {Journal of Catalysis}, volume = {235}, number = {2}, year = {2005}, month = {OCT}, pages = {341-352}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

A nanosized zirconia-supported 12-tungstophosphoric acid (TPA) in SBA-15 composite was prepared by wet impregnation of TPA/ZrO2 nanoparticles inside the mesoporous channels of SBA-15. The resulting composite material was calcined at 1123 K and characterized by elemental analysis, powder X-ray diffraction, nitrogen adsorption isotherms, transmission electron microscopy (TEM), scanning electron microscopy (SEM), solid-state P-31 CP-MAS NMR, Si-29 MAS NMR, UV-vis diffuse reflectance spectra, FTIR, TPD of ammonia, FTIR pyridine adsorption, and thermogravimetric analysis (TG-DTG). The synthesized TPA/ZrO2/SBA-15 showed a well-ordered hexagonal inesoporous structure and mesoporous support SBA-15 stabilized ZrO2-t (tetragonal) phase with crystal size in the range of 3-4 nm. SBA-15 was a better support than MCM-41 and MCM-48 because it retained its mesostructure even after high TPA loading and high calcination temperatures. Mesoporous silica support plays an important role in stabilizing the catalytically active tetragonal phase of zirconia, which gave the most active catalysts. The catalysts were examined for their catalytic activities in the liquid phase benzylation of phenol with benzyl alcohol and the catalyst 15 wt\% TPA/ 22.4 wt\% ZrO2/SBA-15 calcined at 1123 K was found to have high acidity and to be 10 times more active than neat TPA/ZrO2 Under the reaction conditions studied in benzylation of phenol. (c) 2005 Elsevier Inc. All rights reserved.

}, keywords = {nanosized, phenol benzylation reaction, terragonal phase, TPA/ZrO2}, issn = {0021-9517}, doi = {10.1016/j.jcat.2005.08.010}, author = {Sawant, D. P. and Vinu, A. and Jacob, Nalini E. and Lefebvre, F. and Halligudi, Shivappa B.} } @article { ISI:000233789900025, title = {Free-standing nanogold membranes as supports for the growth of calcium phosphate crystals}, journal = {Biotechnology Progress}, volume = {21}, number = {6}, year = {2005}, month = {NOV}, pages = {1759-1767}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Current strategies for bone tissue regeneration focus on the development of implantable matrices that mimic biological tissues. Inorganic composites are of special interest for bone substitute applications. It is necessary to create an artificial three-dimensional scaffold-like porous material with certain geometrical structure to induce bone growth. We report here the growth of calcium phosphate crystals on free-standing carboxylic acid functionalized gold nanoparticle membranes. The gold nanoparticle membrane is synthesized by the spontaneous reduction of aqueous chloroaurate ions by a diamine molecule at a liquid-liquid interface. This membrane is robust and malleable, and most importantly, the gold nanoparticles in the membrane may be functionalized with suitable ligands. In this study, the amino acids aspartic acid and cysteine together with an aromatic bifunctional molecule, anthranilic acid, were used to modify the surface of the gold nanoparticles in the membrane. The free carboxylic acid groups on the gold nanoparticles further to functionalization with these molecules were then used to bind Ca2+ ions and reacted with phosphate ions to yield calcium phosphate. The nature of the nanogold surface modifier directed the formation of either crystalline hydroxyapatite or amorphous calcium phosphate. The nanogold membrane thus suggests potential biomedical application as biocompatible implants and grafts.

}, issn = {8756-7938}, doi = {10.1021/bp050144n}, author = {Rautaray, D and Sastry, M} } @article { ISI:000230286900008, title = {Fungus-mediated biosynthesis of silica and titania particles}, journal = {Journal of Materials Chemistry}, volume = {15}, number = {26}, year = {2005}, month = {MAY}, pages = {2583-2589}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The synthesis of inorganic materials by biological systems is characterized by processes that occur at close to ambient temperatures, pressures and neutral pH. This is exemplified by biosilicification in marine organisms such as diatoms while laboratory-based synthesis of silica involves extreme temperature and pH conditions. We show here that silica and titania particles may be produced by challenging the fungus Fusarium oxysporum with aqueous anionic complexes SiF62- and TiF62- respectively. Extra-cellular protein-mediated hydrolysis of the anionic complexes results in the facile room temperature synthesis of crystalline titania particles while calcination at 300 degrees C is required for crystallization of silica.

}, issn = {0959-9428}, doi = {10.1039/b503008k}, author = {Bansal, Vipul and Rautaray, D. and Bharde, Atul A. and Ahire, Kedar C. and Sanyal, A. and Ahmad, Absar and Sastry, Murali} } @article { ISI:000228094400009, title = {Gene expression patterns of helicoverpa armigera gut proteases}, journal = {Insect Biochemistry and Molecular Biology}, volume = {35}, number = {4}, year = {2005}, month = {APR}, pages = {355-367}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Relative quantification of reported gut proteinase cDNAs from Helicoverpa armigera larvae fed on various host plants (cotton, chickpea, pigeonpea, tomato and okra), non-host plant Pis (winged bean, bitter gourd, ground nut, and capsicum) and during larval development has been carried out using semi-quantitative RT-PCR. Five trypsin-like and three chymotrypsin-like proteinases were categorized as insensitive or sensitive to most of the proteinase inhibitors (Pis) and insensitive/sensitive to specific Pis based on their expression analysis. These results were supported by amino acid sequence analysis, where diverged amino acids were observed in the regions, which are reported to be involved in typical trypsin trypsin inhibitor interactions and critical for proteinase inhibitor resistance. Among exopeptidases (five aminopeptidase and three carboxypeptidase), HaAmi4 and HaAmi5 of aminopeptidase and HaCar1 of carboxypeptidase exhibited considerable differential expression. Elastase and cathepsin B-like proteinases were expressed at negligible levels. The proteases identified in the study would be ideal candidates for further interactions studies with protease inhibitors to understand the structural reasons of protease inhibitor insensitivity (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {expression, gut proteinases, Helicoverpa armigera, Proteinase inhibitors, RT-PCR}, issn = {0965-1748}, doi = {10.1016/j.ibmb.2005.01.006}, author = {Chougule, Nanasaheb P. and Giri, Ashok P. and Sainani, Mohini N. and Gupta, Vidya S.} } @article { ISI:000230485700031, title = {General formalism of the Fock space multireference coupled cluster method for investigating molecular electronic resonances}, journal = {Molecular Physics}, volume = {103}, number = {15-16}, year = {2005}, month = {AUG}, pages = {2267-2275}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Electron correlation and relaxation effects play a substantial role in the formation and decay of resonance states. In this paper we formulate a complex absorbing potential combined with the Fock space multireference coupled cluster method for the correlated calculations of resonance energy and width. This can describe the dynamic and non-dynamic electron correlation efficiently in the ionized or electron attached states.

}, keywords = {electronic resonances, Fock space multireference coupled cluster method}, issn = {0026-8976}, doi = {10.1080/00268970500084158}, author = {Sajeev, Y and Pal, S} } @article { ISI:000231389200051, title = {Gold nanoparticle networks with photoresponsive interparticle spacings}, journal = {Langmuir}, volume = {21}, number = {17}, year = {2005}, month = {AUG}, pages = {7979-7984}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Photoresponsive gold nanoparticle networks were prepared by functionalizing them with azobenzene derivatives. A network can be formed when a linker molecule constituting the azobenzene moiety suitably derivatized on either side with gold surface sensitive groups such as thiols and amines is added to the nanoparticle solution. It is shown that the interparticle spacing in the networks could be controlled by the reversible trans-cis isomerization of the azobenzene moiety induced by UV and visible light, respectively. The photoinduced variation in the interparticle spacings is inferred by the changes in the optical spectra of the gold nanoparticles which display a red or blue shift in the surface plasmon resonance peak depending on a decrease or increase in the interparticle spacing, respectively. Transmission electron microscopy images are in consonance with the evidence from the optical spectra.

}, issn = {0743-7463}, doi = {10.1021/la051125q}, author = {Sidhaye, D. S. and Kashyap, Sudhir and Sastry, M. and Hotha, Srinivas and Bhagavatula L. V. Prasad} } @article { ISI:000228531500004, title = {Gold nanotriangles biologically synthesized using tamarind leaf extract and potential application in vapor sensing}, journal = {Synthesis and Reactivity in Inorganic Metal-Organic and Nano-Metal Chemistry}, volume = {35}, number = {1}, year = {2005}, month = {FEB}, pages = {19-26}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

The size and shape dependent electronic and chemical properties of metal nanoparticles has drawn the attention of chemists, physicists, biologists, and engineers who wish to use them for the development of new generation nanodevices. In this article, we report the synthesis of gold nanotriangles using tamarind leaf extract as the reducing agent. On treating aqueous chloroauric acid solution with tamarind leaf extract, rapid reduction of the chloroaurate ions is observed leading to the formation of flat and thin single crystalline gold nanotriangles. Atomic force microscopy analysis of the gold nanotriangles indicated that they ranged in thickness from 20 to 40 nm. These gold nanotriangles with unique and highly anisotropic planer shapes might find application in photonics, optoelectronics, and optical sensing. We investigated the effect of different organic solvent vapors like methanol, benzene and acetone on the conductivity of tamarind leaf extract reduced gold nanotriangles. I-V characteristics measurement of these nanotriangles was done in presence of these organic solvent vapors. The observed characteristics suggest the application of gold nanotriangles to future chemical sensors.

}, keywords = {Biosynthesis, gold nanotriangles, tamarind leaf, vapor sensing}, issn = {1553-3174}, doi = {10.1081/SIM-200047527}, author = {Ankamwar, Balaprasad and Chaudhary, M and Sastry, M} } @article { ISI:000226545600002, title = {Green nanocomposites from renewable resources: effect of plasticizer on the structure and material properties of clay-filled starch}, journal = {Starch-Starke}, volume = {57}, number = {1}, year = {2005}, month = {JAN}, pages = {8-15}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Nanocomposites of starch were prepared via different addition sequences of plasticizer and clay by the solution method. The extent of dispersion of the filler was evaluated by wide angle X-ray diffractometry (WAXD) in the resulting composites. Thermal stability, mechanical properties and water absorption studies were conducted to measure the material properties whereas FT-IR spectroscopy was used to study the microdomain structure of composites. The sequence of addition of components (starch/plasticizer (glycerol)/clay) had a significant effect on the nature of composites formed and accordingly properties were altered. Glycerol and starch both have the tendency to penetrate into the silicate layers but penetration of glycerol is favored owing to its smaller molecule size. The filler dispersion becomes highly heterogeneous and the product becomes more brittle when starch was plasticized before filling with clay due to the formation of a bulky structure resulting from electrostatic attractions between starch and plasticizer. It was concluded that best mechanical properties can be obtained if plasticizer is added after mixing of clay in the starch matrix.

}, keywords = {clay-filled starch, effect of plasticizer, Nanocomposites, WAXD}, issn = {0038-9056}, doi = {10.1002/star.200400313}, author = {Pandey, JK and Singh, RP} } @article { ISI:000230823200014, title = {Growth of PbS nanopyramidal particulate films for potential applications in quantum-dot photovoltaics and nanoantennas}, journal = {Materials Research Bulletin }, volume = {40}, number = {8}, year = {2005}, month = {AUG}, pages = {1353-1360}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We report a simple interfacial process called the liquid-liquid interface reaction technique (LLIRT) that leads to the formation of nanosized PbS particulate films with hitherto unreported pyramidal morphology. The resultant PbS films were characterized by transmission electron microscopy (TEM) with selected area electron diffraction (SAED), X-ray diffractometery (XRD), atomic force microscopy (AFM), near field scanning optical microscopy (NSOM) and UV-vis spectroscopy. The pyramidal morphology is speculated to originate from the preferred orientation of the 2 2 0 plane of cubic PbS. Our nanopyramidal PbS particulate films display remarkably sharp excitonic peak centered around 656 nm that accounts for a band gap of 1.8 eV suggesting, in turn, their potential application in QD photovoltaics. Interestingly, the feasibility of such nanopyramids to potentially act as nanoantennas (as revealed by the NSOM) is also suggested. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Atomic force microscopy, Chemical synthesis, Electron microscopy, Nanostructures, Optical properties}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2005.04.018}, author = {Hawaldar, Ranjit R. and Mulik, Uttam P. and Patil, K. and Pasricha, R. and Sathaye, S. and Lewis, A. and Amalnerkar, Dinesh P.} } @article { ISI:000230839600024, title = {Heavy-metal remediation by a fungus as a means of production of lead and cadmium carbonate crystals}, journal = {Langmuir}, volume = {21}, number = {16}, year = {2005}, month = {AUG}, pages = {7220-7224}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We show here that reaction of the fungus, Fusarium oxysporum, with the aqueous heavy-metal ions Pb2+ and Cd2+ results in the one-step formation of the corresponding metal carbonates. The metal carbonates are formed by reaction of the heavy-metal ions with CO2 produced by the fungus during metabolism and thus provide a completely biological method for production of crystals of metal carbonates. The PbCO3 and CdCO3 crystals thus produced have interesting morphologies that are shown to arise because of interaction of the growing crystals with specific proteins secreted by the fungus during reaction. An additional advantage of this approach is that the reaction leads to detoxification of the aqueous solution and could have immense potential for bioremediation of heavy metals. Under conditions of this study, the metal ions are not toxic to the fungus, which readily grows after exposure to the metal ions.

}, issn = {0743-7463}, doi = {10.1021/la047132g}, author = {Sanyal, A. and Rautaray, D. and Bansal, Vipul and Ahmad, Absar and Sastry, Murali} } @conference { ISI:000227460600024, title = {High magnetic aspects of nanosized NiZn ferrite powders synthesized by an autocombustion method}, booktitle = {9th International Conference on Ferrites (ICF-9)}, year = {2005}, note = {9th International Conference on Ferrites (ICF-9), San Francisco, CA, AUG 22-27, 2004}, month = {AUG}, pages = {149-154}, publisher = {Amer Ceramic Soc, 735 Ceramic Place, Westerville, OH 43081-8720 USA}, organization = {Amer Ceramic Soc, 735 Ceramic Place, Westerville, OH 43081-8720 USA}, address = {San Francisco, CA}, abstract = {

Nanocrystalline NiZn ferrite, Ni0.5Zn0.5Fe2O4, having particle size in the range 6-10 mn, has been synthesized by an auto-combustion method. The nanosized ferrite powder formed at a low temperature is annealed at different temperatures in the range 473-1273 K and characterized by X-ray diffraction, vibrating sample magnetometry, Mossbauer spectroscopy, transmission electron microscopy and scanning electron microscopy. Magnetic transition temperature broadening up to 773 K is observed for the nanosized sample, compared to the T-c = 563 K for the bulk material. Critical particle diameter (D-c) is found to be similar to 40 nm at which maximum coercivity is obtained for the powder sample annealed at 973 K. Similarly, high room temperature magnetization, comparable to that of the bulk material, is obtained for the powders annealed at 1073 K, with a maximum particle size of similar to 50 nm. Very little grain growth is observed for the powders annealed above 1073 K. The results show that, optimum magnetic properties can be achieved for fine particle NiZn ferrite powders synthesized by a low-temperature auto-combustion method and processed at relatively lower temperatures.

}, isbn = {1-57498-218-4}, author = {Deka, Sasanka and Date, Sadgopal K. and Joy, Pattayil Alias}, editor = {Soohoo, R. F.} } @article { ISI:000233684200006, title = {Higher accumulation of proteinase inhibitors in flowers than leaves and fruits as a possible basis for differential feeding preference of Helicoverpa armigera on tomato (Lycopersicon esculentum Mill, Cv. Dhanashree)}, journal = {Phytochemistry}, volume = {66}, number = {22}, year = {2005}, month = {NOV}, pages = {2659-2667}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Tomato (Lycopersicon esculentum, Mill; cultivar- Dhanashree) proteinase inhibitors (Pis) were tested for their trypsin inhibitory (TT) and Helicoverpa armigera gut proteinases inhibitory (HGPI) activity in different organs of the tomato plants. Analysis of TI and HGPI distribution in various parts of the plant showed that flowers accumulated about 300 and 1000 times higher levels of TI while 700 and 400 times higher levels of HGPI as compared to those in leaves and fruits, respectively. Field observation that H. armigera larvae infest leaves and fruits but not the flowers could be at least partially attributed to the protective role-played by the higher levels of Pis in the flower tissue. Tomato Pis inhibited about 50-80\% HGP activity of H. armigera larvae feeding on various host plants including tomato, of larvae exposed to non-host plant Pis and of various larval instars. Tomato Pis were found to be highly stable to insect proteinases wherein incubation of inhibitor with HGP even for 3 h at optimum conditions did not affect inhibitory activity. Bioassay using H. armigera larvae fed on artificial diet containing tomato PIs revealed adverse effect on larval growth, pupae development, adult formation and fecundity. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {accumulation of PI, Helicoverpa armigera, Lycopersicon esculentum, Midgut proteinases, Plant defense, Proteinase inhibitors}, issn = {0031-9422}, doi = {10.1016/j.phystochem.2005.09.006}, author = {Damle, M. S. and Giri, Ashok P. and Sainani, Mohini N. and Gupta, Vidya S.} } @article { ISI:000227509900026, title = {Highly active new alpha-diimine nickel catalyst for the polymerization of alpha-olefins}, journal = {Journal of Organometallic Chemistry}, volume = {690}, number = {5}, year = {2005}, month = {MAR}, pages = {1314-1323}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A new silylated alpha-diimine ligand, bis[N,N {\textquoteleft}-(4-tert-butyl-diphenylsilyl-2,6-diisopropylphenyl)imino]acenaphthene 3, and its corresponding Ni(II) complex, {bis[N,N {\textquoteleft}-(4-tert-butyl-diphenylsilyl-2,6-diisopropylphenyl)imino]acenaphthene} dibromonickel 4, have been synthesized and characterized. The crystal structures of 3 and 4 were determined by X-ray crystallography. In the solid state, complex 4 is a dimer with two bridging Br ligands linking the two nickel centers, which have square pyramidal geometries. Complex 4, activated either by diethylaluminum chloride (DEAC) or methylaluminoxane (MAO) produces very active catalyst systems for the polymerization of ethylene and moderately active for the polymerization of propylene. The activity values are in the order of magnitude of 10(7) g PE (mol Ni [E] h)(-1) for the polymerization of ethylene and of 10(5) g PP (mol Ni [P] h)(-1) for the polymerization of propylene. NMR analysis shows that branched polyethylenes (PE) are obtained at room or higher temperatures and almost linear PE is obtained at 0 degrees C with 4/DEAC. (c) 2004 Elsevier B.V. All rights reserved.

}, keywords = {alpha-diimine nickel complex, Ethylene polymerization, late transition-metal, propylene polymerization}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2004.11.046}, author = {Liu, Hua-Rong and Gomes, P. T. and Costa, S. I. and Duarte, M. T. and Branquinho, R. and Fernandes, A. C. and Chien, J. C. W. and Singh, R. P. and Marques, Maria M.} } @article { ISI:000227893300004, title = {Hollow gold and platinum nanoparticles by a transmetallation reaction in an organic solution}, journal = {Chemical Communications}, number = {13}, year = {2005}, month = {FEB}, pages = {1684-1686}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {Transmetallation reaction between hydrophobized silver nanoparticles with hydrophobized chloroaurate and chloroplatinate ions in chloroform results in the formation of hollow gold and platinum shell nanoparticles respectively.}, issn = {1359-7345}, doi = {10.1039/b418566h}, author = {Selvakannan, PR and Sastry, M} } @article { ISI:000226504900012, title = {Hydrogen peroxide formation in the interaction of oxygen with boron-containing Pd catalysts prereduced by hydrazine in aqueous acidic medium containing bromide anions}, journal = {Catalysis Letters}, volume = {99}, number = {1-2}, year = {2005}, month = {JAN}, pages = {79-81}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

Interaction of molecular oxygen with Pd/BPO4 or ZrO2 (or Al2O3, CeO2, TiO2) - B2O3 catalysts, prereduced by hydrazine hydrate, in an aqueous acidic (H2SO4 or H3PO4) reaction medium containing bromide ions leads to the formation of H2O2. However, in the absence of boron in the catalyst and also in the absence of acid and/or bromide ions in the reaction medium, almost no H2O2 is formed.

}, keywords = {boron-containing Pd catalysts, Hydrogen peroxide, oxygen-catalyst interactions}, issn = {1011-372X}, doi = {10.1007/s10562-004-0779-z}, author = {Choudhary, Vasant R. and Samanta, C.} } @article { ISI:000227321900006, title = {Hydrophobically modified poly(acrylic acid) using 3-pentadecylcyclohexylamine: synthesis and rheology}, journal = {Macromolecular Chemistry and Physics}, volume = {206}, number = {4}, year = {2005}, month = {FEB}, pages = {464-472}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Hydrophobically modified poly(acrylic acid) was synthesized using 3-pentadecylcyclohexylamine (3-PDCA), which was in turn synthesized from 3-pentadecylphenol, one of the components of cashew-nut shell liquid (CNSL), a renewable resource material. H-1 NMR spectra confirmed the incorporation of 3-PDCA onto PAA and a series of HMPs with three different molar concentrations, viz. congruent to 3, 5 and 7 mol-\% of 3-PDCA, were synthesized. An increase in viscosity with increasing hydrophobic content was observed by rheological measurements. The critical association concentrations were determined using an Ubbelohde viscometer and a controlled stress rheometer. The stability of HMPs towards temperature and shear was studied. Rheological measurements showed that there was a steady increase in viscosity with increase in hydrophobe content due to the formation of reversible networks. These polymers exhibited gel-like behavior at low concentrations (greater than or equal to2 wt.-\%) with an apparent yield stress (ca. 10 Pa) and showed shear thinning properties (non-Newtonian). However, below a critical concentration, c [eta], they showed Newtonian behavior.

}, keywords = {3-pentadecylcyclohexylamine (3-PDCA), hydrophobically modified polymers (HMPs), poly(acrylic acid), reversible associations, Rheology}, issn = {1022-1352}, doi = {10.1002/macp.200400392}, author = {Shedge, A. S. and Lele, Ashish K. and Wadgaonkar, P. P. and Hourdet, Dominique and Pcrrin, P. and Chassenieux, Christophe and Badiger, Manohar V.} } @article { ISI:000231767400051, title = {Identical molecular strings woven differently by intermolecular interactions in dimorphs of myo-inositol 1,3,5-orthobenzoate}, journal = {Crystal Growth \& Design}, volume = {5}, number = {5}, year = {2005}, month = {SEP}, pages = {1977-1982}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

myo-Inositol 1,3,5-orthobenzoate exhibits polymorphic behavior depending upon the solvent and time allowed for crystallization. Long plates (form I, monoclinic P2(1)/n) are produced on crystallization from methanol, while crystallization from ethyl acetate mostly yielded squarish plates (form II, monoclinic P2(1)/c). The latter could also be obtained by achieving rapid nucleation from a supersaturated solution of methanol. Remarkably, the overall conformation of the individual molecules is very similar in both polymorphs, although free rotations were possible for the phenyl ring and for the three O-H groups. O-H center dot center dot center dot O linked one-dimensional isostructural molecular strings in the two forms weave differently by weak intermolecular interactions to produce the dimorphs. Striking difference is seen in the {\textquoteleft}{\textquoteleft}zipping{\textquoteright}{\textquoteright} of molecular layers via phenyl center dot center dot center dot phenyl contacts; thermodynamic crystals of form I utilize a well-recognized {\textquoteleft}{\textquoteleft}edge-to-face{\textquoteright}{\textquoteright} herringbone pattern, making C-H center dot center dot center dot pi interactions, whereas the kinetic crystals of form II show rather uncommon {\textquoteleft}{\textquoteleft}edge-to-edge{\textquoteright}{\textquoteright} organization, which makes short Ph-H center dot center dot center dot H-Ph contacts.

}, issn = {1528-7483}, doi = {10.1021/cg050272j}, author = {Bhosekar, Gaurav V. and Murali, Chebrolu and Gonnade, Rajesh G. and Shashidhar, M. S. and Bhadbhade, Mohan M.} } @article { ISI:000227629300008, title = {Illustration of HIV-1 protease folding through a molten-globule-like intermediate using an experimental model that implicates alpha-crystallin and calcium ions}, journal = {Biochemistry}, volume = {44}, number = {10}, year = {2005}, month = {MAR}, pages = {3725-3734}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The folding of HIV-1 protease to its active form involves the coordination of structure formation and dimerization, which follows a hierarchy consisting of folding nuclei spanning from the active site, hinge region, and dimerization domain. However, the biochemical characteristics of the folding intermediates of this protein remain to be elucidated. In an experimental model, the denaturation of the tethered dimer of HIV-1 protease by guanidine hydrochloride revealed an alternative conformation resembling the molten globule state. The molten-globule state binds to the molecular chaperone alpha-crystallin and prevents its aggregation; however, the chaperone alone failed to reconstitute HIV-1 protease into its active form. Calcium ion assisted in the release of active enzyme from the chaperone complex. alpha-crystallin, a member of the small heat-shock protein, assists proteins to fold correctly; however, the underlying principle of signals responsible for chaperone-mediated protein folding remains enigmatic. X-ray photoelectron spectroscopy has been employed to provide the evidence of calcium binding to alpha-crystallin and to decipher the effect of calcium binding on the chaperone-mediated refolding of HIV-1 protease. On the basis of our spectroscopic data, we propose that calcium ions interact with the carboxyl groups of the surface-exposed acidic amino acids of alpha-crystallin bringing electrostatic interference, which plays a pivotal role in inducing conformational changes in the chaperone responsible for the release of the active enzyme.

}, issn = {0006-2960}, doi = {10.1021/bi048378n}, author = {Dash, C and Sastry, M and Rao, M} } @conference { ISI:000230895600102, title = {Immobilized molybdovanadophosphoric acids on SBA-15 for selective oxidation of alkenes}, booktitle = {4th International Symposium on Nanoporous Materials}, series = {STUDIES IN SURFACE SCIENCE AND CATALYSIS}, volume = {156}, year = {2005}, note = {4th International Symposium on Nanoporous Materials, Niagara Falls, CANADA, JUN 07-10, 2005}, month = {JUN}, pages = {769-778}, publisher = {Elsevier Science BV, Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, organization = {Elsevier Science BV, Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, address = { Niagara Falls, Canada}, abstract = {

Vanadium substituted molybdophosphoric acids have been immobilized on amine functionalized SBA-15 and characterized by different techniques. Small angle X-ray scattering analysis and SEM technique provide evidence for the structural integrity of the samples. UV-Vis, NMR and IR data confirm the incorporation of molybdovanadophosphoric acids onto the amine functionalized SBA-15. The textural properties of these materials were studied by nitrogen sorption studies. Oxidation of cyclooctene and norbornene was carried out with oxidants in aqueous (aq. H2O2) and non-aqueous (TBHP extracted in dichloroethane) medium. The reactions were carried out with both the neat catalysts (homogeneous) and the immobilized catalysts (heterogenized) and the results were compared. The selectivity of the desired products was always \> 99\% with the immobilized catalyst with both aq.H2O2 and TBHP. However, while the leaching was negligible in the non-aqueous medium, the aqueous medium leads to considerable leaching. The immobilized catalysts could be separated after the reaction and the reusability of the catalyst has also been demonstrated especially with oxidant in the nonaqueous medium.

}, isbn = {0-444-51748-0}, issn = {0167-2991}, author = {Raj, N. K. K. and Deshpande, S. S. and Ingle, Rohit H. and Raja, T. and Manikandan, Palanichamy}, editor = {Sayari, A. and Jaroniec, M.} } @article { ISI:000234124500008, title = {Improved synthesis of an energetic material, 1,3,3-trinitroazetidine (TNAZ) exploiting 2-iodoxy benzoic acid (IBX) as an oxidising agent}, journal = {Indian Journal of Chemistry Section B - Organic Chemistry including Medicinal Chemistry}, volume = {44}, number = {12}, year = {2005}, month = {DEC}, pages = {2560-2563}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Tetrahydropyranyl protected 1,3-dihalo-2-propanol reacts with p-toluene sulfonamide in the presence of K2CO3 to give corresponding N-p-tosyl-3-azetidinol. Deprotection and oxidation with iodoxy benzoic acid followed by oximation of N-p-tosyl-3-azetidinone readily affords the corresponding azetidine oxime in almost quantitative yield. The subsequent oxidative nitrolysis of oxime gives 1,3,3-trinitroazetidine (TNAZ) through a new sequence of reactions with excellent purity (\> 99\%) and moderate yield (40\%).

}, keywords = {2-iodoxy benzoic acid, insensiive munitions, oxidative nitrolysis, oximination, strained ring, synthesis, trinitroazetidine}, issn = {0376-4699}, author = {Singh, A and Sikder, N and Sikder, AK} } @article { ISI:000225953600006, title = {In situ polymerization of ethylene with bis(imino)pyridine iron(II) catalysts supported on clay: the synthesis and characterization of polyethylene-clay nanocomposites}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {43}, number = {2}, year = {2005}, month = {JAN}, pages = {304-318}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Polyethylene-clay nanocomposites were synthesized by in situ polymerization with 2,6-bis[1-(2,6-diisopropylphenylimino)ethyl] pyridine iron(II) dichloride supported on a modified montmorillonite clay pretreated with methylaluminoxane (MAO). The catalysts and the obtained nanocomposites were examined with wide-angle X-ray scattering. The exfoliation of the clay was further established by transmission electron microscopy. Upon the treatment of the clay with MAO, there was an increase in the d-spacing of the clay galleries. No further increase in the d-spacing of the galleries was observed with the iron catalyst supported on the MAO-treated clay. The catalyst activity for ethylene polymerization was independent of the Al/Fe ratio. The exfoliation of the clay inside the polymer matrix depended on various parameters, such as the clay content, catalyst content, and Al/Fe ratio. The crystallinity percentage and crystallite size of the nanocomposites were affected by the degree of exfoliation of the clay. Moreover, when ethylene was polymerized with a mixture of the homogeneous iron(II) catalyst and clay, the degree of exfoliation was significantly lower than when the polymerization was performed with a preformed clay-supported catalyst. This observation suggested that in the supported catalyst, at least some of the active centers resided within the galleries of the clay. (C) 2004 Wiley Periodicals, Inc.

}, keywords = {clay, In situ polymerization, Nanocomposites, polyethylene (PE), TEM, WAXS}, issn = {0887-624X}, doi = {10.1002/pola.20502}, author = {Ray, S and Galgali, G and Lele, Arundhati C. and Sivaram, S} } @article { ISI:000227016500007, title = {In situ XPS investigations of Cu1-xNixZnAl-mixed metal oxide catalysts used in the oxidative steam reforming of bio-ethanol}, journal = {Applied Catalysis B - Environmental}, volume = {55}, number = {4}, year = {2005}, month = {FEB}, pages = {287-299}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of CuNiZnAl-multicomponent mixed metal oxide catalysts with various Cu/Ni ratios were prepared by the thermal decomposition of Cu1-xNixZnAl-hydrotalcite-like precursors and tested for oxidative steam reforming of bio-ethanol. Dehydrogenation of EtOH to CH3CHO is favored by Cu-rich catalyst. Introduction of Ni leads to C-C bond rupture and producing CO, CO2 and CH4. H-2 yield (selectivity) varied between 2.6-3.0 mol/mol of ethanol converted (50-55\%) for all catalysts at 300 degreesC. The above catalysts were subjected to in situ XPS studies to understand the nature of active species involved in the catalytic reaction. Core level and valence band XPS as well as Auger electron spectroscopy revealed the existence of Cu2+, Ni2+ and Zn2+ ions on calcined materials. Upon in situ reduction at reactions temperatures, the Cu2+ was fully reduced to Cu-0. while Ni2+ and Zn2+ were partially reduced to Ni-0 and Zn-0, respectively. On reduction, the nature of ZnO on Cu-rich catalyst changes from crystalline to amorphous, relatively inert and highly stabilized electronically. Relative concentration of the Ni-0 and Zn-0 increases upon reduction with decreasing Cu-content. Valence band results demonstrated that the overlap between 3d bands of Cu and Ni was marginal on calcined materials, and no overlap due to metallic clusters formation after reduction. Nonetheless, the density of states at Fermi level increases dramatically for Ni-rich catalysts and likely this influences the product selectivity. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {auger electron spectroscopy, Autothermal reforming, Bio-ethanol, copper oxide, fuel cell, Hydrogen, hydrotalcite, mixed metal oxides, nickel oxide, oxidative steam reforming, Steam reforming, XPS}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2004.09.007}, author = {Velu, S. and Suzuki, K. and Vijayaraj, M. and Barman, S. and Gopinath, Chinnakonda S.} } @article { ISI:000227632100007, title = {In vivo and in vitro effect of capsicum annum proteinase inhibitors on helicoverpa armigera gut proteinases}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1722}, number = {2}, year = {2005}, month = {MAR}, pages = {156-167}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Two proteinase inhibitors (PIs), CapA1 and CapA2, were purified from Capsicum annum Linn. Var. Phule Jyoti leaves and assessed for their in vitro and in vivo activity against Helicoverpa armigera gut proteinases (HGPs). Both the inhibitors exhibited molecular weights of about 12 kDa with inhibitory activity against bovine trypsin and chymotrypsin indicating presence of probable two-inhibitor repeats of PIN II family. CapA1 and CapA2 inhibited 60-80\% HGP (azocaseinolytic) activity of fourth instar larvae feeding on various host plants while 45-65\% inhibition of HGP activity of various instars (II to VI) larvae reared on artificial diet. The partial purification of HGP isoforms, their characterization with synthetic inhibitors and inhibition by C. annum PIs revealed that most of the trypsin-like activity (68-91\%) of HGPs was sensitive to C. annum PIs while 39-85\% chymotrypsin-like activity of HGPs was insensitive to these inhibitors. The feeding of C. annum leaf extracts and two purified PIs in various doses to H. armigera larvae for two successive generations through artificial diet demonstrated their potential in inhibiting larval growth and development, delay in pupation period and dramatic reduction in fecundity and fertility. This is the first report-demonstrating efficacy of C. annum PIs against insect gut proteinases as well as larval growth and development of H. armigera. (c) 2004 Elsevier B.V. All rights reserved.

}, keywords = {Capsicum annum, gut proteinase, Helicoverpa armigera, insect resistance, Proteinase inhibitor}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2004.12.017}, author = {Tamhane, V. A. and Chougule, Nanasaheb P. and Giri, Ashok P. and Dixit, A. R. and Sainani, Mohini N. and Gupta, Vidya S.} } @article { ISI:000232694100001, title = {Inactive enzymatic mutant proteins (phosphoglycerate mutase and enolase) as sugar binders for ribulose-1,5-bisphosphate regeneration reactors}, journal = {Microbial Cell Factories}, volume = {4}, year = {2005}, month = {FEB}, pages = {Article No. 5}, publisher = {BIOMED CENTRAL LTD}, type = {Article}, address = {MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND}, abstract = {

Background: Carbon dioxide fixation bioprocess in reactors necessitates recycling of D- ribulose1,5-bisphosphate (RuBP) for continuous operation. A radically new close loop of RuBP regenerating reactor design has been proposed that will harbor enzyme-complexes instead of purified enzymes. These reactors will need binders enabling selective capture and release of sugar and intermediate metabolites enabling specific conversions during regeneration. In the current manuscript we describe properties of proteins that will act as potential binders in RuBP regeneration reactors. Results: We demonstrate specific binding of 3-phosphoglycerate (3PGA) and 3-phosphoglyceraldehyde ( 3PGAL) from sugar mixtures by inactive mutant of yeast enzymes phosphoglycerate mutase and enolase. The reversibility in binding with respect to pH and EDTA has also been shown. No chemical conversion of incubated sugars or sugar intermediate metabolites were found by the inactive enzymatic proteins. The dissociation constants for sugar metabolites are in the micromolar range, both proteins showed lower dissociation constant (Kd) for 3-phosphoglycerate ( 655 - 796 mu M) compared to 3-phosphoglyceraldehyde ( 822 - 966 mu M) indicating higher affinity for 3PGA. The proteins did not show binding to glucose, sucrose or fructose within the sensitivity limits of detection. Phosphoglycerate mutase showed slightly lower stability on repeated use than enolase mutants. Conclusions: The sugar and their intermediate metabolite binders may have a useful role in RuBP regeneration reactors. The reversibility of binding with respect to changes in physicochemical factors and stability when subjected to repeated changes in these conditions are expected to make the mutant proteins candidates for in-situ removal of sugar intermediate metabolites for forward driving of specific reactions in enzyme-complex reactors.

}, issn = {1475-2859}, doi = {10.1186/1475-2859-4-5}, author = {De, Dinesh and Dutta, D. and Kundu, M. and Mahato, S. and Schiavone, M. T. and Chaudhuri, S. and Giri, Ashok P. and Gupta, Vidya and Bhattacharya, S. K.} } @article { ISI:000226728000011, title = {Increasing the sensitivity of 2D high-resolution NMR methods applied to quadrupolar nuclei}, journal = {Journal of Magnetic Resonance}, volume = {172}, number = {2}, year = {2005}, month = {FEB}, pages = {268-278}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Gan and Kwak recently proposed a soft-pulse added mixing (SPAM) idea in the classical two-pulse multiple-quantum magic-angle spinning scheme. In the SPAM method, a soft pi/2 pulse is added after the second hard-pulse (conversion pulse) and all coherence orders in between them are constructively used to obtain the signal. We, here, further extend this idea to distributed samples where the signal mainly results from echo pathways and that from anti-echo pathways dies Out after a few t(1) increments. We show that, with a combination of SPAM and collection of fewer anti-echoes, an enhancement of the signal to noise ratio by a factor of ca. 3 may be obtained over the z-filtered version. This may prove to be useful even for samples with long T{\textquoteright}(2) relaxation times. (C) 2004 Elsevier Inc. All rights reserved.

}, keywords = {high-resolution, quadrupolar nuclei, sensitivity, Solid-state NMR}, issn = {1090-7807}, doi = {10.1016/j.jmr.2004.11.001}, author = {Amoureux, J. P. and Delevoye, L. and Steuernagel, S. and Gan, Zhengting and Ganapathy, Subramanian and Montagne, L.} } @article { ISI:000226212200001, title = {Influence of process pressure on HW-CVD deposited a-Si : H films}, journal = {Solar Energy Materials and Solar Cells}, volume = {85}, number = {3}, year = {2005}, note = {2nd International Conference on Cat-CVD (Hot-Wire CVD) Process, DENVER, CO, SEP 10-14, 2002}, month = {JAN}, pages = {301-312}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Hydrogenated amorphous silicon (a-Si:H) films were deposited using pure silane (SiH4) without hydrogen dilution by hot wire chemical vapor deposition (HW-CVD) technique. The electrical, optical, and structural properties of these films are systematically studied as a function of process pressure (P-r). The device quality a-Si:H films with a photosensitivity \> 10(5) were deposited at a deposition rate \>40 Angstrom/s at low process pressure. However, a-Si:H films deposited at higher process pressures show degradation in their electrical and structural properties. The FTIR spectroscopic analysis showed that a-Si:H films deposited at low process pressure contain hydrogen mainly in mono-hydrogen (Si-H) configuration whereas films deposited at higher process pressure have hydrogen in di-hydrogen (Si-H-2) or poly hydrogen (SiH2)(n) complexes. The hydrogen content (C-H) in the films was found to be less than 4 at.\% over the entire range of process pressure studied. This indicates that the growth of a-Si:H films is mainly from the atomic species (Si and H) evaporated from the hot filament and hydrogen gets incorporated in the film via gas-phase reactions and substrate gas interactions. The band gap, however was found similar to1.71 eV or much higher. We attribute high band gap at low hydrogen content may be due to presence of microvoids. Raman spectroscopic analysis showed increase in structural disorder and Rayleigh scattering with increase in the process pressure. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {Electrical properties, FTIR spectroscopy, hot wire chemical vapor deposition, hydrogenated amorphous silicon, Raman spectroscopy}, issn = {0927-0248}, doi = {10.1016/j.solmat.2004.04.017}, author = {Jadkar, Sandesh R. and Sali, J. V. and Kshirsagar, S. T. and Takwale, M. G.} } @article { ISI:000231401000008, title = {Influence of silica source in the catalytic activity and heterogenity of mesoporous vanadosilicates}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {239}, number = {1-2}, year = {2005}, month = {SEP}, pages = {57-63}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Vanadium-substituted ordered mesoporous silicates (V-OMS) were synthesized hydrothermally using two common silica sources, viz. fumed silica and tetraethyl orthosilicate, and their surface properties and catalytic activities were evaluated in the liquid phase oxidation of 1-napthol using aqueous H2O2 as an oxidant. The catalysts were characterized by XRD, N-2, adsorption-desorption, DRUV-vis and TPR to evaluate the mesostructural ordering and the local environment of vanadium in the MCM-41 matrix. Characterization data of the fresh calcined catalysts reveal a more ordered hexagonal structure for the V-MCM-41 catalyst prepared by using tetraethyl orthosilicate as the silica source while spent catalyst showed that the material is less stable than the V-MCM-41 catalyst prepared by using fumed silica as the silica source. Further, the observed differences in the selectivity behavior of extracted and calcined forms of both vanadium catalysts shows that the treatment conditions had a decisive role in the formation of extra framework metal species and further in the mesoscopic structural ordering. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {1-napthol, MCM-41, Mesoporous, Oxidation, Vanadium}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.05.029}, author = {Shylesh, S. and Mirajkar, Subhash P. and Singh, A. P.} } @conference { ISI:000234827500072, title = {Influence of Sn- and Al- metal sources on post-synthesis modification of mesoporous SBA-15 molecular sieves}, booktitle = {3rd Conference of the Federation-of-European-Zeolite-Association}, series = {Studies in Surface Science and Catalysis}, volume = {158}, number = {A-B}, year = {2005}, note = {3rd Conference of the Federation-of-European-Zeolite-Association, Prague, CZECH REPUBLIC, AUG 23-29, 2005}, month = {AUG}, pages = {565-572}, publisher = {Elsevier Science BV, Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, organization = {Elsevier Science BV, Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, address = {Prague, Czech Republic}, abstract = {

Mesoporous silica SBA-15 has been incorporated with various amounts of Sn and Al by post synthesis grafting technique, which results in excellent structural integrity and enhanced acidity. Physico-chemical characterization was done by various spectroscopic methods to understand the chemical nature of incorporated Sn and Al. XRD and BET results show that the hexagonal structural of the SBA-15 is maintained during the grafting with no loss of long range structure ordering. (119)Sn NMR Spectrum shows the presence of Sri in essentially octahedral environment, while 27 Al MAS NMR results confirm that a large proportion of the Al is in tetrahedral position. The resulting Sn and Al-grafted materials possess considerable catalytic activity in the transesterification of diethylmalonate (medium acidity) and isopropylation of naphthalene (strong acid sites), respectively.

}, isbn = {0-444-52082-1}, issn = {0167-2991}, author = {Shah, P and Ramaswamy, AV and Ramaswamy, V}, editor = {Cejka, J and Zilkova, N and Nachtigall, P} } @article { ISI:000227297900050, title = {Integrated fuel cell processor for a 5-kW proton-exchange membrane fuel cell}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, number = {5}, year = {2005}, month = {MAR}, pages = {1535-1541}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A fuel processor is a combination of a few reactors to generate hydrogen required for a fuel cell. The study deals with the production of hydrogen suitable for a 5-kW proton-exchange membrane fuel cell (PEMFC) for household applications using liquefied petroleum gas (LPG) as the fuel. The aim is to energy integrate the five reactors in a fuel processor, i.e., desulfurizer, steam reformer, high-temperature shift reactor, low-temperature shift reactor, preferential oxidation reactor, and various heat exchangers. Heat-exchanger network synthesis analysis has been carried out for the entire process to make the process efficient. The results obtained from the studies show that the steam reforming with LPG gives a higher concentration of hydrogen in the product of about 74\%. The fuel cell efficiency is around 34\%, and the thermal efficiency including lean gas is about 93\%. The model developed can serve as the basis for the development of an integrated PEMFC decentralized power pack for household applications.

}, issn = {0888-5885}, doi = {10.1021/ie0498450}, author = {Ratnamala, G. M. and Shah, N. and Mehta, V. and Rao, P. V. and Devotta, S.} } @article { ISI:000226473300007, title = {Interfacing biology with nanoparticles}, journal = {Current Applied Physics}, volume = {5}, number = {2}, year = {2005}, note = {Indo-Japan Workshop on Advanced Molecular Electronics and Bionics, Kyushu Inst Technol, Grad Sch Life Sci \& Syst Engn, Kitakyushu, JAPAN, DEC 11-13, 2003}, month = {FEB}, pages = {118-127}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

New approaches are constantly being developed for both the synthesis of inorganic nanomaterials and their surface modification for sensing and electronic applications. Insofar as surface modification of gold nanoparticles is concerned, thiol chemistry is the most popular approach to bind ligands to their surface. We have been pursuing the possibility of using amine functionality to bind ligands to the surface of gold nanoparticles and have found that amine binding is as strong as thiol binding. The advantages of using amine chemistry for surface modification of nanogold are many, the possibility of complexing a large variety of biomolecules such as amino acids and proteins being one of the most important. In this article, we review the work from this laboratory on the stabilization of gold nanoparticles using amino acids as well as using amino acids as reducing agents to obtain stable aqueous solutions of gold nanoparticles of variable size. We also discuss the possibility of forming bioconjugates of enzymes with gold nanoparticles decorating the surface of polymer microspheres and their application as reusable biocatalysts. There is much to be gained by marrying nanomaterials with biology with considerable spin-offs likely in both nanotechnology and biotechnology. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {amino acids{\textquoteright} enzyme immobilization, Nanoparticles, Proteins}, issn = {1567-1739}, doi = {10.1016/j.cap.2004.06.006}, author = {Mandal, Sujata and Phadtare, S. and Sastry, M.} } @article { ISI:000230945400267, title = {Isopropyl 2,5-anhydro-3,4-di-O-tert-butyldiphenyl-silyl-L-ribonate}, journal = {Acta Crystallographica Section E - Structure Reports Online}, volume = {61}, number = {8}, year = {2005}, month = {AUG}, pages = {O2724-O2726}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

Determination of the crystal structure of the title compound, C40H50O5Si2, firmly established its relative configuration and hence that of some related tetrahydrofuran carboxylates. The material crystallizes with Z{\textquoteright} = 2. Except for the chiral centres, the two independent molecules are related by a pseudo-centre of symmetry.

}, issn = {1600-5368}, doi = {10.1107/S1600536805023822}, author = {Glawar, A. F. G. and Watkin, D. J. and Sanjayan, G. J. and Tranter, G. E. and Edwards, Alison A. and Fleet, George W. J.} } @article { ISI:000227578700042, title = {Keggin ion mediated synthesis of hydrophobized pd nanoparticles for multifunctional catalysis}, journal = {Langmuir}, volume = {21}, number = {6}, year = {2005}, month = {MAR}, pages = {2408-2413}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Development of simple and reliable protocols for the synthesis of organically soluble catalytically active metal nanoparticles is an important aspect of research in nanomaterials. We demonstrate herein the formation of Pd nanoparticles by reduction of aqueous Pd(NO3)(2) by photoexcited Keggin ions (phosphotungstate anions). This results in the formation of Pd nanoparticles capped with with Keggin ions that render the particles negatively charged. The Keggin ion capped Pd nanoparticles may then be phase transferred into nonpolar organic solvents such as toluene by electrostatic complexation with cationic surfactants such as octadecylamine at the liquid-liquid interface. This results in a new class of catalyst wherein both the Pd core and Keggin ion shell may be used in a range of catalytic reactions leading to a truly multifunctional catalyst dispersible in organic solvents.

}, issn = {0743-7463}, doi = {10.1021/la047717a}, author = {Mandal, Sujata and Das, Amitava and Srivastava, R. and Sastry, M.} } @article { ISI:000229478400004, title = {Kunitz trypsin inhibitor from chickpea (Cicer arietinum L.) that exerts anti-metabolic effect on podborer (Helicoverpa armigera) larvae}, journal = {Plant Molecular Biology}, volume = {57}, number = {3}, year = {2005}, month = {FEB}, pages = {359-374}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Chickpea (Cicer arietinum L.) seeds contain Bowman-Birk proteinase inhibitors, which are ineffective against the digestive proteinases of larvae of the insect pest Helicoverpa armigera. We have identified and purified a low expressing proteinase inhibitor (PI), distinct from the Bowman-Birk Inhibitors and active against H. armigera gut proteinases (HGP), from chickpea seeds. N-terminal sequencing of this HGP inhibitor revealed a sequence similar to reported pea (Pisum sativum) and chickpea alpha-L-fucosidases and also homologous to legume Kunitz inhibitors. The identity was confirmed by matrix assisted laser desorption ionization - time of flight analysis of tryptic peptides and isolation of DNA sequence coding for the mature protein. Available sequence data showed that this protein forms a distinct phylogenetic cluster with Kunitz inhibitors from Glycine max, Medicago truncatula, P. sativum and Canavalia lineata. The isolated coding sequence was cloned into a yeast expression vector and produced as a recombinant protein in Pichia pastoris. alpha-L-fucosidase activity was not detectable in purified or recombinant protein, by solution assays. The recombinant protein did not inhibit chymotrypsin or subtilisin activity but did exhibit stoichiometric inhibition of trypsin, comparable to soybean Kunitz trypsin inhibitor. The recombinant protein exhibited higher inhibition of total HGP activity as compared to soybean kunitz inhibitor, even though it preferentially inhibited HGP-trypsins. H. armigera larvae fed on inhibitor-incorporated artificial diet showed significant reduction in average larval weight after 18 days of feeding demonstrating potent antimetabolic activity. The over-expression of this gene in chickpea could act as an endogenous source of resistance to H. armigera.

}, keywords = {Chickpea, Cicer arietinum, fucosidase, Helicoverpa armigera, Kunitz, Proteinase inhibitor}, issn = {0167-4412}, doi = {10.1007/s11103-004-7925-2}, author = {Srinivasan, A. and Giri, Ashok P. and Harsulkar, Abhay M. and Gatehouse, J. A. and Gupta, Vidya S.} } @article { ISI:000232737900009, title = {Lignin-carbohydrate complexes from sugarcane bagasse: preparation, purification, and characterization}, journal = {Carbohydrate Polymers}, volume = {62}, number = {1}, year = {2005}, month = {OCT}, pages = {57-66}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Lignin-carbohydrate complexes were isolated from sugarcane bagasse by a process, which yielded sulfur-free lignins. These could be made carbohydrate-free, if necessary, by treatment with xylanase enzyme. A study of the preparation, purification, and characterization of such lignin-carbohydrate complexes, comparison with commercial lignin samples (wood based as well as bagasse based) and some other lignin derivatives was made by using a variety of analytical tools such as FTIR, HPLC at three different UV-wavelengths, GPC, thermal analysis and elemental analysis. The use of such a diverse range of lignin-carbohydrate complex samples enabled us to predict the sensitivity of the various analytical techniques for characterization of complex polymers containing carbohydrate moieties. Evidence for lignin-carbohydrate complex was detectable by FTIR as well as HPLC studies. Thermal analysis studies showed the crucial effect of carbohydrate groups, the content of aliphatic chains, and the sulfur content of the lignins. Generalized structures of lignin-carbohydrate complexes obtained from various sources using different preparation methods and chemical modifications are presented. This will aid the applications development effort with advantageously using lignins containing low levels of carbohydrate moieties as reactive sites as well as biodegradability inducing sites. (C) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {biodegradability, hardwood lignins, lignin-carbohydrate complex, softwood lignins, Sugarcane bagasse, sulfur-free lignins, xylanase enzyme}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2005.07.011}, author = {Singh, R. and Singh, S. and Trimukhe, K. D. and Pandare, K. V. and Bastawade, Kulbhushan B. and Gokhale, D. V. and Varma, Anjanikumar} } @article { ISI:000231930500019, title = {Liquid-phase alkylation of phenol with long-chain olefins over WOx/ZrO2 solid acid catalysts}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {240}, number = {1-2}, year = {2005}, month = {OCT}, pages = {123-131}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The liquid-phase alkylation of phenol with 1-dodecene was carried out over WOx/ZrO2 solid acid catalysts. The catalysts were prepared by wet impregnation method using zirconium oxyhydroxide and ammonium metatungstate. Catalysts with different WO3 loading (5-30 wt.\%) were prepared and calcined at 800 degrees C and catalyst with 15\% WO3 was calcined from 700-850 degrees C. All the catalysts were characterized by surface area, XRD, and FTIR. The catalyst with 15\% WO3 calcined at 800 degrees C (15 WZ-800) was found to be the most active in the reaction. The effect of temperature, molar ratio and catalyst weight on dodecene conversion and products selectivity was studied in detail. Under the optimized reaction conditions of 120 degrees C, phenol/1-dodecene molar ratio 2 and time 2 h, the catalyst 15 WZ-800 gave \> 99\% dodecene conversion with 90\% dodecylphenol selectivity. Comparison of the catalytic activity of 15 WZ-800 with sulfated zirconia calcined at 500 degrees C (SZ-500) and HP zeolite showed that activity of SZ-500 was lower than that of 15 WZ-800, while HP zeolite showed negligible activity. It is observed that the presence of water in the reaction mixture was detrimental to the catalytic activity of WOx/ZrO2. The catalyst 15 WZ-800 also found to be an efficient catalyst for alkylation of phenol with long-chain olefins like 1-octene and 1-decene. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Alkylation, long-chain olefins, phenol, tungsten oxide, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.06.046}, author = {Sarish, S. and Devassy, Biju M. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000232864800029, title = {Low temperature synthesis of MgTa2O6 powders}, journal = {Materials Letters}, volume = {59}, number = {29-30}, year = {2005}, month = {DEC}, pages = {3926-3928}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A combination of digestion and further low temperature calcination to crystallize the product is employed to prepare MgTa2O6 (MT) ceramics. Freshly prepared niobium hydroxide gel is mixed with magnesium hydroxide thoroughly and allowed to react at 100 degrees C under refluxing and stirring conditions for 6-12 h. The X-ray amorphous product so formed is heated at 550 degrees C to form crystalline MgTa2O6. This is the lowest temperature so far reported for the formation of MgTa2O6. For comparison, MT powders were also prepared by the traditional solid state method. Transmission electron microscope (TEM) investigations revealed that the average particle size is 40 nm for the low temperature calcined powders. (C) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Ceramics, Electron microscopy, magnesium tantalate, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.07.035}, author = {Navale, SC and Samuel, V and Ravi, V} } @article { ISI:000232871700013, title = {Magnetic and processability studies of nitrile rubber vulcanisates containing barium ferrite and carbon black}, journal = {Indian Journal of Chemical Technology}, volume = {12}, number = {5}, year = {2005}, month = {SEP}, pages = {582-587}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Fine particles of barium ferrite (BaFe12O19) belonging to the M-type hexagonal ferrites were prepared by the conventional ceramic techniques. They were incorporated into a nitrile rubber matrix according to a specific recipe for various loadings to produce rubber ferrite composites (RFC)The percolation threshold is not reached for a maximum loading of 130 phr (parts per hundred rubber). Here in this paper, the magnetic properties and processability of the nitrile rubber based RFCs containing barium ferrite (BaF) and HAF carbon black is reported. The magnetic properties of the ceramic ferrite and these rubber ferrite composites were evaluated and it was found that the coercivity values of RFCs were less than that of the ceramic BaF, but remained constant with the loading of both the ferrite filler and carbon black. However, other properties like saturation magnetization and magnetic remanence increased with the loading of ferrite filler.

}, keywords = {barium ferrite, carbon black, Magnetic materials, nitrile rubber, rubber ferrite composites}, issn = {0971-457X}, author = {Soloman, M. A. and Kurian, P. and Anantharaman, Maliemadom R. and Joy, Pattayil Alias} } @conference { ISI:000227460600023, title = {Magnetic properties of nanosized ferrite powders synthesized by microwave-hydrothermal method}, booktitle = {Ninth International Conference on Ferrites (ICF-9)}, year = {2005}, note = {9th International Conference on Ferrites (ICF-9), San Francisco, CA, AUG 22-27, 2004}, month = {AUG}, pages = {143-148}, publisher = {Amer Ceramic Soc, 735 Ceramic Place, Westerville, OH 43081-8720 USA}, organization = {Amer Ceramic Soc, 735 Ceramic Place, Westerville, OH 43081-8720 USA}, address = {San Francisco, CA}, abstract = {

Nanosized powders of Fe3O4 and MgFe2O4 are synthesized by microwave-hydrothermal (MH) method. The ferrite powders thus obtained are characterized by powder X-ray diffraction, Mossbauer spectroscopy, scanning and transmission electron microscopies, vibrating sample magnetometer and AC magnetic susceptibility studies. Stoichiometric, nanosized (similar to 34 nm) Fe3O4 particles, having cubic symmetry with a(0) approximate to 8.39 angstrom, are obtained when molar ratio of Fe/NaOH used for the synthesis is 0.133. On the other hand, non-stoichiometric Fe3O4 is obtained when Fe/NaOH molar ratio is increased to 0.4. Though the powder XRD patterns of both stoichiometric and non-stoichiometric Fe3O4 are identical, Mossbauer spectroscopic studies showed different features in terms of asymmetry, intensity, isomer shift, etc. Saturation magnetization, M-s = 70 emu/g and coercivity, H-c = 178 Oe, at room temperature, are obtained for stoichiometric Fe3O4 powders. In the case of MgFe2O4, spherical, nanosized (similar to 3 nm) powders with cubic symmetry (a(0) approximate to 8.30 angstrom) and having very narrow size distribution are obtained under the MH conditions. The temperature and field dependent magnetic measurements on MgFe2O4 powders confirmed the existence of superparamagnetic state in this material with a superparamagnetic blocking temperature of 38 K below which typical magnetic hysteresis behaviour is observed.

}, isbn = {1-57498-218-4}, author = {Khollam, Y. B. and Dhage, S. R. and Verma, S. and Potdar, H. S. and Deshpande, S. B. and Joy, Pattayil Alias and Date, Sadgopal K.}, editor = {Soohoo, R. F.} } @article { ISI:000230890100064, title = {Magnetic properties of the self-doped lanthanum manganites La1-xMnO3}, journal = {Physical Review B}, volume = {72}, number = {2}, year = {2005}, month = {JUL}, pages = {024405}, publisher = {AMERICAN PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

The magnetic properties of different compositions in the self-doped lanthanum manganites, La1-xMnO3, have been studied by ac susceptibility and dc magnetization measurements in the temperature range 10-300 K. All compositions with x \< 0.125 show an anomalous decrease in the ac susceptibility and zero field cooled (ZFC) dc magnetization at low temperatures, below the ferromagnetic ordering temperature. The temperature below which this anomalous behavior is observed, T-a, varies with the degree of La vacancy in the series where the Mn4+ concentration decreases with increasing x. Moreover, T-a varies with the Mn4+ content for a given composition. However, in both cases, this temperature levels off when the concentration of Mn4+ is above 23\%. The magnetic-transition-like feature broadens and shifts to further lower temperatures with increasing magnetic fields and vanishes when measured above a certain field. A small but drastic increase in the coercivity is observed below T-a. There is a direct correlation between the shapes of the curves of the inverse of the coercivity as a function of temperature and ac susceptibility, indicating the influence of magnetic anisotropy on the characteristics of the ac susceptibility and zero field cooled magnetization curves of the self-doped compounds. The direct correlation between the changes in the coercivity and ac susceptibility as well as ZFC magnetization when measured at low magnetic fields give evidence to the role of domain wall pinning effects, which varies with the degree of self-doping or Mn4+ concentration.

}, issn = {1098-0121}, doi = {10.1103/PhysRevB.72.024405}, author = {Sankar, C. R. and Joy, Pattayil Alias} } @article { ISI:000228596500024, title = {Matched asymptotic solution for flow in a semi-hyperbolic die}, journal = {Chemical Engineering Science}, volume = {60}, number = {11}, year = {2005}, month = {JUN}, pages = {3107-3110}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A semi-hyperbolic converging geometry finds application as an inexpensive elongation rheometer under certain flow conditions. We provide a matched asymptotic solution for the flow of a Newtonian fluid under no-slip boundary conditions. The predicted velocity and pressure profiles agree nearly quantitatively with CFD simulated values. Our theoretical approach has certain advantages over the known similarity solution proposed by James (1991. A.I.Ch.E. Journal 37, 59-64). (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {elongation viscosity, matched asymptotic solution, semi-hyperbolic}, issn = {0009-2509}, doi = {10.1016/j.ces.2004.12.043}, author = {Subramanian, G and Ranade, V and Nagarkar, S and Lele, Arundhati C.} } @article { ISI:000230717500014, title = {Metalloantitubercular compounds part 3: synthesis, crystal structure, spectroscopy, electrochemistry and antimycobacterial activity of the copper(II) ciproploxacin (cfH) complex and its phenanthroline adduct}, journal = {Transition Metal Chemistry}, volume = {30}, number = {3}, year = {2005}, month = {APR}, pages = {334-340}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The X-ray crystal structures of two ciprofloxacin compounds, viz. [Cu(cfH)(2)(Cl)(2)] (.) 2MeOH (.) 6H2O (2) and [Cu(cfH)(phen)Cl]BF4 (.) 4H(2)O (3) are reported. Complex ( 2) has a distorted octahedral geometry, whereas for the nitrogen adduct (3) a distorted square-pyramidal geometry is seen. Significant enhancement in the antimycobacterial activity of the copper conjugates correlates with their copper redox couples (Cu2+/Cu+) probably due to its relevance to intracellular accumulations and subsequent role in generating oxidative stress.

}, issn = {0340-4285}, doi = {10.1007/s11243-004-5861-2}, author = {Saha, D. K. and Patitungkho, S. and Padhye, S. and Deobagkar, D. N. and Ozarkar, A. and Bhadbhade, Mohan M. and Gonnade, Rajesh G.} } @article { ISI:000227615900006, title = {Microwave assisted rapid synthesis of 4-amino-3,4-dihydroquinolin-2-ones from azetidin-2-ones}, journal = {Arkivoc}, number = {1}, year = {2005}, month = {JAN}, pages = {53-64}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

An efficient one-pot synthesis of 4-amino-3,4-dihydroquinolin-2-ones from 3-(2-nitrophenyl)-1, 4-disubstituted azetidin-2-ones is described. Microwave assisted transfer hydrogenation of a nitro group followed by in situ beta-lactam ring opening by the newly formed amino group is the key step in this synthesis.

}, keywords = {4-amino-3, 4-dihydroquinolin-2-ones, azetidin-2-ones, imines, ketenes, Microwave, transfer hydrogenation}, doi = {10.3998/ark.5550190.0006.106}, author = {Shirode, N. M. and Kulkarni, K. C. and Gumaste, V. K. and Deshmukh, A. R. A. S.} } @article {43222, title = {Mild and efficient method for the synthesis of vinylogous carbamates from alkyl azides}, journal = {Tetrahedron Letters}, volume = {46}, year = {2005}, month = {FEB}, pages = {979-982}, abstract = {A mild and efficient one-pot method for the synthesis of vinylogous carbamates is reported starting from alkyl azides under a hydrogen atmosphere using 10\% Pd/C. The resulting products are useful intermediates for the synthesis of heterocyclic compounds, natural products, and in peptidomimetics. (C) 2004 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2004.12.047}, author = {Reddy, D. Srinivasa and Rajale, T. V. and Shivakumar, K. and Iqbal, Javed} } @article { ISI:000228743500067, title = {Miscibility of chitosan-hydroxyethylcellulose blends in aqueous acetic acid solutions at 35 degrees C}, journal = {Journal of Applied Polymer Science}, volume = {96}, number = {5}, year = {2005}, month = {JUN}, pages = {1996-1998}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The miscibility of blends of chitosan and hydroxyethylcellulose in a 2\% acetic acid solution was studied by viscometry, densitometry, and refractometry at 35 degrees C. The data suggest that the blends were completely miscible in all proportions. Further, the membranes were fabricated from concentrated blend solutions. The solid-state compatibility of the blends was confirmed by scanning electron microscopy. (c) 2005 Wiley Periodicals, Inc.

}, keywords = {blends, miscibility, refractive index, viscosity}, issn = {0021-8995}, doi = {10.1002/app.21421}, author = {Wali, A. C. and Naidu, B. V. K. and Mallikarjuna, N. N. and Sainkar, S. R. and Halligudi, Shivaraj B. and Aminabhavi, Tejraj M.} } @article { ISI:000232103800003, title = {Mitochondrial sequence reveals high levels of gene flow between breeds of domestic sheep from Asia and Europe}, journal = {Journal of Heredity}, volume = {96}, number = {5}, year = {2005}, month = {SEP}, pages = {494-501}, publisher = {OXFORD UNIV PRESS INC}, type = {Article}, address = {JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA}, abstract = {

Sequence variation present within the mitochondrial genome was used to investigate genetic diversity within sheep breeds from Asia and Europe. Comparison of 2027 bp of sequence from 121 animals revealed 44 phylogenetically informative nucleotide positions and a single insertion/deletion. A total of 57 haplotypes were observed which formed two distinct clades. Type A haplotypes were found in breeds from Asia (India, Indonesia, Mongolia, and Tibet), while type B haplotypes were observed at the highest frequency in breeds sourced from Europe (nine breeds from Austria, angstrom land, Finland, Spain, and northwestern Russia). The distribution of haplotypes indicates sheep appear to have the weakest population structure and the highest rate of intercontinental dispersal of any domestic animal reported to date. Only 2.7\% of the sequence variation observed was partitioned between continents, which is lower than both goat (approximately 10\%) and cattle (approximately 50\%). Diagnostic restriction fragment length polymorphism polymerase chain reaction (RFLP-PCR) tests which distinguish type A and B haplotypes were used to test an additional 223 animals from 17 breeds of European and Asian origin. A mixture of the two lineages was found in every breed except Suffolk and the Indian Garole, indicating introgression has played a major part during breed development and subsequent selection.

}, issn = {0022-1503}, doi = {10.1093/jhered/esi100}, author = {Meadows, J. R. S. and Li, K. and Kantanen, J. and Tapio, M. and Sipos, W. and Pardeshi, V. and Gupta, V. and Calvo, J. H. and Whan, V. and Norris, B. and Kijas, J. W.} } @article { ISI:000228658400021, title = {Morphology and chain dynamics during collapse transition of PNIPAM gels studied by combined imaging, relaxometry and Xe-129 spectroscopy techniques}, journal = {Magnetic Resonance Imaging}, volume = {23}, number = {2, SI}, year = {2005}, note = {7th International Conference on Magnetic Resonance in Porous Media (MRPM7), Palaiseau, FRANCE, JUL 04-08, 2004}, month = {FEB}, pages = {249-253}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

The temperature-induced shape transition of poly(N-isopropylacrylamide) gels of different cross-link densities was investigated by a combination of NMR techniques allowing the characterization of both the macroscopic collapse as well as the changes on a molecular scale related to the expulsion of water from the gel network. The proton-containing gel phase was visualized by swelling in heavy water, and the volume change was monitored by proton imaging for cross-link densities between 0.5 \% and 2.5 \%. Above the transition temperature of 35 degrees C, gel collapse led to a volume change of up to a factor of 17 for the gel of smallest cross-link density. Two spectral lines of Xe-129 are found in the gel state and are assigned to the hydrophobic and hydrophilic parts of the network. In the collapsed state, the hydrophobic peak shows a strong shift while the hydrophilic peak disappears. A considerable shortening of both T-1 and T-2 of the gel protons upon collapse was found at a field of 4.7 T. At lower fields, the effect becomes more pronounced and qualitatively different dispersion behaviors between the swollen and the collapsed states are observed. (c) 2005 Elsevier Inc. All rights reserved.

}, keywords = {gel, networks, phase transition, relaxometry, Xe-129 spectroscopy}, issn = {0730-725X}, doi = {10.1016/j.mri.2004.11.019}, author = {Kariyo, Sobiroh and Kuppers, Markus and Badiger, Manohar V. and Prabhakar, A. and Jagadeesh, Bharatam and Stapf, S. and Blumich, B.} } @article { ISI:000230879300037, title = {NaIO4-mediated C-H activation of alkylbenzenes and alkanes with LiBr}, journal = {Tetrahedron Letters}, volume = {46}, number = {33}, year = {2005}, month = {AUG}, pages = {5589-5592}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

NaIO4 oxidizes lithium bromide efficiently under acidic conditions to functionalize alkylbenzenes and alkanes and produce the corresponding bromo and acetoxy derivatives in excellent yields. The protocol also demonstrates the direct conversion of cyclohexane into trans-1,2-dibromocyclohexane in moderate yield. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {alkanes, alkylbenzenes, C-H activation, Lithium bromide, NaIO4}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.06.033}, author = {Shaikh, T. M. and Sudalai, A.} } @article { ISI:000232817700072, title = {NalO(4)/LiBr-mediated diastereoselective dihydroxylation of olefins: a catalytic approach to the prevost-woodward reaction}, journal = {Organic Letters}, volume = {7}, number = {22}, year = {2005}, month = {OCT}, pages = {5071-5074}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

LlBr catalyzes efficiently the dihydroxylation of alkenes to afford syn and anti diols with excellent diastereoselectivity depending upon the use of NaIO4 (30 mol \%) or Phl(OAc)(2) (1 equiv), respectively, as the oxidants. The oxidation of non-benzylic halides has been achieved for the first time to afford the corresponding diols in excellent yields.

}, issn = {1523-7060}, doi = {10.1021/ol052080n}, author = {Emmanuvel, Lourdusamy and Shaikh, T. M. A. and Sudalai, A.} } @article { ISI:000230848700026, title = {Nature of manganese species in Ce1-xMnxO2-delta solid solutions synthesized by the solution combustion route}, journal = {Chemistry of Materials}, volume = {17}, number = {15}, year = {2005}, month = {JUL}, pages = {3983-3993}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A series of manganese-cerium oxide composites with Mn concentrations in the range of 1-20 mol \% in ceria was prepared by the solution combustion technique using urea as fuel. The nature, type, and oxidation state of Mn species in ceria were investigated by X-ray diffraction (XRD), diffuse reflectance UV-visible spectroscopy, electron paramagnetic resonance (EPR), X-ray photoelectron spectroscopy, and temperature-programmed reduction techniques. The study reveals that the method of preparation significantly influences the type of manganese species in ceria. Wet-impregnation, coprecipitation, and solid-state synthesis techniques lead to clustered MnOx-like species in the ceria matrix, while the present method of preparation (solution combustion route) yields a highly dispersed form of Mn species. In the reported series of samples, Mn is present mainly in +2 and +3 oxidation states and there is no evidence for the presence of Mn 41 species. Powder X-ray diffraction studies at variable temperatures (298-1323 K) indicate the formation of Ce1-xMnxO2-delta Solid solutions. No separate MnOx-type phase was detected even at 1323 K. EPR studies reveal that the isolated Mn2+ and Mn2+ species are present in at least three different structural locations: species A, Mn ions in ceria-lattice defect sites; species B, Mn ions in framework Ce4+ locations; and species C, Mn ions in interstitial locations and at the surface of ceria. The Mn3+ ions in ceria exhibit a facile reduction and reoxidation behavior when exposed to dry hydrogen and subsequently to air at elevated. temperatures. A highly dispersed state of Mn3+ and Mn2+ in ceria, facile redox behavior, and a synergistic Mn-ceria interaction are some of the unique properties of this material prepared by the solution combustion procedure.

}, issn = {0897-4756}, doi = {10.1021/cm050401j}, author = {Murugan, B. and Ramaswamy, A. V. and Srinivas, D. and Gopinath, Chinnakonda S. and Ramaswamy, V.} } @article { ISI:000227313400027, title = {NBS-catalyzed hydroamination and hydroalkoxylation of activated styrenes}, journal = {Organic Letters}, volume = {7}, number = {5}, year = {2005}, month = {MAR}, pages = {855-857}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

N-Bromosuccinimide efficiently catalyzes the hydroamination and hydroalkoxylation of activated styrenes using tosylamides, carbamates, and alcohols as the nucleophiles to afford amino and ether derivatives, respectively. Both the processes give good to excellent yields of the products with 100\% regioselectivity (Markovnikov fashion).

}, issn = {1523-7060}, doi = {10.1021/ol047402m}, author = {Talluri, S. K. and Sudalai, A.} } @article { ISI:000231247000001, title = {New approaches to the synthesis of anisotropic, core-shell and hollow metal nanostructures}, journal = {Journal of Materials Chemistry}, volume = {15}, number = {31}, year = {2005}, month = {APR}, pages = {3161-3174}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The synthesis of nanomaterials with control over size, shape and chemical composition continues to be a major challenge in nanoscience. The requirements of nanomaterial synthesis are becoming more sophisticated and, in addition to anisotropic structures, there is much excitement surrounding the development of recipes for the synthesis of core-shell and hollow nanostructures. Much of the motivation for research in this direction stems from the unusual optoelectronic and chemical properties exhibited by such nanostructures. In this article, we review the work from this laboratory on the synthesis of flat gold nanostructures at the air-water interface, either by confining the reductant or the precursor metal ions to the air-water interface. We also describe the synthesis of phase-pure core-shell nanoparticles by immobilizing UV- and pH-dependent reducing agents on the surface of the core nanoparticles as well as the synthesis of organically soluble hollow-shell nanostructures via transmetallation reactions.

}, issn = {0959-9428}, doi = {10.1039/b502704g}, author = {Sastry, M. and Swami, A. and Mandal, Sujata and Selvakannan, P. R.} } @article { ISI:000232011300008, title = {Nitrogen ligands: The transition metal catalyzed reaction of aryl halides with olefins (Mizoroki-Heck), phenylboronic acid (Suzuki coupling) and Buchwald-Hartwig amination, new catalysts and effect of co-catalysts - Aryl halide activation - Part I}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {44}, number = {9}, year = {2005}, month = {SEP}, pages = {1894-1908}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, type = {Article}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Nitrogen ligands are an excellent alternative for the traditional P-ligands in the Pd catalyzed Mizoroki-Fleck reaction, Suzuki coupling and Buchwald-Hartwig aryl amination. Pd complexes of dimethyl glyoxime, 8-hydroxyquinoline, salen, picolinic acid, and DAB ligands gave high yields of the E-cinnamates and E-stilbenes from aryl iodides. Acetophenone oxime N, N-dimethybenzylamine and ferrocenyl oxime palladacycle are better catalysts with comparable yields, high TON (95, 000) and TOF{\textquoteright}s (2, 500 h(-1)) to P-ligand catalysts. Aryl bromides and in a few cases, aryl chlorides could also be activated by these complexes by the use of Lewis acid and (C(4)H(9))(4)NI as additives. Cy-DAB ligands gave good yields with electron rich aryl bromides and the use of ionic liquid improve the yield. These N-ligand metal complexes can be readily synthesized and the ligands possess the advantage of easy functional group modifications and convenient synthetic methods compared to P-ligands. The degradation reactions associated with P-ligands are not observed in the N-ligands, with comparable, high thermal, moisture and air stability and insensitivity. Activation of aryl bromides (Mizoroki-Fleck reaction, Suzuki reaction) could be achieved in high yields, TON and TOF (86-94\% yield, TON: 36, 000-90, 000, TOF:6, 000-11, 500 h-1) catalyzed by monomeric amine and oxime palladacycles (Cat-8, 11, 13 B) with a N-heterocyclic carbene ligand better than a phosphorous ligand. Molten (C(4)H(9))(4)NBr is an efficient ionic liquid medium for the Mizoroki-Fleck reaction of aryl bromides, giving higher yields. Low to moderate yields of aryl amination are obtained with the carbene pallaclacycle and N, N-dibenzyl piperazine Pd complexes.

}, keywords = {DAB, DMG, Mizoroki-Heck reaction, nitrogen ligands, Palladacycle}, issn = {0376-4699}, author = {Iyer, S and Kulkarni, GM and Ramesh, C and Sattar, AK} } @article { ISI:000229782600017, title = {Novel, benign, solid catalysts for the oxidation of hydrocarbons}, journal = {Philosophical Transactions of the Royal Society A - Mathematical, Physical and Engineering Sciences}, volume = {363}, number = {1829}, year = {2005}, month = {APR}, pages = {1001-1012}, publisher = {ROYAL SOCIETY}, type = {Article}, address = {6-9 CARLTON HOUSE TERRACE, LONDON SW1Y 5AG, ENGLAND}, abstract = {

The catalytic properties of two classes of solid catalysts for the oxidation of hydrocarbons in the liquid phase are discussed: (i) microporous solids, encapsulating transition metal complexes in their cavities and (ii) titanosilicate molecular sieves. Copper acetate dimers encapsulated in molecular sieves Y, AICM-22 and VPI-5 use dioxygen to regioselectively ortho-hydroxylate L-tyrosine to L-dopa, phenol to catechol and cresols to the corresponding o-dihydroxy and o-quinone compounds. Monomeric copper phthalocyanine and salen complexes entrapped in zeolite-Y oxidize methane to methanol, toluene to cresols, naphthalene to naphthols, xylene to xylenols and phenol to diphenols. Trimeric mu(3)-oxo-bridged Co/Mn cluster complexes, encapsulated inside Y-zeolite, oxidize para-xylene, almost quantitatively, to terephthalic acid. In almost all cases, the intrinsic catalytic activity (turnover frequency) of the metal complex is enhanced very significantly, upon encapsulation in the porous solids. Spectroscopic and electrochemical studies suggest that the geometric distortions of the complex on encapsulation change the electron density at the metal ion site and its redox behaviour, thereby influencing its catalytic activity and selectivity in oxidation reactions. Titanosilieate molecular sieves can oxidize hydrocarbons using dioxygen when loaded with transition metals like Pd, An or Ag. The structure of surface Ti ions and the type of oxo-Ti species generated on contact with oxidants depend on several factors including the method of zeolite synthesis, zeolite structure, solvent, temperature and oxidant. Although, similar oxo-Ti species are present on all the titanosilicates, their relative concentrations vary among different structures and determine the product selectivity.

}, keywords = {benign catalytic oxidations, encapsulated metal complexes, Solid catalysts, titanosilicate molecular sieves}, issn = {1364-503X}, doi = {10.1098/rsta.2004.1538}, author = {Ratnasamy, P and Raja, R and Srinivasi, D} } @article { ISI:000231634800045, title = {Novel low-temperature synthesis of nanosized NiZn ferrite}, journal = {Journal of the American Ceramic Society}, volume = {88}, number = {9}, year = {2005}, month = {SEP}, pages = {2597-2599}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

Nanosized NiZn ferrite powder is synthesized by a low-temperature method, using a unique combination of citric acid and glycine. An appropriate molar ratio of both citric acid and glycine offers a low-temperature synthetic route by incorporating the complexation behavior of citric acid and the combustion nature of glycine. Thermal decomposition/controlled autocatalytic combustion of the composite gel occurs at a low temperature of around 175 degrees C, with the evolution of a large amount of gases. Transmission electron microscopic studies showed that the average particle size of the ferrite obtained is similar to 2.5 nm, with a narrow size distribution. Uniformly distributed fine-grained microstructure with low porosity is obtained for a sample sintered at 1000 degrees C.

}, issn = {0002-7820}, doi = {10.1111/j.1551-2916.2005.00445.x}, author = {Verma, S. and Pradhan, S. D. and Pasricha, R. and Sainkar, S. R. and Joy, Pattayil Alias} } @conference { ISI:000245886300024, title = {Novel method for the synthesis of siloxane nanowires and filaments using gold nanoparticle catalysts}, booktitle = {International Conference on Nanoscience and Technology}, series = {International Journal of Nanoscience Series}, volume = {4}, number = {5-6}, year = {2005}, note = {International Conference on Nanoscience and Technology, Calcutta, INDIA, DEC 17-20, 2003}, month = {DEC}, pages = {1007-1010}, publisher = {World Scientific Publ Co Pte Ltd, Po Box 128 Farrer Rd, Singapore 9128, Singapore}, organization = {World Scientific Publ Co Pte Ltd, Po Box 128 Farrer Rd, Singapore 9128, Singapore}, address = { Calcutta, India}, abstract = {

A unique polymerization reaction of alkylsilanes to siloxane nanowires, filaments and tubes in presence of gold nanoparticles and water is presented. The gold nanoparticles, which catalyze this reaction also work as templates restricting the shape of the resulting polymers into wires and tubes. High resolution transmission electron microscopy images clearly reveal the presence of gold nanoparticle at the tip of each wire supporting the template hypothesis. Elemental analyses by different methods confirm the stoichiometry to be C18H37SiO1.5, when the alkylsilane used was C18H37SiH3, thus proving that the alkyl group remains intact during the polymerization reaction.

}, keywords = {gold nanoparticles, Nanowires, siloxane polymers}, doi = {10.1142/S0219581X0500398X}, author = {Bhagavatula L. V. Prasad and Stoeva, S. and Sorensen, C. M. and Klabunde, Kenneth J. and Zaikovskii, V.}, editor = {Sanyal, M. K. and Raychaudhuri, A. K. and Chakravorty, D.} } @article { ISI:000227273200009, title = {Novel one-pot synthesis of 2-Aryl-4(3H)-quinazolinones using room temperature ionic liquid as reaction medium as well as promoter}, journal = {Synthetic Communications}, volume = {35}, number = {2}, year = {2005}, month = {JUL}, pages = {231-241}, publisher = {MARCEL DEKKER INC}, type = {Article}, address = {270 MADISON AVE, NEW YORK, NY 10016 USA}, abstract = {

An efficient one-pot synthesis of 2-aryl-4(3H)-quinazolinones from 2-amino benzamides and substituted benzoyl chlorides in a room temperature ionic liquid is described. Compared with the classical reaction conditions, this new synthetic method has the advantages of recyclability of ionic liquid, very good to excellent yields (78-92\%), the absence of hazardous and expensive catalysts, and easy workup procedures giving rise to a process with minimum waste.

}, keywords = {2-amino benzamide, 2-aryl-4(3H)-quinazolinones, benzoyl chlorides, Ionic liquid}, issn = {0039-7911}, doi = {10.1081/SCC-200048433}, author = {Potewar, T. M. and Nadaf, R. N. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, K. V.} } @article { ISI:000225750600004, title = {Novel polymer-inorganic solid-state reaction for the synthesis of CdS nanocrystallites}, journal = {Materials Letters}, volume = {59}, number = {5}, year = {2005}, month = {FEB}, pages = {554-559}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We offer a novel polymer-inorganic solid-state reaction route for the in situ generation of nanochalcogenide semiconductor in the network of polymer which itself acts as a chalcogen source. We have exemplified feasibility of this route by reacting CdI2 with engineering thermoplastic polyphenylene sulphide (PPS). These two reactants in 1:1 and 10:1 molar ratios were simply heated at the crystalline melting temperature of PPS. The resultant products were characterized by X-ray diffractometry, Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM, with selected area electron diffraction). The prima facie observations revealed the formation of cubic nanocrystallites of US with the particle size ranging from 6 to 20 nm entrapped in modified (cyclized) PPS matrix when the reactants were taken in 10:1 molar ratio. A tentative mechanism has been suggested for such hitherto unattempted solid-state reaction. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {CdS nanocrystallites, Semiconductor, solid-state reaction, Thermoplastic polymer matrix}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.10.037}, author = {Kanade, K. G. and Hawaldar, Ranjit R. and Pasricha, R. and Radhakrishnan, S. and Seth, T. and Mulik, Uttam P. and Kale, B. B. and Amalnerkar, Dinesh P.} } @article { ISI:000232945400006, title = {Novel route for in-situ H2O2 generation from selective reduction of O-2 by hydrazine using heterogeneous Pd catalyst in an aqueous medium}, journal = {Chemical Communications}, number = {43}, year = {2005}, month = {OCT}, pages = {5399-5401}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Hydrogen peroxide in high yields can be generated with high efficiency at mild conditions (25 degrees C and atmospheric pressure) with the formation of only environment-friendly by-products (N-2 and H2O) by a reduction of O-2 by hydrazine from its hydrate/salt with its complete conversion in a short reaction period (\<= 0.5 h) using a easily separable supported Pd catalyst (Pd/Al2O3, Pd/Ga2O3 or Pd/C) in an acidic aqueous medium in the presence of bromide anions; the presence of both acid (protons) and bromide anions is essential for the selective reduction of O-2 by hydrazine to H2O2 and in their absence, the reaction leads only to the formation of water.

}, issn = {1359-7345}, doi = {10.1039/b510543a}, author = {Choudhary, Vasant R. and Samanta, C. and Jana, Prabhas} } @article { ISI:000232612200002, title = {Novel tridentate nitrogen donor as ligand in copper catalyzed ATRP of methyl methacrylate}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {43}, number = {21}, year = {2005}, month = {NOV}, pages = {4996-5008}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A tridentate ligand, BPIEP: 2,6-bis[1-(2,6-diisopropyl phenylimino) ethyl] pyridine, having central pyridine unit and two peripheral imine coordination sites was effectively employed in controlled/{\textquoteright}{\textquoteright}living{\textquoteright}{\textquoteright} radical polymerization of MXU at 90 degrees C in toluene as solvent, (CuBr)-Br-I as catalyst, and ethyl-2-bromoisobutyrate (EBiB) as initiator resulting in well-defined polymers with polydispersities M-W/M-n \<= 1.23. The rate of polymerization follows first-order kinetics, k(app) = 3.4 x 10(-5) s(-1), indicating the presence of low radical concentration ([P*] \<= 10(-8)) throughout the reaction. The polymerization rate attains a maximum at a ligand-to-metal ratio of 2:1 in toluene at 90 degrees C. The solvent concentration (v/v, with respect to monomer) has a significant effect on the polymerization kinetics. The polymerization is faster in polar solvents like, diphenylether, and anisole, as compared to toluene. Increasing the monomer concentration in toluene resulted in a better control of polymerization. The molecular weights (M-n,M-SEC) increased linearly with conversion and were found to be higher than predicted molecular (M-n,M-Cal). However, the polydispersity remained narrow, i.e., \<= 1.23. The initiator efficiency at lower monomer concentration approaches a value of 0.7 in 110 min as compared to 0.5 in 330 min at higher monomer concentration. The aging of the copper salt complexed. with BPIEP had a beneficial effect and resulted in polymers with narrow polydispersitities and higher conversion. PMMA obtained at room temperature in toluene (33\%, v/v) gave PDI of 1.22 (Mn = 8500) in 48 h whereas, at 50 degrees C the PDI is 1.18 (Ma = 10,300), which is achieved in 23 h. The plot of In kapp versus 1/T gave an apparent activation energy of polymerization as (Delta E-app(not equal)) 58.29 KJ/mol and enthalpy of equilibrium (Delta H-eq(0)) to 28.8 KJ/mol. Reverse ATRP of MMA was successfully performed using AIBN in bulk as well as solution. The controlled nature of the polymerization reaction was established through kinetic studies and chain extension experiments. (c) 2005 Wiley Periodicals, Inc.

}, keywords = {2, 6-bis [1-(2, 6-diisopropyl phenylimino) ethyl] pyridine (BPIEP), Activation energy, apparent rate constant, Atom transfer radical polymerization (ATRP), diphenylether, ethyl-2-bromoisobutyrate (EBiB), methyl methacrylate, polydispersity index (PDI), Toluene}, issn = {0887-624X}, doi = {10.1002/pola.20973}, author = {Mittal, A. and Sivaram, S.} } @article { ISI:000233948800019, title = {Nucleobases in molecular recognition: molecular adducts of adenine and cytosine with COOH functional groups}, journal = {Angewandte Chemie International Edition}, volume = {44}, number = {47}, year = {2005}, month = {NOV}, pages = {7752-7757}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, keywords = {carboxylic acids, hydrogen bonds, molecular recognition, nucleobases, supramolecular chemistry}, issn = {1433-7851}, doi = {10.1002/anie.200502434}, author = {Perumal, Sathiamurthi and Suresh, E. and Pedireddi, V. R.} } @article { ISI:000233052200016, title = {O-H center dot center dot center dot O-bridged dimers linked via C-H center dot center dot center dot O and C-H center dot center dot center dot pi interactions in 4,6-di-O-benzyl-myo-inositol 1,3,5-orthoformate}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {61}, number = {11}, year = {2005}, month = {NOV}, pages = {O628-O630}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {0108-2701}, doi = {10.1107/S0108270105029422}, author = {Manoj, Kochunnoonny and Devaraj, Subramanian and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000231841800033, title = {Optimization and scale up of production of alkaline protease from Conidiobolus coronatus}, journal = {Process Biochemistry}, volume = {40}, number = {9}, year = {2005}, month = {SEP}, pages = {3152-3158}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Alkaline protease secreted by Conidiobolus coronatus has been evaluated extensively in tanneries and finds application in pre-tanning operations in leather manufacture. It is important to produce the enzyme in inexpensive and optimized media on large scale for the process to be commercially viable. The present paper describes optimization of fermentation conditions in shake flasks and scale up of production to 100 L in fermentors. The production is complete in 2-3 days comparable to bacterial fermentations. The organism utilized several carbon sources such as starch, sucrose, lactose, glucose and fructose for production. Soyabean meal at an optimum concentration of 2-3\% was found to be best inducer. Diammonium hydrogen phosphate, casamino acids and Hi-media peptone gave activities comparable to yeast extract. Preservation and stabilization studies showed that glycerol conferred considerable stabilization at room temperature while ammonium sulphate precipitated enzyme at 0.9 saturation was best with stability up to 2 years even at room temperature. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Alkaline Protease, Conidiobolus, Fermentation, Optimization, scale up}, issn = {1359-5113}, doi = {10.1016/j.procbio.2005.04.005}, author = {Laxman, Ryali Seeta and Sonawane, A. P. and More, Shivaji V. and Rao, B. S. and Rele, M. V. and Jogdand, Vitthal V. and Deshpande, V. V. and Rao, M. B.} } @article { ISI:000230698100036, title = {Optimization of nonlinear optical properties by substituent position, geometry and symmetry of the molecule: an ab initio study}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {29}, year = {2005}, month = {JUL}, pages = {14093-14101}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Static polarizability and first- and second-order hyperpolarizability tensors are computed at the correlated level for a series of para-nitroaniline derivatives. The importance of including electron correlation effects in the determination of equilibrium structure and the molecular properties is investigated. A qualitative description of the substitution effects, planarity, and symmetric effect of the molecule on the molecular susceptibility is discussed.

}, issn = {1520-6106}, doi = {10.1021/jp051355d}, author = {Davis, D and Sreekumar, K and Sajeev, Y and Pal, S} } @article { ISI:000227915900011, title = {Overview on the degradability of polymer nanocomposites}, journal = {Polymer Degradation and Stability}, volume = {88}, number = {2}, year = {2005}, month = {MAY}, pages = {234-250}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Polymer nanocomposites have attracted great attention world wide from both academic and industrial points of view. The material properties of polymers can be enhanced dramatically by incorporating layered silicates at fairly low concentrations. The durability of any material depends upon several factors e.g. light, heat, microwaves, mechanical abrasion etc. The study and the effect of these factors on the performance are essentially required to extend the application limits. The durability of polymer nanocomposites has been evaluated under different environments. The present review describes the durability of different polymer nanocomposites mainly under thermal- and photoageing. Biodegradable nanoeomposites of different polymers are also discussed briefly. (c) 2004 Elsevier Ltd. All rights reserved.

}, keywords = {Biodegradation, Degradation, layered silicates, Nanocomposites, weathering}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2004.09.013}, author = {Pandey, JK and Reddy, KR and Kumar, AP and Singh, RP} } @article { ISI:000227565800022, title = {Oxidative dehydrogenation of ethylbenzene over vanadia-alumina catalysts in the presence of nitrous oxide: structure-activity relationship}, journal = {Journal of Catalysis}, volume = {230}, number = {2}, year = {2005}, month = {MAR}, pages = {484-492}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

A series of vanadia-alumina catalysts with different vanadia contents were prepared by a wet impregnation method. The influence of the local structure of vanadia in these catalysts on the oxidative dehydrogenation of ethylbenzene with nitrous oxide was investigated. The use of N2O as a co-feed remarkably enhanced the styrene yield compared with the use of N-2. Characterization of these vanadia catalysts by XRD, FTIR, UV-vis, TPR, XPS, and V-51 NMR techniques suggests that the nature of the VOx species depends on the vanadia loading: the predominant species are monomeric vanadia at lower loadings, two-dimensional polyvanadates at intermediate loadings, and bulk-like V2O5 and AlVO4 at higher loadings. The rate of oxidative dehydrogenation (ODH) of ethylbenzene per vanadium atom increases with vanadia loading and reaches a maximum at 10 wt\%, the loading at which the surface predominantly contains polyvanadate species. The observed variation in the selectivity of products with vanadium loading indicates that the monomeric V5+ species favors dehydrogenation, whereas bulk-like V2O5 preferentially participates in the dealkylation of ethylbenzene. The vanadium species remains at a higher oxidation state in the presence of N2O, leading to a higher styrene yield. than in a N-2 atmosphere. The ODH turnover rates increased with decreasing energy of the absorption edge in the UV-vis spectrum, at low VOx coverages of less than one monolayer on the Al2O3 surface. (c) 2005 Elsevier Inc. All rights reserved.

}, keywords = {absorption edge energy, Alumina, ethylbenzene, Nitrous oxide, oxidative dehydrogenation, polyvanadates, styrene, vanadia}, issn = {0021-9517}, doi = {10.1016/j.jcat.2005.01.010}, author = {Shiju, N. R. and Anilkumar, Mettu and Mirajkar, Subhash P. and Gopinath, Chinnakonda S. and Rao, B. S. and Satyanarayana, C. V.} } @article { ISI:000230232100019, title = {Partial ring hydrogenation of naphthols over supported metal catalysts in supercritical carbon dioxide solvent}, journal = {Chemistry Letters}, volume = {34}, number = {6}, year = {2005}, month = {JUN}, pages = {782-783}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

Selective ring hydrogenation of naphthols to tetrahydronaphthols and tetralones proceeded at 323 K over a charcoal supported rhodium catalyst in supercritical carbon dioxide.

}, issn = {0366-7022}, doi = {10.1246/cl.2005.782}, author = {Mine, Eiichi and Haryu, E. and Arai, K. and Sato, T. and Sato, O. and Sasaki, A. and Rode, C. V. and Shirai, M.} } @article { ISI:000230753500026, title = {Pd-catalyzed oxidative kinetic resolution of 2-azido-1-arylethanols}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {44}, number = {7}, year = {2005}, month = {JUL}, pages = {1533-1535}, publisher = {NATL INST SCIENCE COMMUNICATION}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

(-)-Sparteine/Pd (II) complex in combination with oxygen as a stoichiometric oxidant, catalyses the oxidative kinetic resolution of P-azido alcohols to afford the corresponding chiral 2-azido-1-arylethanols.

}, keywords = {(-)-sparteine-Pd (II) complex, beta-azidoalcohol, chiral 2-azido-1-arylethanol, Kinetic resolution}, issn = {0376-4699}, author = {Sayyed, I. A. and Kumar, N. S. C. R. and Sudalai, A.} } @article { ISI:000229380600016, title = {Performance assessment of HC-290 as a drop-in substitute to HCFC-22 in a window air conditioner}, journal = {International Journal of Refrigeration - Revue Internationale Du Froid}, volume = {28}, number = {4}, year = {2005}, month = {JUN}, pages = {594-604}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

As per the Montreal Protocol, CFCs and HCFCs are being phased out. HCFC-22 is used in window air conditioners. This paper presents the experimental performance study of a window air conditioner with propane (HC-290), a natural refrigerant, as a drop-in substitute to HCFC-22. Experimental results showed that HC-290 had 6.6\% lower cooling capacity for the lower operating conditions and 9.7\% lower for the higher operating conditions with respect to HCFC-22. The coefficient of performance for HC290 was 7.9\% higher for the lower operating conditions and 2.8\% higher for the higher operating conditions. The energy consumption of the unit with HC-290 was lower in the range 12.4-13.5\% than HCFC-22. The discharge pressures for HC-290 were lower in the range 13.7-18.2\% than HCFC-22. For HC-290, the pressure drop was lower than HCFC-22 in both heat exchangers. This paper also presents simulation results for the heat exchangers of an HCFC-22 window air conditioner with HC-290 as a drop-in substitute. The simulation has been carried out using EVAP-COND, a heat exchanger model developed by NIST [National Institute of Standards and Technology. EVAP-COND: simulation models for finned-tube heat exchangers, Maryland, USA (2003). http://www2.bfrl.nist.gov/software/evap-cond/ [18]]. The simulated evaporator capacities are within +/- 4\% of the experimentally measured cooling capacities for both refrigerants. Simulation results for HC-290 and HCFC-22 are compared. The exit temperatures of HC-290 are lower by 0.3-1.2 degrees C in the condenser and are higher by 2.1-2.4 degrees C in the evaporator than HCFC-22. Evaporating pressures of HC-290 are lower by 2.1-3.3\% as compared to HCFC-22. The pressure drops of HC-290 are lower in both the evaporator and the condenser as compared to HCFC-22. The outlet temperatures of air for HCFC-22 and HC-290 in both heat exchangers are nearly the same. (c) 2005 Elsevier Ltd and IIR. All rights reserved.

}, keywords = {air conditioner, COP, Evaporator, experiment, performance, propane, R-22, simulation, window}, issn = {0140-7007}, doi = {10.1016/j.ijrefrig.2004.09.013}, author = {Devotta, S and Padalkar, AS and Sane, NK} } @article { ISI:000231682900021, title = {Performance assessment of HCFC-22 window air conditioner retrofitted with R-407C}, journal = {Applied Thermal Engineering}, volume = {25}, number = {17-18}, year = {2005}, month = {DEC}, pages = {2937-2949}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

This paper presents the experimental performance analysis of a 1.5 TR window air-conditioner, retrofitted with R-407C, as a substitute to HCFC-22. Experimental results showed that R-407C, for the operating conditions covered in this study, had lower cooling capacity in the range 2.1-7.9\% with respect to HCFC-22. The coefficient of performance for R-407C was lower in the range 7.9-13.5\%. The power consumption of the unit with R-407C was higher in the range 6-7\% than HCFC-22. The discharge pressures for R-407C were higher in the range 11-13\% than HCFC-22. This paper also presents simulation results of heat exchangers of an HCFC-22 window air conditioner retrofitted with R-407C. The simulation has been carried out using EVAP-COND, a heat exchanger model developed by National Institute of Standards and Technology, U.S.A. The simulated evaporator capacities are within +/- 3\% of the experimentally measured cooling capacities for both refrigerants. Simulation results for R-407C and HCFC-22 are compared. The exit temperatures of R-407C are lower by 1.9 degrees C to 5.2 degrees C in the condenser and are higher by 3.2 degrees C to 3.8 degrees C in the evaporator than HCFC-22. Evaporating pressures of R-407C are higher by 4.5-5.3\% as compared to HCFC-22. The pressure drops of R-407C are lower in both the evaporator and the condenser as compared to HCFC-22. The outlet temperatures of air for HCFC-22 and R-407C in both heat exchangers are nearly the same. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {cooling capacity, COP, measurement, performance, power consumption, R-407C}, issn = {1359-4311}, doi = {10.1016/j.applthermaleng.2005.03.002}, author = {Devotta, S and Padalkar, AS and Sane, NK} } @article { ISI:000227393300019, title = {Phase transfer of oleic acid capped NicoreAgshell nanoparticles assisted by the flexibility of oleic acid on the surface of silver}, journal = {Journal of Colloid and Interface Science}, volume = {283}, number = {2}, year = {2005}, month = {MAR}, pages = {422-431}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The phase transfer protocols in vogue for the oleic acid capped silver nanoparticles, viz., salt-induced precipitation and redispersion or phosphoric acid-induced method, are examined and compared thoroughly. A comprehensive evaluation with respect to the mechanistic aspects involved is made and the merits and demerits of the different procedures are delineated. It is found that the salt-induced precipitation and redispersion is more versatile in that the precipitate can actually be redispersed in both aqueous and organic media. However, in terms of mechanism both the routes seem to be very similar wherein the orientational change of oleic acid on the silver surface in the two different environments-organic and aqueous-plays a crucial role in the adaptability of the system to the different environments. Subsequently, this change of orientation of oleic acid on silver surface in aqueous and organic media has been utilized to phase transfer Ni-based nanoparticulate systems. The nascent oleic acid-capped Ni nanoparticles, which were synthesized by a foam-based protocol, were dispersible in water but not in nonpolar organic media such as cyclohexane or toluene. Then, just by coating a thin shell of silver on them we could achieve complete phase transfer of the NicoreAgshell from aqueous to organic media following similar procedures used for oleic acid-capped silver nanoparticles. Here, the phase transfer seems to be facilitated by the orientational flexibility of oleic acid on the silver surface as opposed to other metal surfaces as evidenced from the infrared and thermogravimetric analyses of oleic acid-capped Ni and NicoreAgshell nanoparticles. This orientation-assisted phase transfer method could be generalized and can be adapted to other systems where, if the nascent nanoparticles cannot be phase transferred as is, they can be coated by a silver shell and oleic acid making them suitable for dispersion in both aqueous and organic media. (C) 2004 Elsevier Inc. All rights reserved.

}, keywords = {(1) HNMR, FTIR, Phase transfer, transmetalation core-shell nanoparticles, UV-Vis}, issn = {0021-9797}, doi = {10.1016/j.jcis.2004.09.018}, author = {Bala, Tanushree and Swami, A. and Bhagavatula L. V. Prasad and Sastry, M.} } @article { ISI:000232341100010, title = {Photodegradation of ethylene/propylene/polar monomers co- and terpolymers. I - Prepared by group 4 catalyst systems}, journal = {Journal of Macromolecular Science-Pure and Applied Chemistry}, volume = {A42}, number = {9}, year = {2005}, month = {SEP}, pages = {1259-1270}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

The photooxidative degradation behavior of polyethylene, its copolymers (propylene/polar monomers) and terpolymers, synthesized by a group 4 catalyst system, has been studied by Fourier transform infrared spectroscopy and confirmed with scanning elecrton microscopy for morphological changes. The kinetics of photodegradation has also been studied. Surface damage caused by polychromatic (\>= 290 nm) at 55 degrees C in air is presented in different micrographs. The rate of photodegradation is very fast in terpolymers containing polar monomers as compared with copolymers and polyethylene. Morphological study of these photodegraded samples showed a very good relation with photodegradation results.

}, keywords = {functional polyolefins, Photodegradation, UV irradiation}, issn = {1060-1325}, doi = {10.1080/10601320500189570}, author = {Fernandes, Susete N. and Correia, Sandra and Prasad, A. V. and Reddy, K. R. and Rana, S. and Lonkar, Sunil P. and Marques, Maria M. and Singh, R. P.} } @article { ISI:000230436500003, title = {Photoluminescent core-shell particles of organic dye in silica}, journal = {Journal of Luminescence}, volume = {114}, number = {1}, year = {2005}, month = {JUL}, pages = {15-23}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Using a single silica precursor, Rhodamine 6G organic dye molecules have been entrapped in silica particles resulting into core-shell particles of similar to 500 nm diameter. Energy dispersive X-ray analysis, X-ray photoelectron spectroscopy and transmission electron microscopy analysis reveals that dye molecules are trapped inside the silica particles. Photoluminescence investigations show that highly luminescent and photostable core-shell particles are formed. Such core-shell particles can be easily suspended in water and would be useful for a variety of applications. However, there is a blue shift in the photolumineseence wavelength in case of core-shell particles compared to bare dye powder sample. (c) 2004 Elsevier B.V. All rights reserved.

}, keywords = {core-shell, Luminescence, Nanoparticles, photoemission, RH06G dye, tetraethylorthosilicate (TEOS)}, issn = {0022-2313}, doi = {10.1016/j.jlumin.2004.11.005}, author = {Ethiraj, Anita S. and Hebalkar, Neha and Kharrazi, Sharmin and Urban, J. and Sainkar, S. R. and Kulkarni, S. K.} } @article { ISI:000231365900024, title = {PNA C-C+ i-motif: superior stability of PNA TC8 tetraplexes compared to DNA TC8 tetraplexes at low pH}, journal = {Chemical Communications}, number = {34}, year = {2005}, month = {JUL}, pages = {4330-4332}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Study of self-assembly of PNA TC8 monitored by UV thermal transition at 295 nm indicates formation of a C-C+ tetraplex (i-motif) in acidic pH, with higher stability than the analogous dTC(8).

}, issn = {1359-7345}, doi = {10.1039/b506870c}, author = {Sharma, NK and Ganesh, Krishna N.} } @article { ISI:000233515400012, title = {Podborer (Helicoverpa armigera Hubn.) does not show specific adaptations in gut proteinases to dietary Cicer arietinum Kunitz proteinase inhibitor}, journal = {Journal of Insect Physiology}, volume = {51}, number = {11}, year = {2005}, month = {NOV}, pages = {1268-1276}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We investigated the response of Helicoverpa armigera larvae towards ingestion of Cicer arietinum Kunitz proteinase inhibitor (CaKPI), which caused antagonistic effects on developing H. armigera larvae. CaKPI-degrading proteinases were not detectable in either control or sensitized larvae. There were negligible increases in total proteinase activity, as well as in trypsin-like and chymotrypsin-like activities of H. armigera gut proteinases (HGPs). Decrease in sensitivity of HGPs to inhibition by CaKPI was not observed when the inhibitor was fed Suggesting that the insect had not shown a specific adaptive response to dietary CaKPI. Semi-quantitative reverse transcriptase polymerase chain reaction (Q RT-PCR) analysis showed a general up-regulation of proteases in larvae that ingested CaKPI and a specific regulation of individual transcripts was not observed. CaKPI had maximum inhibitory activity against HGP derived from fourth instar larvae. CaKPI was equally potent in inhibition of HGPs derived from larvae fed on different host plants, as well as various proteinase inhibitors (Pis) to which larval adaptation was previously reported. The lack of larval response to CaKPI was attributable to the atypical active site sequence and inhibitory activity of CaKPI and/or to the pre-adaptation of H. armigera larvae due to the constant exposure to basal levels of CaKPI in chickpea seeds or a chickpea seed-based diet. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Cicer arietinum, Helicoverpa armigera, insect response, proteinase, Proteinase inhibitor}, issn = {0022-1910}, doi = {10.1016/j.jinsphys.2005.07.005}, author = {Srinivasan, A. and Chougule, Nanasaheb P. and Giri, Ashok P. and Gatehouse, J. A. and Gupta, Vidya S.} } @article { ISI:000232326700015, title = {Porous gold nanospheres by controlled transmetalation reaction: a novel material for application in cell imaging}, journal = {Chemistry of Materials}, volume = {17}, number = {20}, year = {2005}, month = {OCT}, pages = {5000-5005}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Hollow shell nanostructures have numerous potential applications due to their interesting optical and electronic properties, which can be tuned by varying their shape, size, and shell thickness. In this paper we describe a simple galvanic replacement reaction (transmetalation reaction) involving sacrificial silver nanoparticles and Au(III) ions using a dialysis membrane. The dialysis membrane acts as a partial barrier that provides excellent control over the kinetics of reaction. This process results in the formation of porous gold nanospheres that improve the fluorescence in cell staining by offering an enhanced surface area for binding of the fluorescent dye, propidium iodide (PI). Such porous nanostructures could be ideal candidates for applications such as catalysis, enzyme immobilization, and drug delivery.

}, issn = {0897-4756}, doi = {10.1021/cm051165f}, author = {Shukla, Sourabh and Priscilla, Anie and Banerjee, Meenal and Bhonde, Ramesh R. and Ghatak, J. and Satyam, P. V. and Sastry, Murali} } @article { ISI:000233539200049, title = {Preorganizing linear (self-complementary) quadruple hydrogen-bonding arrays using intramolecular hydrogen bonding as the sole force}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {24}, year = {2005}, month = {NOV}, pages = {10067-10072}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this article we describe a rational approach for prefixing multiple cooperative binding sites in an ideal spatial arrangement on a structurally rigid backbone, constrained exclusively by intramolecular hydrogen bonding. The idea is exemplified by the ability of the self-assembling constructs la-e and 2a,b to form hydrogen-bonded dimers, whose structural preorganization has been solely effected by intramolecular hydrogen bonding. The readily accessible amidinourea backbone has been used as a common platform for the construction of a variety of such self-assembling systems. ESI mass spectrometry and single-crystal X-ray diffraction studies have been particularly effective in investigating the self-assembling propensities of these systems. Remarkably, most the H-bonded dimers reported herein undergo an unusual mode of self-assembly, using intermolecular four-membered ring hydrogen-bonded interaction, affording extended supramolecular networks.

}, issn = {0022-3263}, doi = {10.1021/jo051768a}, author = {Prabhakaran, Panchami and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI:000226756100018, title = {Preparation, characterization, and water-sorption study of polyvinyl alcohol based hydrogels with grafted hydrophilic and hydrophobic segments}, journal = {Journal of Applied Polymer Science}, volume = {95}, number = {5}, year = {2005}, month = {MAR}, pages = {1129-1142}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The interpenetrating polymer network hydrogels based on poly(vinyl alcohol) were obtained by graft copolymerization of acrylamide and styrene onto polyvinyl alcohol in the presence of N,N{\textquoteright}-methylene bisacrylamide as a crosslinking agent. The hydrogels were characterized by optical microscopy, scanning electron microscopy, infrared spectral analysis, differential scanning calorimeter, and thermogravimetric analysis. The hydrogels showed enormous swelling in aqueous medium and displayed swelling characteristics, which were highly dependent on the chemical composition of the hydrogels and pH of the swelling medium. The kinetics of water uptake and the mechanisms of water transport were studied as a function of composition of the hydrogel and pH of the swelling medium. (C) 2005 Wiley Periodicals, Inc.

}, keywords = {Characterization, equilibrium swelling, grafting, IPN hydrogels, polyvinyl alcohol}, issn = {0021-8995}, doi = {10.1002/app.21344}, author = {Shukla, S. and Bajpai, A. K. and Kulkarni, R. A.} } @article { ISI:000228253200008, title = {Preparation of nanocrystalline ferroelectric BaNb(2)O6 by citrate gel method}, journal = {Bulletin of Materials Science}, volume = {28}, number = {2}, year = {2005}, month = {APR}, pages = {121-123}, publisher = {INDIAN ACADEMY SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A gel was formed when a aqueous solution of BaCl2, NbF5 and citric acid in stoichiometric ratio is heated on a water bath. This gel on decomposition at 600 degrees C yielded the nano crystallites of BaNb2O6, as confirmed by X-ray diffraction study (XRD). This is a much lower temperature as compared to that prepared by traditional solid state method (1000 degrees C) as reported for the formation of BaNb2O6. Transmission electron microscopic. (TEM) investigations revealed that the average particle size is 50 nm for the calcined powders. The room temperature dielectric constant at 1 kHz is found to be 1000. The ferroelectric hysteresis loop parameters of these samples were also studied.

}, keywords = {Ceramics, Chemical synthesis, electronic material, ferroelectricity, Oxides}, issn = {0250-4707}, doi = {10.1007/BF02704230}, author = {Gaikwad, S. P. and Samuel, V and Pasricha, R and Ravi, V} } @article { ISI:000230275100022, title = {Preparation of nanocrystalline LiNbO3 by citrate gel method}, journal = {Materials Letters}, volume = {59}, number = {19-20}, year = {2005}, month = {AUG}, pages = {2476-2478}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A gel was formed when an aqueous solution of Li(NO3) NbF5 and citric acid in stoichiometric ratio is heated in a water bath at 100 degrees C. This gel on decomposition at 700 degrees C produced the fine crystallites of ternary oxide, LiNbO3 (LN). The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Ceramics, Electron microscopy, electronic materials, lithium niobate, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.03.028}, author = {Navale, SC and Samuel, V and Ravi, V} } @article { ISI:000231605600002, title = {Preparation of ultrafine LiTaO3 powders by citrate gel method}, journal = {Bulletin of Materials Science}, volume = {28}, number = {5}, year = {2005}, month = {AUG}, pages = {391-393}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A gel was formed when a aqueous solution of Li(NO3), TaF5 and citric acid in stoichiometric ratio was heated in a water bath. This gel on decomposition at 700 degrees C produced fine crystallites of ternary oxide, LiTaO3 (LT). The phase contents and lattice parameters were studied by powder X-ray diffraction (XRD). Particle size and morphology were studied by transmission electron spectroscopy (TEM).

}, keywords = {Ceramics, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0250-4707}, doi = {10.1007/BF02711224}, author = {Navale, SC and Samuel, V and Ravi, V} } @article { ISI:000232886800001, title = {Proceedings of the National Conference on Nanoscience and Technology Part I - National Chemical Laboratory - Pune - 7-8 March 2005 - Foreword}, journal = {Pramana-Journal of Physics}, volume = {65}, number = {4, SI}, year = {2005}, month = {OCT}, pages = {547-548}, publisher = {INDIAN ACAD SCIENCES}, type = {Editorial Material}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0304-4289}, author = {Sood, AK and Ganesh, Krishna N. and Sundar, CS and Raychaudhuri, AK} } @article { ISI:000233616100001, title = {Proceedings of the National Conference on Nanoscience and Technology - Part II - Foreword}, journal = {Pramana-Journal of Physics}, volume = {65}, number = {5, SI}, year = {2005}, month = {NOV}, publisher = {INDIAN ACAD SCIENCES}, type = {Editorial Material}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0304-4289}, author = {Sood, AK and Ganesh, Krishna N. and Sundar, CS and Raychaudhuri, AK} } @article { ISI:000228698900038, title = {PVA stabilized gold nanoparticles by use of unexplored albeit conventional reducing agent}, journal = {Materials Chemistry and Physics}, volume = {92}, number = {1}, year = {2005}, month = {JUL}, pages = {229-233}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Poly(vinyl alcohol) (PVA) stabilized gold nanoparticles have been prepared in aqueous medium using two different reducing viz.; hydrazine hydrate, a stronger reducing agent and sodium formaldehydesulfoxylate (SFS), a slightly weaker reducing agent. SFS is used for first ever time for reduction of gold metal salt. The PVA stabilized gold nanoparticles solutions are wine red to blood red coloured and are stable over a long period of time with no indication of aggregation. The solution shows strong visible light absorptions in the range of 520-540 nm, characteristics of gold nanoparticles. Powder X-ray diffraction patterns of freshly prepared films containing gold nanoparticles indicated particles size to be about 15 nm. Transmission electron microscopy (TEM) of a more than two-week-old sample revealed well-defined non-agglomerated spherical particles of about 50 nm diameter in solutions. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, electronic materials, Nanostructures, Polymer}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.01.016}, author = {Khanna, P. K. and Gokhale, R. and Subbarao, V. V. V. S. and Vishwanath, A. K. and Das, B. K. and Satyanarayana, C. V. V.} } @article { ISI:000228413800008, title = {Pyrazole-tethered heteroditopic ligands and their transition metal complexes: synthesis, structure, and reactivity}, journal = {European Journal of Inorganic Chemistry}, number = {7}, year = {2005}, month = {APR}, pages = {1254-1263}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Various pyrazole-based PN (2a-c) and N,N (3a-b) ligands have been synthesized. Using representative ligands, Ni-II, Co-II, Cu-II, and Cu-I complexes have been prepared and structurally characterized by crystallography. During complexation of Co-II and Cu-II salts, the phosphane part of the PN ligand oxidized to phosphane oxide. For N,N donor ligands, a dimeric chloro-bridged Ni-III complex was obtained. Ni-II complex 4 is an active catalyst for ethylene oligomerization. ((c) Wiley-VCH Verlag GmbH \& Co. KGaA, 69451 Weinheirn, Germany, 2005).

}, keywords = {cobalt, Copper, hemilabile ligands, Nickel, oligomerization, Pyrazole}, issn = {1434-1948}, doi = {10.1002/ejic.200400818}, author = {Mukherjee, Anuradha and Subramanyam, U. and Puranik, Vedavati G. and Mohandas, T. P. and Sarkar, A.} } @conference { ISI:000238054400287, title = {Reactivity descriptors: conceptual and computational developments}, booktitle = {International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005)}, series = {LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES}, volume = {4A-4B}, year = {2005}, note = {International Conference on Computational Methods in Sciences and Engineering (ICCMSE 2005), Corinth, GREECE, OCT 21-26, 2005}, month = {OCT}, pages = {1172-1174}, publisher = {Vsp BV-C/o Brill Acad Publ, Po Box 9000, 2300 Pa Leiden, Netherlands}, organization = {Vsp BV-C/o Brill Acad Publ, Po Box 9000, 2300 Pa Leiden, Netherlands}, address = {Corinth, Greece}, isbn = {90-6764-443-9}, issn = {1573-4196}, author = {Pal, Sourav}, editor = {Simos, T. and Maroulis, G.} } @article { ISI:000226290900011, title = {Rearrangement of allyl phenyl ether over Al-MCM-41}, journal = {Journal of Catalysis}, volume = {229}, number = {1}, year = {2005}, month = {JAN}, pages = {105-113}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Claisen rearrangement of allyl phenyl ether to o-allylphenol and a dihydrobenzofuran derivative was investigated over MCM-41 with different Si/Al ratios. Higher aluminum content, higher reaction temperatures, and longer run duration favor the formation of the ring compound 2,3-dihydro-2-methyl benzofuran. There is a close relationship between acidity and conversion, which suggests that the reaction occurs inside the large pores of MCM-41. The influence of temperature and catalyst Si/Al ratio on the reaction are examined by kinetic analysis, under the assumption of a first-order consecutive reaction. (C) 2004 Elsevier Inc. All rights reserved.

}, keywords = {Al-MCM-41, allyl phenyl ether, Claisen rearrangement, Mesoporous material, molecular rearrangement, Solid acids}, issn = {0021-9517}, doi = {10.1016/j.jcat.2004.09.027}, author = {Mathew, Nevin T. and Khaire, S. and Mayadevi, S. and Jha, Ratnesh Kumar and Sivasanker, S.} } @article { ISI:000229119800001, title = {Recent advances in biodegradable nanocomposites}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {5}, number = {4}, year = {2005}, month = {APR}, pages = {497-526}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

There is growing interest in developing bio-based products and innovative process technologies that can reduce the dependence on fossil fuel and move to a sustainable materials basis. Biodegradable bio-based nanocomposites are the next generation of materials for the future. Renewable resource-based biodegradable polymers including cellulosic plastic (plastic made from wood), corn-derived plastics, and polyhydroxyalkanoates (plastics made from bacterial sources) are some of the potential biopolymers which, in combination with nanoclay reinforcement, can produce nanocomposites for a variety of applications. Nanocomposites of this category are expected to possess improved strength and stiffness with little sacrifice of toughness, reduced gas/water vapor permeability, a lower coefficient of thermal expansion, and an increased heat deflection temperature, opening an opportunity for the use of new, high performance, lightweight green nanocomposite materials to replace conventional petroleum-based composites. The present review addresses this green material, including its technical difficulties and their solutions.

}, keywords = {cellulose, layered silicates and properties, Nanocomposite, poly(caprolactone)s, poly(hydroxy alkanoate)s, polyiactic acid, Starch}, issn = {1533-4880}, doi = {10.1166/jnn.2005.111}, author = {Pandey, J. K. and Kumar, A. P. and Misra, M. and Mohanty, A. K. and Drzal, L. T. and Singh, R. P.} } @conference { ISI:000229432300024, title = {Recent applications of chloroaluminate ionic liquids in promoting organic reactions}, booktitle = {Symposium on Ionic Liquids - Fundamentals, Progress, Challenges and Opportunities held at the 226th American-Chemical-Society National Meeting}, series = {ACS Symposium Series}, volume = {902}, year = {2005}, note = {Symposium on Ionic Liquids - Fundamentals, Progress, Challenges and Opportunities held at the 226th American-Chemical-Society National Meeting, New York, NY, SEP 07-11, 2003}, month = {SEP}, pages = {350-370}, publisher = {Amer Chemical Soc, 1155 Sixteenth ST NW, Washington, DC 20036 USA}, organization = {Amer Chemical Soc, 1155 Sixteenth ST NW, Washington, DC 20036 USA}, address = {New York, USA}, abstract = {

Chloroaluminate ionic liquids composed of AICl(3) and organic cations can promote a variety of organic reactions. The composition of these chloroaluminate ionic liquids governs the acidity and basicity of solvent media, in which the reactions are carried out. Useful physico-chemical properties of these ionic liquids and the recent work on their role in accelerating organic reactions are described in the present article.

}, isbn = {0-8412-3893-6}, issn = {0097-6156}, author = {Kumar, Anil and Sarma, Diganta}, editor = {Rogers, R. D. and Seddon, K. R.} } @article { ISI:000231744300010, title = {Regression models using pattern search assisted least square support vector machines}, journal = {Chemical Engineering Research and Design}, volume = {83}, number = {A8}, year = {2005}, month = {AUG}, pages = {1030-1037}, publisher = {INST CHEMICAL ENGINEERS}, type = {Article}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

Least Square Support Vector Machines (LS-SVM), a new machine-learning tool has been employed for developing data driven models of non-linear processes. The method is firmly rooted in the statistical learning theory and transforms the input data to a higher dimensional feature space where the use of appropriate kernel functions avoid computational difficulty. Further, a pattern search algorithm, which explores multiple directions and utilizes coordinate search with fixed step size, is employed for selecting optimal LS-SVM model that produces a minimum possible prediction error. To show the efficacy and efficiency of the fully automated pattern search assisted LS-SVM methodology, we have tested it on several benchmark examples. The study suggests that proposed paradigm can be a useful and viable tool in building data driven models of non-linear processes.

}, keywords = {equality constraints, LS-SVM, model selection, Optimization, pattern search}, issn = {0263-8762}, doi = {10.1205/cherd.03144}, author = {Patil, N. S. and Shelokar, P. S. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article { ISI:000228867800003, title = {Response of trichogramma chilonis to infochemicals: an SEM and electrophysiological investigation}, journal = {Biocontrol}, volume = {50}, number = {3}, year = {2005}, month = {JUN}, pages = {429-447}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The external morphology and peripheral olfactory responses of antennal chemoreceptors of Trichogramma chilonis Ishii (Hymenoptera:Trichogrammatidae) to host related stimuli were examined by SEM and EAG technique respectively. The antennae of male and female T. chilonis reveal strong sexual dimorphism in structure as well as in types, density and distribution of individual sensillar types. The female antennae are characterized by the presence of a single uniporous sensilla on the apical tip of the dome and numerous multiporous pitted sensilla. Sensilla common to both males and females include the multiporous plate sensilla, the peg sensilla and trichoid sensilla. Differences between males and females occur with respect to their EAG profiles to 22 chemicals commonly found in plants viz., hexanal, β-pinene, citronellal, terpinene, citronellol, phytol, caryophyllene, R-(+)-limonene, linalool, carvacrol, cis-3-hexen-1-ol, ethanol, α-pinene, trans-2-hexanal, α-phellandrene, amyl acetate, cineole, quinolene, S-(-)limonene, β-myrcene, carvone, terpineol; hexane leaf extracts of three host plants of Helicoverpa armigera (cotton, chickpea and pigeon pea) and hexane scale extracts of adult males and females of H. armigera. Individually, the largest peak amplitudes in females were obtained with citronellal, phytol, caryophyllene, R-(+)-limonene, linalool, carvacrol and citronellol while in males citronellol, caryophyllene, linalool, R-(+)-limonene and amyl acetate caused the highest response. Among the different chemical classes, the largest peak amplitudes in females were obtained with oxygenated monoterpenes, while in males, fatty acid derivatives caused the highest response. In both males and females, the hydrocarbon monoterpenes caused the least response. Thus, the wide spectrum response of Trichogramma chilonis, to a wide group of chemicals belonging to different chemical classes, though varying, nevertheless suggests that using plant information enhances its parasitization efficiency.

}, keywords = {antennae, Chickpea, cotton, EAG, parasitoid, pigeon pea, scanning electron microscopy, Trichogramma chilonis, Volatiles}, issn = {1386-6141}, doi = {10.1007/s10526-004-1295-1}, author = {Sen, A and Raina, R and Joseph, Mary P. and Tungikar, VB} } @article {42687, title = {Reversible transformations of gold nanoparticle morphology}, journal = {Langmuir}, volume = {21}, year = {2005}, month = {SEP}, pages = {10280{\textendash}10283}, type = {Article}, abstract = {

Herein is reported a metamorphosis taking place in a gold nanosized system. The observed phenomenon of shape and size transformations was found to be completely reversible. Unlike most procedures in the literature where shape and size control occur in the synthetic step by adding growth- and shape-controlling agents such as surfactants or polymers, in this system postsynthetic changes in shape and size can be carried out simply by changing the ratio of reactive, competing reagents, more specifically, alkylthiols versus tetralkylammonium salts. Interestingly, the transfer of gold metal occurs (large prismatic particles to small particles and vice versa) under the influence of reagents that do not cause such interactions with bulk gold. All intermediate steps of the morphology change were observed using HRTEM and electron diffraction. The processes of breaking down and {\textquotedblleft}welding back{\textquotedblright} solid metal nanoparticles occur under mild conditions and are remarkable examples of the unique chemical properties of nanomaterials. The described process is expected to be relevant to other nanoscale systems where similar structural circumstances could occur.

}, doi = {10.1021/la051699v}, author = {Stoeva, Savka I. and Zaikovski, Vladimir and Bhagavatula L. V. Prasad and Stoimenov, Peter K. and Sorensen, Christopher M. and Klabunde, Kenneth J.} } @article { ISI:000231067500001, title = {Role of Mg ions in modulating the morphology and structure of CaCO3 crystals grown in aqueous foams}, journal = {CrystEngComm}, volume = {7}, year = {2005}, month = {JUL}, pages = {469-475}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We investigate the role of magnesium ions in modulating the morphology and crystallography of CaCO3 crystals grown in aqueous foam. This is accomplished by first making foams from an aqueous mixture of CaCl2+MgCl2 and the anionic surfactant aerosol-OT (AOT) followed by reaction of the foam with Na2CO3 solution. The Ca2+ and Mg2+ ions electrostatically complex with AOT and react with Na2CO3 within the foam to yield CaCO3 crystals of interesting morphology. These studies indicate that CaCO3 in a fractured, needle-like morphology was formed at high Mg2+ concentrations in the foam whereas porous, rhombic CaCO3 crystals were obtained at low Mg2+ concentrations. The effect of water drainage time and thereby, the structure of the foam on the morphology of the CaCO3 crystals grown was also studied.

}, issn = {1466-8033}, doi = {10.1039/b501420b}, author = {Rautaray, Debabrata and Kasture, Manasi and Sastry, M.} } @article { ISI:000227930800010, title = {Room temperature ionic liquid promoted improved and rapid synthesis of 2,4,5-triaryl imidazoles from aryl aldehydes and 1,2-diketones or alpha-hydroxyketone}, journal = {Tetrahedron}, volume = {61}, number = {14}, year = {2005}, month = {APR}, pages = {3539-3546}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An improved and rapid one-pot synthesis of 2,4,5-triaryl imidazoles in a room temperature ionic liquid is described, which does not need any added catalyst. Different ionic liquids based on 1-n-butyl and 1,3-di-n-butyl imidazolium salts were screened and their efficacy in terms of acidity and polarity have been correlated with yields and reaction period. The one-pot methodology resulting in excellent isolated yields in short reaction times is characterized by simple work up procedures and efficient recovery and recycling of the ionic liquid, which acts as a promoter. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2, 2-Diketones, 4, 5-triaryl imidazoles, alpha-hydroxyketone, ammonium acetate, benzaldehydes, ionic liquid (IL)}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.116}, author = {Siddiqui, S. A. and Narkhede, U. C. and Palimkar, S. S. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, K. V.} } @article { ISI:000226532000006, title = {Selective synthesis of N,N-dimethyl aniline derivatives using dimethyl carbonate as a methylating agent and onium salt as a catalyst}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {226}, number = {1}, year = {2005}, month = {FEB}, pages = {49-56}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

N-Alkylation of anilines by dimethyl carbonate (DMC) catalyzed by onium salts has been demonstrated. The work presented here shows that a simple catalytic system consisting of onium salts in the presence of a small amount of water is extremely effective in enhancing the DMC mediated N-alkylation of anilines to dialkylated products. The effect of reaction conditions on the synthesis of N,N-dimethyl aniline (NNDMA) from aniline and DMC has been investigated. Under the optimized conditions highest yield of NNDMA obtained was 99.8\%, which is the best reported for liquid phase N-alkylation of aniline using DMC. The role of water in enhancing the yield of NNDMA is explained and a reaction-networking scheme is constructed, which summarizes the chemistry behind liquid phase N-alkylation of anilines by DMC. The catalyst has been shown to recycle up to five times and at the end of fifth recycle almost 98\% of NNDMA yields were obtained. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {Aniline, Dimethyl carbonate, methylation, N, N-alkylation, N-dimethyl aniline, onium salts}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.09.025}, author = {Shivarkar, A. B. and Gupte, S. P. and Chaudhari, Raghunath V.} } @article { ISI:000228436200035, title = {Self-assembly of nanostructured PbS for solar photovoltaic applications}, journal = {Materials Chemistry and Physics}, volume = {91}, number = {2-3}, year = {2005}, month = {JUN}, pages = {447-453}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

In the present communication, the self-assembly of nanocrystalline PbS at the liquid-liquid interface is reported. The PbS nanocrystals were, subsequently, transformed in the form of thin films by dip coating. The resultant Q-PbS films were characterized by SEM-EDAX, TEM-SAED, XRD, XPS and UV-vis Spectroscopy. Pyramidal features at the nanometer scale, preferred orientation along (2 2 0) and (4 0 0) planes of cubic structure and a sharp excitonic peak at 656 run are the salient aspects of this work. The band-gap of the order of 1.8 eV (associated with the excitonic feature) is ideally suited for solar photovoltaic applications. (c) 2004 Elsevier B.V. All rights reserved.

}, keywords = {Liquid-liquid interface, nanopyramid, Nanostructures, PbS}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2004.12.007}, author = {Hawaldar, Ranjit R. and Kanade, K. G. and Patil, K. R. and Sathaye, S. D. and Mulik, Uttam P. and Amalnerkar, Dinesh P.} } @article { ISI:000230909100041, title = {Self-assembly with degenerate prototropy}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {16}, year = {2005}, month = {AUG}, pages = {6461-6467}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

This work describes a rational approach for addressing the prototropy-related problems in heterocycle-based self-assembling systems by the use of degenerate prototropy. As a proof of principle, the utility of degenerate prototropy is demonstrated herein by developing heterocycle-based AADD-type self-assembling modules that exist as {\textquoteleft}{\textquoteleft}single set of protameric pair (duplex){\textquoteright}{\textquoteright} in both solution and solid states. These self-assembling modules are quickly accessible in good yield by reacting 2-amino-5,5-disubstituted-1H-pyrimidine-4,6-diones, available in one step by the condensation of (x,a-dialkyl malonates and free guanidine, with isocyanates. Evidence from NMR spectroscopy, ESI mass spectrometry, and single-crystal X-ray diffraction studies confirmed the formation of molecular duplexes. The effect of electronic repulsion in duplex formation is also investigated. Their ready synthetic accessibility, remarkably high propensity to crystal formation, and the novel property of degenerate prototropy would make these novel self-assembling molecules promising candidates for many proposed applications.

}, issn = {0022-3263}, doi = {10.1021/jo0508705}, author = {Baruah, Pranjal K. and Gonnade, Rajesh G. and Phalgune, U. D. and Sanjayan, G. J.} } @article { ISI:000228940600001, title = {Short S=O center dot center dot center dot C=O contacts associate diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoformate in their inclusion complexes}, journal = {Crystal Growth \& Design}, volume = {5}, number = {3}, year = {2005}, month = {MAY}, pages = {833-836}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoformate are linked via short S=O\&BULL;\&BULL;\&BULL; C=O contacts ranging from 2.890 to 3.140 \&ANGS; (sum of the van der Waals radii of O and C atoms 3.22 \&ANGS;) in all the inclusion complexes formed with organic guest solvents having a C2 symmetry. Although a search for S= O\&BULL;\&BULL;\&BULL; C=O interactions in the CSD showed a sizable number of structures, this communication recognizes its significance for the first time in the formation of molecular assemblies. In all the crystals in the present study except the solvent-free form, the S=O bond points almost perpendicularly to the Csp2 atom of the C=O group. This was also the most frequently observed geometrical approach in CSD analysis. The solvent-free form shows dimer formation via C-H\&BULL;\&BULL;\&BULL; O interaction, which has longer S=O\&BULL;\&BULL;\&BULL; C=O contacts.

}, issn = {1528-7483}, doi = {10.1021/cg049621k}, author = {Manoj, Kochunnoonny and Sureshan, K. M. and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000228633100020, title = {Silicotungstate-modified zirconia as an efficient catalyst for phenol tert-butylation}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {233}, number = {1-2}, year = {2005}, month = {MAY}, pages = {141-146}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The alkylation of phenol with tert-butanol was investigated using zirconia modified with silicotungstic acid (STA) as catalysts. The catalysts with different STA loading (5-25 wt.\% calcined at 750 degrees C) and calcination temperature (15 wt.\% calcined from 350 to 850 degrees C) were prepared and characterized by X-ray diffraction and NH3-TPD measurements. The XRD results indicate that STA stabilizes the tetragonal phase of zirconia. The catalyst with 15\% STA on ZrO2 calcined at 750 degrees C shows the highest acidity and hence highest activity. Under the reaction conditions of 140 degrees C, tert-butanol/phenol molar ratio of 2 and LHSV of 4 h(-1), phenol conversion was 95.4\% with selectivity to 2-tert-butyl phenol 4.3\%, 4-tert-butyl phenol 59.2\% and 2,4-di-tert-butyl phenol 35.8\%. The reaction was studied as a function of time for 50 It without appreciable change in phenol conversion and product selectivity. The deactivated catalyst could be regenerated by calcination with out appreciable lose in catalytic activity and product selectivity. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {phenol, Silicotungstic acid, tert-butylation, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.02.021}, author = {Devassy, Biju M. and Shanbhag, G. V. and Mirajkar, Subhash P. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000231605600022, title = {Silver nanoparticles of variable morphology synthesized in aqueous foams as novel templates}, journal = {Bulletin of Materials Science}, volume = {28}, number = {5}, year = {2005}, month = {AUG}, pages = {503-510}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

In this paper, we describe the synthesis of silver nanocrystals within aqueous foams as a template More specifically, we show that aqueous Ag+ ions may be electrostatically complexed with the anionic surfactants aerosol OT (sodium bis-2-ethylhexyl-sulfosuccinate, (AOT) and sodium dodecyl sulphate (SDS)) in a highly stable liquid foam. After drainage of the foam, the silver ions are reduced in situ by introducing sodium borohydride into the foam by capillary flow. This leads to the formation of silver nanoparticles of spherical, tape- and sheet-like morphology in the foam. The structure of the foam is extremely complex and presents reaction sites of different spatial extent. The differences in foam reaction-site geometry are believed to be responsible for the morphology variation in the silver nanoparticles observed. The silver nanoparticles are observed to be extremely stable in solution suggesting that the AOT or SDS molecules stabilize them. This approach appears promising for application in large-scale synthesis of nanoparticles and may be readily extended to other chemical compositions.

}, keywords = {Chemical synthesis, composites, foam, Intercalation, Nanoparticles}, issn = {0250-4707}, doi = {10.1007/BF02711244}, author = {Mandal, Sujata and Arumugam, S. K. and Pasricha, R. and Sastry, M.} } @article { ISI:000227321500008, title = {Simple oxalate precursor route for the preparation of barium-strontium titanate: Ba1-xSrxTiO3 powders}, journal = {Materials Characterization}, volume = {54}, number = {1}, year = {2005}, month = {JAN}, pages = {63-74}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

A simple one-step cation-exchange reaction between the stoichiometric solutions of ammonium titanyl oxalate (ATO) and barium hydroxide+strontium nitrate at room temperature (RT) is investigated successfully for the quantitative precipitation of barium-strontium titanyl oxalate (BSTO): Ba1-xSrxTiO(C2O4)(2).4H(2)O (x=0.25) precursor powders with nearly theoretical yield (greater than or equal to99\%). The pyrolysis of BSTO at 730degreesC/4 h in air produced barium-strontium titanate (Ba1-xSrxTiO3; BST) powders. The characterization studies on BSTO and BST powders by using various physico-chemical techniques: micro- and chemical analysis, differential thermal analysis (DTA)/thermo-gavimetric analysis (TGA), XRD, FTIR, X-ray fluorescence (XRF) and scanning electron microscopy (SEM) revealed that the powders formed are cubic, highly pure, stoichiometric and sub-micron-sized with nearly uniform size and shape distribution. The ceramic compacts obtained by sintering the BST pellets at 1300degreesC/4 It showed density similar to95\%, dielectric constant epsilon(Tc)similar to9500, tan delta-0.15\% and T(C)similar to32 degreesC. (C) 2004 Elsevier Inc. All rights reserved.

}, keywords = {barium-strontium titanate, barium-strontium titanyl oxalate, permittivity, XRF}, issn = {1044-5803}, doi = {10.1016/j.matchar.2004.11.002}, author = {Khollam, Y. B. and Deshpande, S. B. and Potdar, H. S. and Bhoraskar, S. V. and Sainkar, S. R. and Date, Sadgopal K.} } @article { ISI:000229376400013, title = {Simplistic expedient and practical synthesis of (+/-)-alpha-lipoic acid}, journal = {Synthesis-Stuttgart}, number = {8}, year = {2005}, month = {MAY}, pages = {1297-1300}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Synthesis of a-lipoic acid has been achieved by a simple sequence of reactions. The synthesis highlights the use of alpha-chloroesters in a Reformatsky reaction. The intermediate keto acid is an intermediate from which both isomers of lipoic acid can be prepared.

}, keywords = {alpha-chloroesters, alpha-lipoic acid, Ozonolysis, Reformatsky reaction}, issn = {0039-7881}, doi = {10.1055/s-2005-861867}, author = {Chavan, Subhash P. and Shivsankar, K. and Pasupathy, K.} } @article { ISI:000231534100002, title = {On the single-root approach within the framework of coupled-cluster theory in fock space}, journal = {Chemical Physics}, volume = {315}, number = {3}, year = {2005}, month = {AUG}, pages = {240-250}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A thorough formulation of Fock Space Brillouin-Wigner Coupled Cluster method is presented following previous developments [N.D.K. Petraco, L Horny, H.F. Schaefer, I. Hubac, J. Chem. Phys. 117 (2002) 9580]. The new method is designed to avoid the intruder states problem, and introduces the single-root solution feature which has not been considered yet within valence-universal methods. The explicit equations for the (0,1) sector of the Fock space are introduced. (C) 2005 Elsevier B.V. All rights reserved.

}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2005.03.020}, author = {Horny, L and Schaefer, HF and Hubac, I and Pal, S} } @article { ISI:000226614200005, title = {Solvent-adaptable silver nanoparticles}, journal = {Langmuir}, volume = {21}, number = {3}, year = {2005}, month = {FEB}, pages = {822-826}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A simple and efficient way of obtaining silver nanoparticles that are dispersible both in organic and in aqueous solvents using a single capping agent is described. The silver nanoparticles are initially prepared in water in the presence of aerosol OT [sodium bis(2-ethylhexyl)-sulfosuccinate, AOT]. Thereafter, transfer of the AOT-capped silver nanoparticles to an organic phase is induced by the addition of a small amount of orthophosphoric acid during shaking of the biphasic mixture. The AOT-stabilized silver nanoparticles could be separated out from the organic phase in the form of a powder. The hydrophobic nanoparticles thus prepared are stable and are readily resuspended in a variety of other polar (including water) and nonpolar solvents without further surface treatment. The amphiphatic nature of the silver surface is brought about by a small orientational change in the AOT monolayer on the silver surface in response to the polarity of the solvent.

}, issn = {0743-7463}, doi = {10.1021/la047707+}, author = {Bhagavatula L. V. Prasad and Arumugam, S. K. and Bala, Tanushree and Sastry, M.} } @article { ISI:000228765100019, title = {Structure of poly(L-lactic acid)s prepared by the dehydropolycondensation of L-lactic acid with organotin catalysts}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {43}, number = {10}, year = {2005}, month = {MAY}, pages = {2164-2177}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The synthesis of low-molecular-weight (weight-average molecular weight \< 45,000 g/mol) lactic acid polymers through the dehydropolycondensation of L-lactic acid was investigated. Polymerizations were carried out in solution with solvents (xylene, mesitylene, and decalin), without a solvent using different Lewis acid catalysts (tetraphenyl tin and tetra-n-butyldichlorodistannoxane), and at three different polymerization temperatures (143, 165, and 190 degrees C). The products were characterized with differential scanning calorimetry, size exclusion chromatography, vapor pressure osmometry, C-13 NMR, and matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF). The resulting polymers contained less than 1 mol \% lactide, as shown by NMR. The number-average molecular weights were calculated from the ratio of the area peaks of ester carbonyl and carboxylic acid end groups via C-13 NMR. The stereosequences were analyzed by C-13 NMR spectroscopy on the basis of triad effects. Tetraphenyl tin was an effective transesterification catalyst, and the randomization of the stereosequence at 190 degrees C was observed. In contrast, the distannoxane catalyst caused comparatively less transesterification reaction, and the randomization of the stereosequences was slow even at 190 degrees C. The L-lactic acid and D-lactic acid isomers were added to the polymer chain in a small, blocky fashion. The MALDI-TOF spectra of poly(L-lactic acid) (PLA) chains doped with Na+ and K+ cations showed that the PLA chains had the expected end groups. The MALDI-TOF analysis also enabled the simultaneous detection of the cyclic oligomers of PLA present in these samples, and this led to the full structural characterization of the molecular species in PIA. (c) 2005 Wiley Periodicals, Inc.

}, keywords = {C-13 NMR, dehydropolycondensation, Lewis acid catalysts, MALDI, polymerization, randomization, stereosequence}, issn = {0887-624X}, doi = {10.1002/pola.20679}, author = {Shyamroy, S. and Garnaik, Baijayantimala and Sivaram, S.} } @article { ISI:000225747800012, title = {Studies on characterization of nano CaCO3 prepared by the in situ deposition technique and its application in PP-nano CaCO3 composites}, journal = {Journal of Polymer Science Part B: Polymer Physics}, volume = {43}, number = {1}, year = {2005}, month = {JAN}, pages = {107-113}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The elegant approach of in situ deposition technique was used for the synthesis of nano CaCO3 the nanosize of particles was confirmed by the X-ray diffraction (XRD) technique. Differential scanning calorimetry (DSC) was used for determination of the enthalpy. The nano CaCO3 polypropylene (PP) composites were prepared by taking 2 and 10 wt \% of different nanosizes (21-39 nm) of CaCO3. Conversion of the alpha phase to beta was observed in the case of 2 wt \% of a 30-nm sized amount of CaCO3 in a PP composite. The decrement in DeltaH and percent. crystallinity, as well as the increment in melt temperature were recorded for 6 wt \% nano CaCO3 with a decrease in nanosize from 39 to 21 nm. The increment in tensile strength with an increase in the amount of nano CaCO3 was observed, and the tower particle size shoved Greater improvement. The improvement in thermal and mechanical properties is because of the formation of a greater number of small spherulites uniformly present in the PP matrix. (C) 2004 Wiley Periodicals, Inc.

}, keywords = {Crystallization, DSC, mechanical and thermal properties, nano CaCO3, polypropylene, XRD}, issn = {0887-6266}, doi = {10.1002/polb.20296}, author = {Mishra, Satyendra and Sonawane, S. H. and Singh, R. P.} } @article { ISI:000233833100010, title = {Studies on effect of silane coupling agent on the mechanical properties of clay filled natural rubber}, journal = {Journal of the Indian Chemical Society}, volume = {82}, number = {11}, year = {2005}, month = {NOV}, pages = {985-988}, publisher = {INDIAN CHEMICAL SOC}, type = {Article}, address = {92 ACHARYA PRAFULLA CHANDRA RD ATTN:DR INDRAJIT KAR/EXEC SEC, CALCUTTA 700009, INDIA}, abstract = {

Effect of treatment of coupling agents bis(3-triethoxvsilylpropyl)tetrasulphide (Si-69)] on mechanical properties of composites made from natural rubber and clay is reported here. The treatment resulted in enhancement of mechanical properties of composites of the said rubber when compared with untreated clay composites separately. The properties under consideration were tensile strength, modulus at 100\% and 400\%, Young{\textquoteright}s modulus, elongation at break, hardness, etc. Tensile strength was improved by 118.75\%, modulus at 400\% was found to improve by 422\% while Young{\textquoteright}s modulus also was improved by 133\% when compared with untreated clay composites at 0.42 volume fraction.

}, issn = {0019-4522}, author = {Alkadasi, N. A. N. and Sarwade, B. D. and Kapadi, U. R. and Hundiwale, D. G.} } @article { ISI:000234330700013, title = {Studies on the lactic-fermentation of sugar apple (Annona squamosa L.) puree}, journal = {Journal of Food and Drug Analysis}, volume = {13}, number = {4}, year = {2005}, month = {DEC}, pages = {377-381}, publisher = {NATL LABORATORIES FOODS DRUGS}, type = {Article}, address = {161-2 KUEN YANG STREET, NANKANG, TAIPEI, TAIWAN}, abstract = {

Sugar apple (Annona squamosa L.) is a fruit tree of economic importance in Taiwan, with the fruit primarily consumed fresh. Overproduction in recent years, coupled with short shelf life and other practical issues, make practical the research into uses for sugar apples in formats other than fresh. This study presents an exploration of lactic-fermented sugar apple products. The product has a unique sweet aroma and a test panel found its texture to be appealing. For this study, sugar apple puree was used as the substrate for fermentation using mixed starters in a ratio 1:1 or 1:1:1. The high total soluble solid nature (20.5 +/- 4.33 degrees Brix) of sugar apple puree as compared to that of mixed fruit juice (lower than 10 Brix) indicates its potential to be used in fermentation. Following fermentation, the properties and effects of different starter inoculations were recorded and discussed. Fermentation achieved a pH value of 3.8 after 60 hr. The performance of fermented product in the DPPH (alpha,alpha-diphenyl-beta- picrylhydrazyl) decreased from 92\% to 78\% after 48 hr, followed by a stationary state. Fermented sugar apple puree and fresh sugar apple juice blended in a ratio of 2:8 delivered the highest DPPH scavenging efficiency (88\%) and iron chelating ability (49\%). The relatively high values of these properties offer the potential for sugar apple juice to be further developed as a novel functional food. Such a development would surely help to ease recent overproduction problems.

}, keywords = {annonaceae, DPPH scavenging, Fermentation, Lactobacillus}, issn = {1021-9498}, author = {Tien, Y. Y. and Ng, C. C. and Chang, C. C. and Tseng, W. S. and Kotwal, S. and Shyu, Y. T.} } @article { ISI:000230729300026, title = {Study of correlation of structural and surface properties with electrochemical behaviour in carbon aerogels}, journal = {Journal of Materials Science}, volume = {40}, number = {14}, year = {2005}, month = {JUL}, pages = {3777-3782}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Carbon aerogel is a promising material for electrochemical double layer capacitors. In this paper carbon aerogels prepared by subcritical drying method are investigated for the change in the structure and surface properties at different pyrolysis temperatures. The important relations between structure, morphology, surface area and electrical properties were studied using X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), surface area measurement and cyclic voltametry. It is shown that structure and the surface functional groups play important role in enhancement of electrochemical capacitance. The specific capacitance achieved was 114 F/gm which is quite large value for subcritically prepared carbon aerogels without any kind of activation process. (c) 2005 Springer Science + Business Media, Inc.

}, issn = {0022-2461}, doi = {10.1007/s10853-005-3318-4}, author = {Hebalkar, Neha and Arabale, G. and Sainkar, S. R. and Pradhan, S. D. and Mulla, Imtiaz S. and Vijayamohanan, K. and Ayyub, P. and Kulkarni, S. K.} } @article { ISI:000228607400011, title = {Sulfonate protecting groups. synthesis of O- and C-methylated inositols: D- and L-ononitol, D- and L-laminitol, mytilitol and scyllo-inositol methyl ether}, journal = {Tetrahedron}, volume = {61}, number = {18}, year = {2005}, month = {MAY}, pages = {4437-4446}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Syntheses of D- and L-ononitol, D- and L-laminitol, mytilitol and scyllo-inositol methyl ether starting from myo-imositol are described. One or two of the inyo-inositol 1,3,5-orthoformate hydroxyl groups were protected as tosylates. These mono or ditosylates served as key intermediates for the preparation of O- and C-methyl inositols. Racemic 2,4-di-O-tosyl-myo-inositol 1,3,5-orthoformate was resolved as its diastereomeric camphanates. Use of sulfonate groups for the protection of inositol hydroxyl groups resulted in substantial improvement in the overall yield of O- and C-methyl inositols. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Cyclitol, Inositol, Orthoester, Protecting group, sulfonate}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.02.073}, author = {Sarmah, M. P. and Shashidhar, M. S. and Sureshan, K. M. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000232933700014, title = {Superspin glass behavior of a nonstoichiometric lanthanum manganite LaMnO3.13}, journal = {Physical Review B}, volume = {72}, number = {13}, year = {2005}, month = {OCT}, pages = {132407}, publisher = {AMERICAN PHYSICAL SOC}, type = {Article}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

Aging and memory effects are observed in an oxygen nonstoichiometric lanthanum manganite LaMnO3.13 from time-dependent dc magnetic measurements by employing various cooling protocols. The results can be best described by the superspin glass model of interacting magnetic nanoparticles system. The possible origin of such a behavior is the confinement of interacting small magnetic clusters formed as a result of the formation of manganese vacancies, along with the random distribution of tetravalent manganese ions in the lattice.

}, issn = {1098-0121}, doi = {10.1103/PhysRevB.72.132407}, author = {Sankar, C. R. and Joy, Pattayil Alias} } @article { ISI:000228080800024, title = {Swelling behavior and diffusion studies of high-water-retaining acrylamide/potassium methacrylate hydrogels}, journal = {Journal of Applied Polymer Science}, volume = {96}, number = {4}, year = {2005}, month = {MAY}, pages = {1153-1164}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Poly(acrylamide-co-potassium methacrylate) hydrogels were prepared by free-radical simultaneous polymerization with aqueous solutions of acrylamide (AAm) and potassium methacrylate (KMA) with a redox initiator. The copolymerization was performed with eight different compositions of KMA at a fixed concentration of oil-soluble crosslinkers, including 1,4-butanediol diacrylate and ethylene glycol dimethacrylate (EGDMA). For every composition of AAm/KMA copolymer, the percentage swelling, swelling equilibrium, and diffusion characteristics were investigated. The copolymers were further studied for deswelling properties. The power law relationships of the hydrogels were evaluated for variation in terms of saline concentration. The AAm/KMA copolymers were confirmed by IR spectroscopy. Thermal studies of hydrogels were performed with differential scanning calorimetry and thermogravimetric analysis. EGDMA was found to be a better crosslinker for obtaining higher swelling and deswelling properties for the AAm/KMA hydrogels. (c) 2005 Wiley Periodicals, Inc.

}, keywords = {Diffusion, hydrogels, swelling}, issn = {0021-8995}, doi = {10.1002/app.21565}, author = {Mohan, Y. M. and Murthy, P. S. K. and Rao, K. M. and Sreeramulu, J. and Raju, K. M.} } @article { ISI:000227403100013, title = {Synthesis and assembly of gold nanoparticles in quasi-linear lysine-keggin-ion colloidal particles}, journal = {Advanced Functional Materials}, volume = {15}, number = {2}, year = {2005}, month = {FEB}, pages = {273-280}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

The formation of fiber-like colloidal particles of the amino acid lysine complexed with Keggin ions is demonstrated. The lysine-phosphotungstic acid (PTA) colloidal particles act as excellent templates for the synthesis and assembly of gold nanoparticles wherein the lysine-PTA complex acts as a UV-switchable reducing agent for gold ions. This novel bio-organic-inorganic template shows excellent potential as a regulated nanoreactor for application in programmed nanoparticle synthesis and assembly in a single step.

}, issn = {1616-301X}, doi = {10.1002/adfm.200400107}, author = {Sanyal, A. and Mandal, Sujata and Sastry, M.} } @article { ISI:000232341100013, title = {Synthesis and biodegradability of polyaspartic acid: a critical review}, journal = {Journal of Macromolecular Science-Pure and Applied Chemistry}, volume = {A42}, number = {9}, year = {2005}, month = {SEP}, pages = {1299-1315}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Poly(aspartic acid) (PAA) being biodegradable is suitable for various industrial medical and agricultural applications to replace many non-biodegradable polymers in use. Poly(aspartic acid) can be synthesized by different methods with and without catalyst in different forms such as polysuccinimide, either hydrolyzed to acid or salt. The polymer of (aspartic acid) is present in different forms such as alpha, beta and L, D isomers. The conformational analysis of poly(aspartic acid) was done by various analytical methods. Different combinations of these two isomer present in different percentage can be detected by various methods such as Hoffman degradation, IR, and NMR spectroscopic analysis. From the standard test for biodegrad ability, it was shown that the polymer is fully biodegradable. In this review, synthesis and characterization of homo and copolymer derivatives of PAA, along with the application and biodegradability in comparison with the other polymer in use, is discussed briefly.

}, keywords = {Biodegradation, poly(aspartic acid), Polycondensation, polysuccinimide, synthesis, thermal}, issn = {1060-1325}, doi = {10.1080/10601320500189604}, author = {Thombre, SM and Sarwade, BD} } @article { ISI:000226787200011, title = {Synthesis and characterization of aromatic polyamides containing an s-triazine ring with thiophenoxy linkages}, journal = {Polymer International}, volume = {54}, number = {3}, year = {2005}, month = {MAR}, pages = {569-575}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

A series of aromatic polyamides containing an s-triazine ring with thiophenoxy linkages was synthesized from two new diacids, namely 2,4-bis-(4-carboxyphenoxy)-6-thiophenoxy-s-triazine and 2,4-bis-(3-carboxyphenoxy)-6-thiophenoxy-s-triazine, and commercially available aromatic diamines by using Yamazaki{\textquoteright}s phosphorylation reaction. The polyamides were obtained in good yields and were characterized by solubility tests, viscosity measurements, FTIR, H-1 and C-13 NMR spectroscopy, X-ray diffraction studies and thermogravimetric analysis. The polyamides were found to have inherent viscosities in the range of 0.35 to 0.56 dl g(-1) in N,N-dimethylacetamide (DMAc) at 30 +/- 0.1 degreesC. All the polyamides were readily soluble in solvents such as DMAc, N-methyl-2-pyrrolidone (NMP), N,N-dimethylformamide (DMF) and m-cresol. Thermogravimetric analysis of the polyamides indicated no weight loss below 345 degreesC under a nitrogen atmosphere. (C) 2004 Society of Chemical Industry.

}, keywords = {2, 4-bis-(3/4-carboxyphenoxy)-6-thiophenoxy-s-triazine, direct polycondensation, polyamide, s-triazine ring}, issn = {0959-8103}, doi = {10.1002/pi.1733}, author = {Pal, R. R. and Patil, P. S. and Salunkhe, M. M. and Maldar, Noormahamad N. and Wadgaonkar, P. P.} } @article { ISI:000226567700007, title = {Synthesis and characterization of ferrocenylchalcogenopropargyl complexes [Fe(eta(5)-(C5H4ECH2C)-C-I CH)(2)] (E-I = Se, S) and their reactions to form unusual ferrocenyl-containing metal clusters with eclipsed Cp rings and new five-membered (FeECH)-C-I =}, journal = {Organometallics}, volume = {24}, number = {3}, year = {2005}, month = {JAN}, pages = {367-372}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{The new bis(chalcogenopropargyl)ferrocene complexes [Fe(eta(5)-C(5)H(4)E(I)CH(2)CdropCH)(2)] (E-I = Se, 1; E-I = S, 2) have been prepared by treatment of the dilithiated [Fe(eta(5)-C5H4Li)(2)] with Se or S powder, followed by reaction with propargyl bromide. Reaction of 1 and 2 with [Fe2M(mu(3)-E)(2)(CO)(9)] (E = S, Se and M = Fe, Ru) forms new clusters which feature an unusual five-membered (FeECH)-C-I=CCH2 ring with a pi bond between the olefinic unit and the Fe atom, and the Cp rings adopt an eclipsed arrangement. The structures of 1 and [Fe(eta(5)-C5H4E(I)-CH(2)CdropCH) (eta(5)-C5H4{Fe2M(CO)(8)(mu-E)((ECHCCH2)-C-I)})] (M = Fe

}, issn = {0276-7333}, doi = {10.1021/om049226r}, author = {Mathur, P. and Singh, V. K. and Mobin, Shaikh M. and Srinivasu, C. and Trivedi, R. and Bhunia, A. K. and Puranik, Vedavati G.} } @article { ISI:000225497800035, title = {Synthesis and characterization of microwave-hydrothermally derived Ba1-xSrxTiO3 powders}, journal = {Materials Letters}, volume = {59}, number = {2-3}, year = {2005}, month = {JAN}, pages = {293-296}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Submicron-sized, spherical, stoichiometric strontium substituted barium titanate: Ba0.75Sr0.25TiO3 (BST) powders are prepared by microwave-hydrothermal (MH) route under the MH conditions of 200 degreesC, 200 psi, and 30 min in strongly alkaline conditions (pH\>12) using potassium titanyl oxalate (KTO) and nitrates of Ba and Sr as the starting precursors and KOH as the mineralizer. The characterization studies by XRD, XRF and SEM indicated that stoichiometric cubic BST powders (a(0)=3.992 A) were obtained by adjusting MH conditions mentioned earlier and keeping the (Ba+Sr)/Ti ratio in starting solution slightly in excess (similar to1.06). (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {barium-strontium titanate, dissolution-recrystallization, Microstructure, microwave-hydrothermal synthesis, mineralizer, SEM, XRD, XRF}, issn = {0167-577X}, doi = {10.1016/j.matlet.2004.10.006}, author = {Deshpande, S. B. and Khollam, Y. B. and Bhoraskar, Y. B. and Date, Sadgopal K. and Sainkara, S. R. and Potdar, H. S.} } @article { ISI:000232405500048, title = {Synthesis and intramolecular nitrile oxide cycloaddition of 3,5 {\textquoteleft}-ether-linked pseudooligosaccharide derivatives: an approach to chiral macrooxacycles}, journal = {Journal of Organic Chemistry}, volume = {70}, number = {21}, year = {2005}, month = {OCT}, pages = {8579-8582}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

[GRAPHIC] 3,5{\textquoteright}-Ether-linked pseudooligopentose derivatives were synthesized for the first time from readily available carbohydrate precursors. The 1,2-isopropylidene-protected ether-linked oligopentoses are potentially important as precursors of novel RNA analogues. Intramolecular cycloaddition of the nitrile oxides prepared from these derivatives led to the diastereoselective formation of chiral isoxazolines fused to 10-16-membered oxacycles. The stereochemistry of some of these isoxazolines was established by X-ray diffraction and NOESY analysis.

}, issn = {0022-3263}, doi = {10.1021/jo050689w}, author = {Sengupta, J. and Mukhopadhyay, R. and Bhattacharjya, A. and Bhadbhade, Mohan M. and Bhosekar, Gaurav V.} } @conference { ISI:000227460600141, title = {Synthesis and magnetic properties of polycrystalline Co-doped ZnO}, booktitle = {9th International Conference on Ferrites (ICF-9)}, year = {2005}, note = {9th International Conference on Ferrites (ICF-9), San Francisco, CA, AUG 22-27, 2004}, month = {AUG}, pages = {913-918}, publisher = {Amer Ceram Soc; Japan Soc Powder \& Powder Met; Int Magnet Assoc; Amer Phys Soc}, organization = {Amer Ceram Soc; Japan Soc Powder \& Powder Met; Int Magnet Assoc; Amer Phys Soc}, address = {San Francisco, CA}, abstract = {

Nanocrystalline Zn1-xCoxO powders have been synthesized by a glycine-nitrate (GNP) and modified GNP methods. Ferromagnetism at room temperature and above is observed for the powder samples synthesized by GNP method. The saturation magnetization value at 300 K is obtained as 0.08 and 0.28 emu/g (at 1 T), respectively, for x = 0.05 and 0.1. Ferromagnetic transition occurs at 740 K and 770 K for the respective samples, which is much larger than that the reported in the literature for thin film samples. On the other hand, no ferromagnetism was observed, down to 10 K, for the compounds synthesized by the modified GNP method.

}, isbn = {1-57498-218-4}, author = {Deka, Sasanka and Date, Sadgopal K. and Joy, Pattayil Alias}, editor = {Soohoo, R. F.} } @article { ISI:000232712200011, title = {Synthesis, characterization and catalytic activity of Mn(III)- and Co(II)-salen complexes immobilized mesoporous alumina}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {241}, number = {1-2}, year = {2005}, month = {NOV}, pages = {79-87}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Mn(III) and Co(II)-schiff base complexes were immobilized over mesoporous alumina through the reaction of mesoporous alumina functionalized 3-aminopropyl triethoxy silane (3-APTES) and salicylic aldehyde via schiff base condensation. The surface properties of the functionalized catalysts were analyzed by a series of characterization techniques like elemental analysis, PXRD, FTIR, N(2) adsorption-desorption, TG-DTG, DR UV-vis, XPS, etc. PXRD and adsorption-desorption analysis shows that the mesostructure of alumina remains intact after various modifications, while spectral technique show the successful anchoring of the neat complexes inside the porous alumina support. The catalytic activity of the functionalized metal-salen complexes examined in the liquid phase oxidation of styrene and cyclohexene shows that the functionalized salen complexes are more active and selective than the corresponding neat metal complexes. Further, the catalyst (Mn-S-NH(2)-MA) was recycled three times in the oxidation of styrene and no major change in the conversion and selectivity is observed, which shows that the immobilized metal-salen complexes are stable under the present reaction conditions. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Immobilization, Mesoporous alumina, Oxidation, Schiff base complexes}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.07.005}, author = {Chaube, V. D. and Shylesh, S. and Singh, A. P.} } @article { ISI:000228779100008, title = {Synthesis, characterization and catalytic potentials of polymer anchored copper(II), oxovanadium(IV) and dioxomolybdenum(VI) complexes of 2-(alpha-hydroxymethyl)benzimidazole}, journal = {Reactive \& Functional Polymers}, volume = {63}, number = {1}, year = {2005}, month = {MAR}, pages = {71-83}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{2-(alpha-Hydroxymethyl)benzimidazole (Hhmbmz) has been covalently anchored to chloromethylated polystyrene cross-linked with 5\% divinylbenzene. This chelating resin reacts with cupric acetate, vanadyl sulphate and [MoO(2)-(acac)(2)] (Hacac = acetylacetone) in presence of Hhmbmz to give complexes PS-[Cu(hmbmz)(2)], PS-[VO(hmbmz)(2)] and PS-[MoO(2)(hmbmz)(2)] (where

}, keywords = {2-(alpha-hydroxymethyl)benzimidazole, oxidation of styrene and ethyl benzene, oxidative bromination of salicylaldehyde, polymer anchored-complexes}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2005.02.008}, author = {Maurya, Mannar R. and Sikarwar, S. and Joseph, Trissa and Manikandan, Palanichamy and Halligudi, Shivappa B.} } @article { ISI:000227514200002, title = {Synthesis, characterization and catalytic properties of hexagonal mesoporous vanadium aluminophosphate molecular sieves}, journal = {Catalysis Communications}, volume = {6}, number = {3}, year = {2005}, month = {MAR}, pages = {177-183}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Novel vanadium containing hexagonal mesoporous aluminophosphate molecular sieve (VHMA) have been synthesized. XRD and TEM analysis confirm the phase purity of the synthesized samples. FT-IR analysis suggests the incorporation of V4+ in the aluminophosphate framework. ESR, UV-Vis spectroscopic techniques and cyclic voltammetric studies confirm the incorporation of vanadium and reveal its presence of tetrahedral and square pyramidal environments in the as-synthesized samples. Cyclic voltammetry reveals the presence of two redox couples in VHMA. This catalyst is found to be a good oxidation catalyst. (C) 2005 Elsevier B.V. All rights reserved.

}, issn = {1566-7367}, doi = {10.1016/j.catcom.2004.12.005}, author = {Venkatathri, N and Srivastava, R} } @article {42599, title = {Synthesis, characterization, and hyperpolarizability measurements of main-chain azobenzene molecules}, journal = {Journal of Polymer Science Part A: Polymer Chemistry}, volume = {43}, year = {2005}, month = {AUG}, pages = {4455{\textendash}4468}, type = {Article}, abstract = {

A series of new AB type azobenzene monomers based on various substituted phenols and higher order fused/extended aromatic rings were synthesized and their hyperpolarizability tensor β determined by hyper-Rayleigh scattering (HRS) measurement in methanol. The electron donor ([BOND]OH) and acceptor units ([BOND]COOH) were kept constant in the series, but the effective conjugation length was varied by varying the number and position of substituents as well as the number of aromatic rings. The effect of substitution of the phenolic ring on the β value was investigated and it was found to range from 15 {\texttimes} 10-30 to 42 {\texttimes} 10-30 esu. The effect of intramolecular hydrogen bonding on the nonlinear optical (NLO) property was also examined. The nonlinearity was in the following order of phenol derivative: α-naphthol \> phenyl phenol \> 2,6-dimethyl phenol \> o-cresol \> cardanol \> phenol \> β-naphthol. The unusually low values for the β-naphthol-based chromophore compared with its isomer (α-naphthol) could be rationalized based on hydrogen bonding of the o-hydroxyl group with the β nitrogen of the azo bridge. These azobenzene NLO chromophoric monomers were polymerized to form main-chain polymers with a head to tail structure. The polymers had high thermal stability and rather low solubility in common organic solvents. {\textcopyright} 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 4455{\textendash}4468, 2005

}, doi = {10.1002/pola.20922}, author = {Smitha, P. and Asha, S. K. and Pillai, C. K. S.} } @article { ISI:000228301200003, title = {Synthesis, characterization, and performance evaluation of novel stabilized TDI-based polyurethane coatings under accelerated weathering}, journal = {Journal of Vinyl \& Additive Technology}, volume = {11}, number = {1}, year = {2005}, month = {MAR}, pages = {13-20}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Some toluene dilsocyanate (TDI)-based polyurethane resins (PURs) for coating applications were synthesized with castor oil and their performance was estimated under accelerated UV weathering with and without a novel UV absorber. Changes in physical properties, chemical structure, and color of the samples were monitored by mechanical property testing, FTIR spectroscopy, and colorimetry, respectively. A stable polyurethane coating was achieved at 0.5\% concentration of additive in the host matrix. Mechanical properties were also retained as in the pristine PUR after mixing. Commercial Tinuvin P and benzotriazole-based novel UV absorbers were found to improve the photoresistance of the PUR coating, and the highest efficiency of the novel UV absorber against weathering was estimated at 0.5 wt\% concentration.(c) 2005 Society of Plastics Engineers.

}, issn = {1083-5601}, doi = {10.1002/vnl.20032}, author = {Kumar, A. P. and Reddy, K. R. and Rana, S. and Lonkar, Sunil P. and Raut, K. G. and Singh, R. P.} } @article { ISI:000231359100007, title = {Synthesis, characterization, and performance evaluation of polymeric HALS in ethylene-propylene-diene terpolymer (EPDM)}, journal = {Journal of Macromolecular Science, Part A: Pure and Applied Chemistry }, volume = {A42}, number = {8}, year = {2005}, month = {AUG}, pages = {1037-1046}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A polymeric hindered amine light stabilizer (HALS), wherein the hindered amine functionality was attached to the maleic anhydride graft ethylene-propylene-diene terpolymer (EPDM) was synthesized. This involves photoinduced grafting of maleic anhydride groups on unsaturated sites of EPDM, followed by incorporation of amino terminated HALS. The grafting and functionalization reactions were characterized by FTIR and C-13 NMR spectroscopy. The surface changes upon degradation are studied by SEM. The photostabilizing efficiency of this polymeric HALS was studied and compared with conventional HALS under accelerated weathering conditions. The HALS grafted EPDM showed significantly improved photostabilizing efficiency.

}, keywords = {EPDM, light induced grafting, Photostabilization, polymeric HALS}, issn = {1060-1325}, doi = {10.1081/MA-200065905}, author = {Lonkar, Sunil P. and Rana, S. and Singh, R. P. and Lacoste, Jacques and Gardette, Jean Luc and Jestin, F. and Brocord, E.} } @article { ISI:000233846100021, title = {Synthesis, characterization, electronic structure, and photocatalytic activity of nitrogen-doped TiO2 nanocatalyst}, journal = {Chemistry of Materials}, volume = {17}, number = {25}, year = {2005}, month = {DEC}, pages = {6349-6353}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nitrogen-doped TiO2 (N-TiO2)) nanocatalyst with spherical shape and homogeneous size has been synthesized through a chemical method using TiCl3 as precursor. The light absorption onset shifts from 380 nm on pure TiO2 to the visible region at 550 nm with N-TiO2. A clear decrease in the band gap and the nitrogen 2p states on the top of the valence band on N-TiO2 (compared to TiO2) is deduced from the optical absorption spectroscopy results. The chemical nature of N has been evolved as N-Ti-O in the anatase TiO2 lattice as identified by X-ray photoelectron spectroscopy (XPS). Photocatalytic decomposition of methylene blue has been carried out both in the UV and in the visible region and N-TiO2 shows higher activity than the Degussa P25 TiO2 photocatalyst in the visible region.

}, issn = {0897-4756}, doi = {10.1021/cm052047v}, author = {Sathish, M and Viswanathan, B and Viswanath, RP and Gopinath, Chinnakonda S.} } @article { ISI:000233914500027, title = {Synthesis of CdS and alloyed CdMnS nanocrystals using aqueous foams}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {5}, number = {12}, year = {2005}, month = {DEC}, pages = {2144-2154}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Certain surfactant-stabilized aqueous foams provide a potentially efficient and simple chemical route for the synthesis of various nanomaterials with controllable structure, size, and shape. In the present work, a one-step process for the synthesis of CdS and Cdl(1-x)Mn(x)S (0 \< x \< 10) nanocrystals has been described. Aqueous CdCl2 and the aerosol-OT solutions are homogeneously mixed together and thereafter, nitrogen is bubbled through this solution to produce stable aqueous foam. After drainage of the foam, the freestanding dry foam consisting of cadmium cations electrostatically complexed with the anionic aerosol-OT molecules at the liquid-gas interface is treated with H2S vapor. The foam turns yellowish-orange and collapses, in the process yielding CdS nanoclusters of variable morphology. This morphology variation is appropriately attributed to growth of the CdS as well as alloyed Cd1-xMnxS nanoparticles in different regions of the foam contributing to the varying topological structure. Optical absorption spectra of both CdS and Cd1-xMnxS nanoparticles clearly show a well-defined exciton absorption feature around 450 nm due to quantum confinement effects. The interesting band edge emission characteristics of these AOT-capped CdS and Cd1-xMnxS nanoparticles produced in the foam are discussed with respect to their size and shape. Particular interest in the present novel aqueous foam approach arises due to the fact that the cubic zincblende CdS and alloyed Cd1-xMnxS nanocrystals could easily be obtained even under ambient experimental conditions itself.

}, keywords = {absorption and fluorescence, aerosol-OT, alloyed CdMnS nanocrystals, aqueous foams, CdS nanoclusters, quantum confinement, zincblende}, issn = {1533-4880}, doi = {10.1166/jnn.2005.401}, author = {Kumar, P. Senthil and Kasture, Manasi and Raghavan, U and Pasricha, R and Sastry, M} } @article { ISI:000232347900014, title = {Synthesis of chromium substituted nano particles of cobalt zinc ferrites by coprecipitation}, journal = {Materials Letters}, volume = {59}, number = {27}, year = {2005}, month = {NOV}, pages = {3402-3405}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nano particles of chromium substituted cobalt zinc ferrite have been synthesized by a chemical co-precipitation method. X-ray diffraction studies of the nano particles of CrxCo0.5-xZn0.5Fe2O4 (x = 0.1 to 0.5) heat-treated at 300 degrees C show that the particle sizes are in the range of 2 to 7 nm. Room temperature Fe-57 Mossbauer spectra of all the samples show only two doublets, confirming the presence of superparamagnetic relaxation in the nano particles. An exponential decrease in the superparamagnetic blocking temperature, with increasing chromium concentration, is observed for these samples. (C) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Co0.5Zn0.5Fe2O4, Mossbauer spectroscopy, nano materials}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.06.004}, author = {Sharma, R. K. and Suwalka, O. and Lakshmi, N. and Venugopalan, K. and Banerjee, Abhik and Joy, Pattayil Alias} } @article { ISI:000227267300021, title = {Synthesis of cis bis-beta-lactams via Staudinger cycloaddition reaction using C-2-symmetric 1,2-diamines}, journal = {Tetrahedron}, volume = {61}, number = {9}, year = {2005}, month = {FEB}, pages = {2441-2451}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient stereoselective synthesis of bis-beta-lactams via cycloaddition reaction (Staudinger reaction) of ketenes with bisimines derived from C-2-symmetric 1, 2-diamines is described. The reaction provided diastereomeric mixture of meso and C-2-symmetric cis-bis-beta-lactams with higher selectivity for meso-bis-beta-lactams. (C) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {imines, ketenes, Staudinger cyclo-addition reaction, stereoselective synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.01.031}, author = {Shaikh, A. L. and Puranik, Vedavati G. and Deshmukh, A. R. A. S.} } @article { ISI:000230375200016, title = {Synthesis of fine PbE (E = S, Se) powder from direct in situ reduction of sulphur or selenium}, journal = {Materials Chemistry and Physics}, volume = {93}, number = {1}, year = {2005}, month = {SEP}, pages = {91-94}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Lead sulphide and lead selenide have been prepared for the first time, by in situ reduction of elemental S or Se by using aqueous DMF or aqueous SFS as reducing agents and their reaction with lead acetate. The grayish-black powder has been characterized by powder XRD measurement, XPS and SEM/EDAX analysis. Powder X-ray diffraction pattern revealed that cubic PbE (E = S, Se) is formed with a little impurities of lead in case of PbSe. Slightly broader peaks in XRD measurement suggest small particles diameter in the powder. The particle size by using Scheffer{\textquoteright}s formula is found to be about 100 nm. Peaks due to free lead particles are observed in XPS and EDS (in case of PbSe) analysis and SEM analysis indicates agglomerated particles. (c) 2005 Elsevier B.V All rights reserved.

}, keywords = {Chemical synthesis, electronic materials, reduction, Semiconductor}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.02.025}, author = {Khanna, P. K. and Subbarao, VVVS and Wagh, M. and Jadhav, P. and Patil, K. R.} } @article { ISI:000232129900020, title = {Synthesis of gold nanospheres and nanotriangles by the Turkevich approach}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {5}, number = {10}, year = {2005}, month = {OCT}, pages = {1721-1727}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Gold nanoparticles of triangular morphology possess interesting optical properties with potential application in medicine and infrared absorbing coatings, however, little is known about conditions that favor their growth. In this paper, we have reinvestigated a time-tested recipe for the formation of gold nanospheres by citrate reduction of aqueous gold ions under boiling conditions (Turkevich recipe). Our principle findings are that gold nanotriangle formation is kinetically controlled and is highly favored at low temperatures. Furthermore, the presence of chloride ions from the precursor chloroaurate ions plays a major role in promoting the growth of [111] oriented triangular/truncated triangular particles. The presence of bromide and iodide ions that possess the ability to replace surface-bound chloride ions inhibits triangle formation to varying degrees.

}, keywords = {Crystal growth, Gold, halides, nanospheres, nanotriangles, Temperature effect}, issn = {1533-4880}, doi = {10.1166/jnn.2005.192}, author = {Shankar, S. S. and Bhargava, S. and Sastry, Murali} } @article { ISI:000233775500004, title = {Synthesis of gold, silver and their alloy nanoparticles using bovine serum albumin as foaming and stabilizing agent}, journal = {Journal of Materials Chemistry }, volume = {15}, number = {48}, year = {2005}, month = {OCT}, pages = {5115-5121}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple and convenient method for the synthesis of gold, silver and their alloy nanoparticles in a foam matrix using the protein bovine serum albumin (BSA) is reported. BSA is an excellent foaming agent and, by virtue of its zwitterionic character at the protein isoelectric point, may be used to bind to either cationic silver (Ag+) or anionic gold (AuCl4-) ions in the foam. The metal ions in the foam are thereafter reduced in situ to yield silver and gold nanoparticles. The versatility of an amphoteric foaming agent is further demonstrated by the simultaneous binding of Ag+ and AuCl4- ions with zwitterionic BSA leading to the possibility of obtaining Au-Ag alloy nanoparticles in the foam. The BSA molecules coat and stabilize the nanoparticles thus prepared eliminating the necessity of employing an additional stabilizing agent in the experimental recipe.

}, issn = {0959-9428}, doi = {10.1039/b510398c}, author = {Singh, A. V. and Bandgar, B. M. and Kasture, Manasi and Bhagavatula L. V. Prasad and Sastry, M.} } @article { ISI:000229243800064, title = {Synthesis of hydroxyapatite crystals using amino acid-capped gold nanoparticles as a scaffold}, journal = {Langmuir}, volume = {21}, number = {11}, year = {2005}, month = {MAY}, pages = {5185-5191}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Inorganic composites are of special interest for biomedical applications such as in dental and bone implants wherein the ability to modulate the morphology and size of the inorganic crystals is important. One interesting possibility to control the size of inorganic crystals is to grow them on nanoparticles. We report here the use of surface-modified gold nanoparticles as templates for the growth of hydroxyapatite crystals. Crystal growth is promoted by a monolayer of aspartic acid bound to the surface of the gold nanoparticles; the carboxylate ions in aspartic acid are excellent hinging sites for Ca2+ ions. Isothermal titration calorimetry studies of Ca2+ ion binding with aspartic acid-capped gold nanoparticles indicates that the process is entropically driven and that screening of the negative charge by the metal ions leads to their aggregation. The aggregates of gold nanopartictes are believed to be responsible for assembly of the platelike hydroxyapatite crystals into quasi-spherical superstructures. Control experiments using uncapped gold nanoparticles and pure aspartic acid indicate that the amino acid bound to the nanogold surface plays a key role in inducing and directing hydroxyapatite crystal growth.

}, issn = {0743-7463}, doi = {10.1021/la048541f}, author = {Rautaray, D. and Mandal, Sujata and Sastry, M.} } @article { ISI:000228771600009, title = {Synthesis of nanocrystalline rutile}, journal = {Ceramics International}, volume = {31}, number = {4}, year = {2005}, month = {JAN}, pages = {555-557}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Nanocrystalline titanium dioxide (TiO2) in the rutile phase has been obtained by homogeneous precipitation using urea and TiOCl2. A mixture of urea and TiOCl2 is heated on a hot water bath at 65-75 degrees C to precipitate rutile powders. X-ray diffraction (XRD) studies on these oven-dried powders indicated the formation of single-phase rutile. Raman scattering experiments were also performed to confirm the formation of the rutile phase. Transmission electron microscopy (TEM) investigations revealed the average particle size of these powders to be 40 nm. (c) 2004 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {chemical preparation, Electron microscopy, powders, TiO2, X-ray methods}, issn = {0272-8842}, author = {Samuel, V and Pasricha, R and Ravi, V} } @article { ISI:000231000700013, title = {Synthesis of poly(1-hexene)s end-functionalized with phenols}, journal = {Polymer International}, volume = {54}, number = {9}, year = {2005}, month = {SEP}, pages = {1310-1313}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

Electrophilic alkylations of phenol/2,6-dimethylphenol were performed with vinylidene-terminated poly(1-hexene)s using BF3-OEt2 catalyst. Vinylidene-terminated poly(1-hexene)s with M. varying from 400 to 10000 were prepared by bulk polymerization of 1-hexene at 50 to -20 degrees C using Cp2ZrCl2/MAO catalysts. The phenol/2,6-dimethylphenol-terminated poly(1-hexene)s was characterized by NMR (H-1, C-13), UV, IR and vapor phase osmometer (VPO). The isomer distribution (ortho, para and ortholpara) was determined by P-13 NMR using a phosphitylating reagent, namely 2-chloro-1,3,2-dioxaphospholane. The number-average degree of functionality (F-n) \> 0.9 with \> 95\% para selectivity could be achieved using low-molecular-weight oligomers of poly(1-hexene)s. (c) 2005 Society of Chemical Industry.

}, keywords = {Alkylation, chain-end functionalization, functional poly(olefin)s, metallocene catalysts}, issn = {0959-8103}, doi = {10.1002/pi.1848}, author = {Yanjarappa, Mallinamadugu J. and Sivaram, Swaminathan} } @article { ISI:000230338900015, title = {Synthesis of rutile from ATO and stearic acid}, journal = {Materials Letters}, volume = {59}, number = {21}, year = {2005}, month = {SEP}, pages = {2673-2675}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nanocrystalline titanium dioxide in the rutile phase has been obtained from the solid state reaction between ammonium titanyl oxalate (ATO) and stearic acid at 400 degrees C in air. The fine powders of ATO and stearic acid are mixed well using acetone in an agate mortar and pestle for 2 h. This mixture (weight ratio of ATO to stearic acid \> 5) on heating at 400 degrees C produces rutile powders. For the ratios of ATO to stearic acid \< 5, a mixture of anatase and rutile phases is obtained. Pure ATO yields anatase phase on decomposition at 400 degrees C. These powders were characterized by X-ray diffraction (XRD), BET surface area measurements and transmission electron microscopy (TEM) studies. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray techniques}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.04.016}, author = {Patil, M. M. and Deshpande, V. V. and Deshpande, S. B. and Samuel, V. and Ravi, V.} } @article { ISI:000227107500022, title = {Synthesis, structure, electrochemistry and ROMP-activity of new ferrocenyl analog of Grubbs{\textquoteright} metathesis catalyst}, journal = {Journal of Organometallic Chemistry}, volume = {690}, number = {4}, year = {2005}, month = {FEB}, pages = {1018-1027}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Treatment of [(PCy3)(2)Cl2Ru=CH-Ph] (1) with vinylferrocene 1 and 1-ferrocenyl-1,3-butadiene 2 yielded solid products. These new complexes were characterized by H-1 NMR, P-31 NMR and C-13 NMR spectroscopy. X-ray crystal structures of both the complexes have been solved. The crystal structure of II confirmed the assigned structure and revealed existence of two sets of intermolecular C-H-Cl(M) type interactions, viz. (Ru)Cl-H-C(ferrocene) and (Ru)Cl-H-CHCl2. The air-stable, dark solid II is all efficient catalyst for ring-opening metathesis polymerization (ROMP) of cyclopentene, norbornene and cycloocta-1,5-diene. Electrochemical behavior of the complexes clearly reflects electronic communication between two metal centers. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {Electrochemistry, ferrocene, Metathesis, non-covalent interactions, ring-opening metathesis polymerization, ruthenium carbene}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2004.11.012}, author = {Maishal, T. K. and Mondal, Biplab and Puranik, Vedavati G. and Wadgaonkar, P. P. and Lahiri, Goutam Kumar and Sarkar, A.} } @article { ISI:000230297800006, title = {tert-Butylation of p-cresol over WOx/ZrO2 solid acid catalysts}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {235}, number = {1-2}, year = {2005}, month = {JUL}, pages = {44-51}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The tert-butylation of p-cresol with tert-butanol was carried out over WO3/ZrO2 catalysts under flow conditions, The catalysts were prepared by wet impregnation method using zirconium oxyhydroxide and ammonium metatungstate. Catalysts with different WO3 loading (5-30 wt.\%) were prepared and calcined at 800 degrees C and catalyst with 15\% WO,, was calcined from 600 to 900 C. The catalysts were characterized by surface area, XRD, FTIR and TEM. The catalyst 15\% WO3/ZrO2 calcined at 800 degrees C found to be the most active in the reaction. The effect of temperature, space velocity and molar ratio of the reactants on the conversion of p-cresol and products selectivities were studied. Under the optimized reaction conditions of 130 degrees C, tert-butanol/p-cresol molar ratio of 3 and flow rate of 10 ml h(-1). p-cresol conversion was 69.8\% with selectivity to 2-tert-butyl-p-cresol 92.4\%, 2,6-di-tert-butyl-p-cresol 6.3\% and p-cresol tert-butyl ether 1.3\%. The catalytic activity is compared with sulfated zirconia, USY, H beta zeolites and montmorillonite K-10 under the optimized reaction conditions The activity of sulfated zirconia is lower than that of 15\% WO3/ZrO2 catalyst calcined at 800 C and other catalysts showed very low activity, (c) 2005 Elsevier B.V.. All rights reserved.

}, keywords = {p-Cresol, tert-butylation, tungsten oxide, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.03.019}, author = {Sarish, S. and Devassy, Biju M. and Halligudi, Shivaraj B.} } @article { ISI:000226847200018, title = {Tetrazine derived mononuclear Ru-II(acac)(2)(L)(1), [Ru-II(bpy)(2)(L)](ClO4)(2)(2) and [Ru-II(bpy)(L)(2)](ClO4)(2)(3) (L=3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine, acac = acetylacetonate, bpy=2,2 {\textquoteright}-bipyridine): syntheses, structures, spectra}, journal = {Polyhedron}, volume = {24}, number = {2}, year = {2005}, month = {JAN}, pages = {333-342}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Mononuclear ruthenium complexes of tetrazine derived L, Ru-II(acac)(2)(L) (1), [Ru-II(bpy)(2)(L)](ClO4)(2) (2) and [Ru-II(bpy)(L)(2)](ClO4)2 (3) (L = 3-amino-6-(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine, acac = acetylacetonate and bpy = 2,2{\textquoteright}-bipyridine) were prepared. The free L exists as a dimeric entity in the solid state via hydrogen bonding interactions involving L and water molecules present in the crystal lattice. 1 exhibits unusually strong bonds from Ru-II to coordinating pyrazolyl-N (2.040(2) Angstrom) and especially to tetrazine-N (1.913(2) Angstrom). The Ru-III/Ru-II couples of 1-3 appeared at 0.28, 1.34 and 1.50 V versus SCE, respectively. The tetrazine and bpy-based reductions were observed at -1.33 (1); -0.55 and -1.55/-1.75/-1.98 (2); -0.47/-0.78 and -1.80/-2.02 V (3), respectively. 1, 2 and 3 displayed two MLCT bands each, corresponding to dpi(Ru-II) --\> pi* (L, tetrazine) and dpi(Ru-II) --\> pi* (acac or bpy or L) transitions. 1(+) and 2(+) showed rhombic EPR spectra at 110 and 4 K, respectively and 1(-), 2(-) and 3(-) exhibited multiple line EPR spectra at 300 K. 1-3 exhibited moderately strong emission spectra in EtOH-MeOH glass at 77 K. (C) 2004 Elsevier Ltd. All rights reserved.

}, keywords = {Electrochemistry, redox, ruthenium-tetrazine, spectra, structure, synthesis}, issn = {0277-5387}, doi = {10.1016/j.poly.2004.11.019}, author = {Nayak, A. and Patra, S. and Sarkar, B. and Ghumaan, Sandeep and Puranik, Vedavati G. and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @article { ISI:000227960800029, title = {Thermal, magnetic and spectral studies of metal-quinone complexes Part III. radical coordination and hydrogen bonding mediated exchange interaction in copper-hydroxyquinone complex}, journal = {Journal of Thermal Analysis and Calorimetry}, volume = {79}, number = {3}, year = {2005}, month = {FEB}, pages = {669-675}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The reaction of CuCl with 2HNQ, ( viz. 2- hydroxy- 1,4- naphthoquinone), in methanol results in [Cu-2( II, II)(4HNSQ)(2)(ONQ)(2)(H2O)(4)], Cu- 3 complex; [ where ONQ is the deprotonated oxidized form of ligand ( viz. 2- oxido- 1,4- naphthoquinone) and 4HNSQ one electron reduced tautomeric form of the ligand (i.e. 4- hydroxy - 1,2- naphthosemiquinone)]. The mixed valent redox ligation is confirmed in [ 9] by us. In present report complex Cu- 3 investigated by variable temperature magnetic susceptibility measurements ( SQUID), X and Q- band EPR, DSC and CV techniques. A break is observed in the chi(m)(-1) vs. T plot similar to 200 K in Cu- 3 which is attributed to a phase transition. In Cu- 3 a quintet state ( S= 2) is populated above 200 K by the molecular association of two exo Cu( II)( 4HNSQ) units via hydrogen bonding between Cu(ONQ) unit of endo ligands in dimer. Magnetic susceptibility data is treated with tetramer model with S= 1/2,1/2,1/2,1/2. The interdimer triplet- triplet interaction ( J) in two [ Cu( 4HNSQ)] units and intradimer ( zJ(1)) interaction between [ Cu( II)( 4HNSQ)] are best fitted with J= -50 cm(-1) and zJ(1)= 28 cm(-1), respectively, using g= 2.2. {\textquoteleft}Quintet- triplet{\textquoteright} phase transition occurs with an enthalpy change of 31.83 kJ mol(-1) estimated from DSC. Cu( II)double left right arrow Cu( I) and NSQ double left right arrow CAT redox couples at E-1/2= 0.68 V and E-1/2 = -1.12 V, respectively are result of exo ligands and Cu( II) ions interaction, while shifts of ligand based peaks viz. NQ -\> NSQ and NSQ double left right arrow CAT at - 0.44 and - 0.67 V towards positive potential on complexation are due to electron transfer interactions between endo ligand and Cu( II) ion.

}, keywords = {antiferromagnetic coupling, copper complexes, Lawsone, model complexes, quinones, triplet state}, issn = {1388-6150}, author = {Salunke-Gawali, S. and Rane, S. Y. and Boukheddaden, K. and Codjovi, E. and Linares, J. and Varret, F. and Bakare, P. P.} } @article { ISI:000230506000008, title = {Thidiazuron-induced morphogenesis in tamarind seedlings}, journal = {In Vitro Cellular \& Developmental Biology-Plant}, volume = {41}, number = {3}, year = {2005}, month = {MAY}, pages = {240-243}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Germination of tamarind seeds in medium containing thidiazuron (TDZ) resulted in induction of nodular protrusions in and around the cotyledonary node meristem. The structures developed radially in well-defined circles and subsequently spread towards the cotyledonary bridge and also in the proximal part of the hypocotyl. The structures developed into shoots on transfer to medium devoid of growth regulators. Histological studies revealed that the protrusions initiated from the nodal meristem and extended to the non-meristematic region between the two meristems and also in the proximal part of the hypocotyl in seedlings germinated in 9.08 mu M TDZ. Newly formed cell layers and less-differentiated meristematic protrusions were also seen. With the increase in the distance from the meristem, the buds were less differentiated; in the proximal part of the hypocotyl only the multiple layers of meristematic cells were noted. With extension of the period of incubation, the TDZ-induced meristematic activity extended laterally in circles towards the neighboring region. The radial spread of the meristematic activity from the center of the nodal meristem was also evident at 18.16 mu M TDZ. From the pattern of the morphogenic development and the histological studies it may be hypothesized that in tamarind, TDZ influences the existing meristems specifically. Subsequently de novo organogenesis is triggered in the neighboring cells.

}, keywords = {Caulogenesis, Histology, morphogenesis, protrusions, thidiazuron}, issn = {1054-5476}, doi = {10.1079/IVP2004611}, author = {Mehta, Urmil J. and Sahasrabudhe, N. and Hazra, Sulekha} } @article { ISI:000230396800004, title = {Ti-oxo radicals and product selectivity in olefin oxidations over titanosilicate molecular sieves}, journal = {Zeitschrift f{\"u}r Physikalische Chemie International Journal of Research in Physical Chemistry and Chemical Physics}, volume = {219}, number = {7}, year = {2005}, month = {JUL}, pages = {905-920}, publisher = {OLDENBOURG VERLAG}, type = {Article}, address = {LEKTORAT MINT, POSTFACH 80 13 60, D-81613 MUNICH, GERMANY}, abstract = {

The O-O bond of Ti-oxo species (Ti-peroxo, Ti-hydroperoxo or Ti-superoxo) generated on titanosilicate molecular sieves contacted with H2O2 cleaves either heterolytically or homolytically. While the former type of O-O cleavage (generating non-radical reactive oxygen intermediates) leads to selective epoxide products, the latter (generating reactive oxygen radical intermediates, O-2(-center dot) and HOOcenter dot) results in non-sclective, allylic oxidation products in cyclohexene oxidation. These radicals were detected using EPR spin trapping techniques 5,5-dimethyl-1-pyrroline-N-oxide (DMPO) was used as the spin trap. Radical quenchers like hydroquinone suppressed their concentration and enhanced epoxide selectivity.

}, keywords = {cyclic voltammetry of titanosilicates, EPR-spin trap experiments, Molecular sieves, oxidations, product selectivity, reactive oxygen species, titaniunz-oxo radicals, Titanosilicates}, issn = {0942-9352}, doi = {10.1524/zpch.219.7.905.67088}, author = {Shetti, VN and Srinivas, D and Ratnasamy, P} } @article { ISI:000230753500025, title = {Titanium superoxide catalyzed selective oxidation of phenols to p-quinones with aq. H2O2}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {44}, number = {7}, year = {2005}, month = {JUL}, pages = {1530-1532}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, type = {Article}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Titanium superoxide, a novel heterogeneous and readily accessible catalyst, is found to catalyze the selective oxidation of phenols to the corresponding 1,4-benzoquinones in preparative yields with aq. 30\% H2O2 as oxidant under mild reaction conditions.

}, issn = {0376-4699}, author = {Dewkar, Gajanan and Shaikh, T. M. and Pardhy, S. and Kulkarni, S. S. and Sudalai, A.} } @article { ISI:000232857900012, title = {Transmetalation reaction between hydrophobic silver nanoparticles and aqueous chloroaurate ions at the air - Water interface}, journal = {Journal of Physical Chemistry B}, volume = {109}, number = {42}, year = {2005}, month = {OCT}, pages = {19620-19626}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The transmetalation reaction between a sacrificial nanoparticle and more noble metal ions in solution has emerged as a novel method for creating unique hollow and bimetallic nanostructures. In this report, we investigate the possibility of carrying out the transmetalation reaction between hydrophobic silver nanoparticles assembled and constrained at the air-water interface and subphase gold ions. We observe that facile reduction of the subphase gold ions by the sacrificial silver nanoparticles occurs resulting in the formation of elongated gold nanostructures that appear to cross-link the sacrificial silver particles. This transmetalation reaction may be modulated by the insertion of an electrostatic barrier in the form of an ionizable lipid monolayer between the silver nanoparticles and the aqueous gold ions that impacts the gold nanoparticle assembly. Transmetalation reactions between nanoparticles constrained into a close-packed structure and appropriate metal ions could lead to a new strategy for metallic cross-linking of nanoparticles and generation of coatings with promising optoelectonic behavior.

}, issn = {1520-6106}, doi = {10.1021/jp0530552}, author = {Pasricha, R and Swami, A and Sastry, M} } @article { ISI:000231782100007, title = {Unusual stereochemical outcome of radical cyclization: synthesis of (+)-biotin}, journal = {Tetrahedron}, volume = {61}, number = {39}, year = {2005}, month = {SEP}, pages = {9273-9280}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An enantioselective synthesis of (+)-biotin 1 starting from naturally available cysteine is described. The key steps are the unusual stereochemical outcome of radical cyclization of compound 10 to prepare 5,5-fused system 11, and the introduction of C4-sidechain at C-6 in 13 via a Grignard reaction. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {biotin, exocyclization, radical cyclization}, issn = {0040-4020}, doi = {10.1016/j.tet.2005.07.070}, author = {Chavan, Subhash P. and Chittiboyina, A. G. and Ramakrishna, G. and Tejwani, R. B. and Ravindranathan, T. and Kamat, Subhash K. and Rai, B. and Sivadasan, L. and Balakrishnan, K. and Ramalingam, S. and Deshpande, V. H.} } @article { ISI:000225786100016, title = {Using the dynamic, expanding liquid-liquid interface in a Hele-Shaw cell in crystal growth and nanoparticle assembly}, journal = {Faraday Discussions}, volume = {129}, year = {2005}, month = {JAN}, pages = {205-217}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The liquid-liquid interface has been used with considerable success in the synthesis of advanced materials ranging from (bio)minerals to inorganic membranes to nanoparticles. In almost all such cases, the interface is static. The Hele-Shaw cell in which a viscous fluid is displaced by a less viscous one in a constrained manner has been invaluable in the study of dynamic instabilities at interfaces and in the study of viscous fingering pattern formation. However, the potential of the Hele-Shaw cell in carrying out reactions at the interface between the two fluids leading to the formation of inorganic materials has been largely unrecognized and underexploited. Realizing that the dynamic liquid-liquid interface in a Hele-Shaw cell would provide opportunities to control a variety of time-scales associated with material formation, we have started a program on the use of the Hele-Shaw cell in materials synthesis. In this discussion paper, we present some of our recent results on the growth of calcium carbonate crystals in the Hele-Shaw cell by the reaction of Ca2+ ions electrostatically complexed with carboxylate ions pinned to the interface with carbonate ions present in the aqueous part of the biphasic reaction medium. We show that both polymorph selectivity and the morphology of the crystals may be modulated by varying the experimental conditions in the cell. We also discuss the possibility of using the dynamic interface in the Hele-Shaw cell to cross-link gold nanoparticles in water through bifunctional linkers present in the oil phase and investigate the nature of the structures formed.

}, issn = {1364-5498}, doi = {10.1039/b405599n}, author = {Rautaray, D and Kavathekar, R and Sastry, M} } @article { ISI:000231197500017, title = {Vanadium-containing ordered mesoporous silicas: synthesis, characterization and catalytic activity in the hydroxylation of biphenyl}, journal = {Applied Catalysis A - General}, volume = {290}, number = {1-2}, year = {2005}, month = {AUG}, pages = {148-158}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of vanadium-containing ordered mesoporous MCM-41 materials (V-OMS) have been synthesized by direct hydrothermal (VMCM-41) and grafting (V/MCM-41) methods using hexadecyl trimethyl ammonium bromide (HDTMABr) as the structure-directing agent. The physico-chemical properties of the vanadium-containing materials were characterized in detail by ICP-OES, XRD, Fr-IR, N-2 adsorption-desorption, DRUV-VIS, TPR, XPS and SEM techniques. The redox performances of the vanadium-modified mesoporous materials were tested in the hydroxylation of biphenyl using aqueous H2O2 (30 wt.\%) as oxidant. For a better exploitation of the catalytic activity, the reaction parameters are optimized in terms of temperature, solvent, oxidant, etc. A comparison between the catalytic activity values of the vanadium-containing mesoporous materials prepared by the two routes shows that vanadium-substituted (V-MCM-41) materials had increased activity and improved selectivity for mono hydroxyl products in the hydroxylation reaction of biphenyl compared to the V/MCM-41 catalysts. The heterogenity of the catalysts was verified by a series of leaching studies. Both the catalysts enhance the leaching of active vanadia species during the reaction; among them, V/MCM-41 shows the least heterogenity. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {biphenyl, heterogenity, MCM-41, Mesoporous molecular sieves, Vanadium}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.05.012}, author = {George, J. and Shylesh, S and Singh, AP} } @article { ISI:000230768400012, title = {Vanadium-containing ordered mesoporous silicates: does the silica source really affect the catalytic activity, structural stability, and nature of vanadium sites in V-MCM-41?}, journal = {Journal of Catalysis}, volume = {233}, number = {2}, year = {2005}, month = {JUL}, pages = {359-371}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

A series of vanadium-substituted mesoporous materials were synthesized hydrothermally with the use of two commonly used silica Sources. fumed silica and tetra ethyl orthosilicate. The extent of mesopore structural ordering was confirmed from X-ray diffraction, N-2 physisorption, SEM, and TEM, and the presence and nature of vanadium species inside the framework of the MCM-41 matrix was confirmed in detail with the use of various characterization techniques like FT-IR, Si-29 MAS NMR, DRUV-vis, EPR, V-51 MAS NMR, and Raman analysis. It is deduced from the above characterization techniques that, regardless of the silica source, vanadium is incorporated into the silica framework and thereby increases the structural ordering and wall thickness of the mesoporous material. Thermal and hydrothermal Studies performed over the V-MCM-41 catalysts show that the Si-O-Si inorganic backbone from a fumed silica source is more resistant to severe thermal treatments and hydrolysis than the tetraethyl orthosilicate-synthesized catalysts. Spectroscopic characterization reveals the existence of easily accessible isolated tetrahedral vanadium sites on V-MCM-41 catalyst prepared front fumed silica catalyst, whereas the sample obtained from a tetraethyl orthosilicate silica Source shows vanadium in more disordered sites. Catalytic results show that both catalysts display excellent activity toward the epoxidation reaction of bulkier olefins, and the exceptional activity of the fumed silica catalyst may arise from the more isolated tetrahedral sites and the complementary textural characteristics, which may facilitate the easy access of substrate to the isolated framework metal sites. (c) 2005 Elsevier Inc. All rights reserved.

}, keywords = {epoxidation, fumed silica, MCM-41, tetraethyl orthosilicate, Vanadium}, issn = {0021-9517}, doi = {10.1016/j.jcat.2005.05.001}, author = {Shylesh, S and Singh, AP} } @article { ISI:000232354200011, title = {X-ray crystallographic studies on C-phycocyanins from cyanobacteria from different habitats: marine and freshwater}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {61}, number = {9}, year = {2005}, month = {SEP}, pages = {844-847}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {1744-3091}, doi = {10.1107/S1744309105025649}, author = {Satyanarayana, L. and Suresh, C. G. and Patel, A. and Mishra, Satyendra and Ghosh, P. K.} } @article { ISI:000231058000003, title = {Zeolite-based organic-inorganic hybrid catalysts for phosgene-free and solvent-free synthesis of cyclic carbonates and carbamates at mild conditions utilizing CO2}, journal = {Applied Catalysis A - General}, volume = {289}, number = {2}, year = {2005}, month = {AUG}, pages = {128-134}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

As-synthesized zeolite-beta exhibits high catalytic activity for the synthesis of cyclic carbonates and alkyl and aryl carbarnates by a phosgene-free route, utilizing the greenhouse effect gas CO2. The reaction occurs with high yields of the desired products at mild conditions and without using any solvent or cocatalyst. Cyclic carbonates are synthesized by cycloaddition reaction Of CO2 with oxiranes (epichlorohydrin, propene oxide, styrene oxide and n-butene oxide) at 393 K and 6.9 bar. Alkyl and aryl carbarnates are synthesized by the reaction of the corresponding amines, CO2 and n-butyl bromide at 353 K and 3.4 bar. The as-synthesized zeolite-beta containing the encapsulated quaternary ammonium ions is not only reusable in several recycling experiments, but also shows superior activity to that of the corresponding homogeneous, quaternary ammonium halide salt generally used in the commercial synthetic practice. The microporous silica (inorganic) acting in concert with the encapsulated organic component constitutes an efficient, recyclable catalyst for this reaction. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {alkyl and aryl carbamates, carbon dioxide utilization, cyclic carbonate, phosgene-free synthetic route, Polycarbonate, zeolite-beta}, issn = {0926-860X}, doi = {10.1016/j.apcata.2005.04.055}, author = {Srivastava, R and Srinivas, D and Ratnasamy, P} } @article { ISI:000227845200016, title = {Zirconia-supported phosphotungstic acid as catalyst for alkylation of phenol with benzyl alcohol}, journal = {Journal of Molecular Catalysis A - Chemical}, volume = {230}, number = {1-2}, year = {2005}, month = {APR}, pages = {113-119}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The liquid-phase alkylation of phenol with benzyl alcohol was carried out using zirconia-supported phosphotungstic acid (PTA) as catalyst. The catalysts with different PTA loadings (5-20 wt.\% calcined at 750 degrees C) and calcination temperature (15 wt.\% calcined from 650 to 850 degrees C) were prepared and characterized by (31)p MAS NMR and FT-IR pyridine adsorption spectroscopy. The catalyst with optimum PTA loading (15\%) and calcination temperature (750 degrees C) was prepared in different solvents. 31p MAS NMR spectra of the catalysts showed two types of phosphorous species, one is the Keggin unit and the other is the decomposition product of PTA and the relative amount of each depends on PTA loading, calcination temperature and the solvent used for the catalyst preparation. The catalysts with 15\% PTA on zirconia calcined at 750 degrees C showed the highest Bronsted acidity. At 130 degrees C and phenol/benzyl alcohol molar ratio of 2 (time, I h), the most active catalyst, 15\% PTA calcined at 750 degrees C gave 98\% benzyl alcohol conversion with 83\% benzyl phenol selectivity. (c) 2004 Elsevier B.V. All rights reserved.

}, keywords = {Benzylation, phenol, Phosphotungstic acid, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2004.12.028}, author = {Devassy, Biju M. and Shanbhag, G. V. and Lefebvre, F. and Bohringer, Walter and Fletcher, Jack C. Q. and Halligudi, Shivaraj B.} } @article { ISI:000237126200040, title = {4-Formylazetidin-2-ones, synthon for the synthesis of (2R,3S) and (2S,3R)-3-amino-2-hydroxydecanoic acid (AHDA)}, journal = {Tetrahedron}, volume = {62}, number = {18}, year = {2006}, month = {MAY}, pages = {4615-4621}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of 3-amino-2-hydroxydecanoic acid (AHDA), a nonproteinogenic amino acid, using enantiopure 3-benzyloxy-4-formylazetidin-2-one as a building block is described. Both the enantiomers of AHDA have been synthesized from the corresponding enantiomer of 3-benzyloxy-4-formylazetidin-2-one in good yield and optical purity. (c) 2006 Published by Elsevier Ltd.

}, keywords = {Amino acids, azetidin-2-ones, Staudinger reaction, stereoselective synthesis, Wittig reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.01.082}, author = {Shirode, N. M. and Deshmukh, A. R. A. S.} } @article { ISI:000238171600014, title = {[6+3] cycloaddition of pentafulvenes with 3-oxidopyrylium betaine: a novel methodology toward the synthesis of 5-8 fused oxabridged cyclooctanoids}, journal = {Tetrahedron}, volume = {62}, number = {25}, year = {2006}, month = {JUN}, pages = {5952-5961}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Pentafulvenes undergo a facile [6+3] cycloaddition with 3-oxidopyrylium betaine, generated from the corresponding pyranulose acetate, leading to the formation of 5-8 fused oxabridged cyclooctanoids. The product is formed by a [6+3] cycloaddition, followed by a 1,5-hydrogen shift of the initially formed [6+3] adduct. The reaction was found to be general and a number of fulvenes with a wide range of substituents at the exocyclic double bond, that is, at the C6 position followed a similar reactivity pattern. The [6+3] adduct, a 5-8 fused oxabridged cyclooctanoid, is potentially amenable to a number of synthetic transformations due to the presence of an alpha, beta-unsaturated ketone and cyclopentadiene part. By selecting appropriately substituted fulvene and pyranulose acetates, it is possible to use this methodology for the synthesis of a wide range of 5-8 fused cyclooctanoids. The experimental results have been rationalized on the basis of theoretical calculations. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {fulvenes, oxabridged cyclooctanoids, oxidopyrylium betaine, [6+3] cycloaddition}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.04.017}, author = {Krishnan, K. Syam and Sajisha, V. S. and Anas, S. and Suresh, C. H. and Bhadbhade, Mohan M. and Bhosekar, Gaurav V. and Radhakrishnan, K. V.} } @article { ISI:000237835100010, title = {Adsorption of octadecyltrichlorosilane on mesoporous SBA-15}, journal = {Applied Surface Science}, volume = {252}, number = {12}, year = {2006}, month = {APR}, pages = {4097-4103}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Adsorption of octadecyltrichlorosilane (OTS) on mesoporous SBA-15 has been studied by using Brunauer-Emmett-Teller (BET) surface area analysis, scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDAX), Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS) and thermo-gravimetric analysis (TGA) techniques. BET surface area analysis shows decrease of surface area from 930 to 416 m(2)/g after OTS adsorption. SEM pictures show close attachment of SBA-15 particles. EDAX measurements show increase of carbon weight percentage and decrease of oxygen and silicon weight percentage. XPS results closely support EDAX analysis. FTIR spectra shows presence of methyl (-CH3) and methylene (-CH2) bands and oriented OTS monolayer on SBA-15. Thermo-gravimetric analysis shows that the OTS adsorbed on SBA-15 are stable up to a temperature of 230 degrees C and that the OTS monolayers decompose between 230 and 400 degrees C. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Adsorption, OTS, SBA-15, Self-assembly, thermal stability}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2005.06.009}, author = {Mirji, S. A. and Halligudi, Shivaraj B. and Sawant, Dhanashri P. and Jacob, Nalini E. and Patil, K. R. and Gaikwad, A. B. and Pradhan, S. D.} } @article { ISI:000236979100030, title = {Amino functionalized novel cholic acid derivatives induce HIV-1 replication and syncytia formation in T cells}, journal = {Journal of Medicinal Chemistry}, volume = {49}, number = {8}, year = {2006}, month = {APR}, pages = {2652-2655}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Synthesis of C-11 azido/amino functionalized cholic acid derivatives has been achieved in excellent yields. Contrary to the previous prediction of analogous compounds to be HIV-1 protease inhibitors, in the present study these novel cholic acid derivatives induced host cell fusion during the progress of HIV-1 infection and produced multinucleated giant cells. This is the first report of syncytia induction and enhancement of viral replication in HIV-1 infected T cells by cholic acid derivatives.

}, issn = {0022-2623}, doi = {10.1021/jm051114u}, author = {Salunke, Deepak B. and Ravi, D. S. and Pore, V. S. and Mitra, Debashis and Hazra, Braja G.} } @article { ISI:000240393500018, title = {Analysis of single PEM fuel cell performances based on current density distribution measurement}, journal = {Journal of Fuel Cell Science and Technology}, volume = {3}, number = {3}, year = {2006}, note = {1st Conference on European Fuel Cell Technology and Applications (EFC2005), Rome, ITALY, DEC 14-16, 2005}, month = {AUG}, pages = {351-357}, publisher = {Univ Perugia; Italian Agcy New Technol \& Environm; Amer Soc Mech Engineers}, type = {Article}, address = {THREE PARK AVE, NEW YORK, NY 10016-5990 USA}, abstract = {

A new in situ measurement method of mapping the current density distribution in polymer electrolyte fuel cells (PEFC) is used to analyze the performance of a fuel cell under different operating conditions. The present method is useful in investigating the current density distribution in a single cell as well as a stack, which carries the information about the local reactant activity over the electrode area It was found that the current density close to the gas inlets is strongly influenced by the reactants{\textquoteright} relative humidity. The performance close to the gas outlets is greatly influenced by the inlet gas pressures and the stoichiometry factors of the reactant gases, mainly on the cathode side. It was also observed that the performance of the fuel cell drops with the increase in operating temperature if the reactant gases are not sufficiently humidified.

}, keywords = {current density distribution, fuel cell performance, PEFC}, issn = {1550-624X}, doi = {10.1115/1.2173664}, author = {Ghosh, P. C. and Wuester, T. and Dohle, H. and Kimiaie, N. and Mergel, J. and Stolten, D.} } @article { ISI:000241574500031, title = {Analytically continued fock space multi-reference coupled-cluster theory: application to the shape resonance}, journal = {Chemical Physics}, volume = {329}, number = {1-3, SI}, year = {2006}, month = {OCT}, pages = {283-289}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The Fock space multi-reference coupled-cluster (FSMRCC) method is used for the study of the shape resonance energy and width in an electron-atom/molecule collision. The procedure is based upon combining a complex absorbing potential (CAP) with FSMRCC theory. Accurate resonance parameters are obtained by solving a small non-Hermitian eigen-value problem. We study the shape resonances in e(-)-C2H4 and e(-)-Mg. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {complex absorbing potential, correlated independent particle potential, Fock space multi-reference coupled-cluster theory, shape resonance}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2006.07.002}, author = {Pal, Sourav and Sajeev, Y. and Vaval, Nayana} } @article { ISI:000240279200047, title = {Assembly of hydrothermally stable ethane-bridged periodic mesoporous organosilicas with spherical and wormlike structures}, journal = {Microporous and Mesoporous Materials}, volume = {94}, number = {1-3}, year = {2006}, month = {SEP}, pages = {364-370}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Hydrothermally stable periodic mesoporous organosilicas with spherical as well as wormlike frame structures were synthesised by two different synthesis routes using the silsesquioxane precursor, 1,2-bis (triethoxy silyl) ethane (BTEE) and surfactant octadecyl trimethyl ammonium (ODTA), under basic conditions. The materials were characterized by PXRD, SEM, TEM, N-2 adsorption-desorption, FT-IR, Si-29 MAS NMR, C-13 CP MAS NMR and TG-DTA techniques. Characterization techniques revealed that the morphology of the hybrid material prepared from pure silsesquioxane precursor resulted in spherical particles while a combination of tetra ethyl orthosilicate and 1,2-bis (triethoxy silyl) ethane (90:10 ratio) resulted in materials having wormlike structures. Hydrothermal stability of the hybrid material was evaluated by refluxing the sample under boiling water for various time periods and was compared with that of a periodic mesoporous silica material, Si-MCM-41. Results showed that the hybrid material is stable up to 100 h in boiling water, with the existence of d(100) peak, while the mesopore structure of Si-MCM-41 get destroyed even after a 12 h reflux time. The improved hydrothermal stability of the hybrid material is related to the more hydrophobic environment induced inside the pore channels, due to the presence of integrating ethane groups in the wall channels. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {hybrid mesoporous materials, Hydrothermal stability, spherical particles, wormlike structures}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.04.012}, author = {Shylesh, S. and Jha, Ratnesh Kumar and Singh, A. P.} } @article { ISI:000242601100010, title = {Assembly of phase transferred nickel nanoparticles at air-water interface using Langmuir-Blodgett technique}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {6}, number = {12}, year = {2006}, month = {DEC}, pages = {3736-3745}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Development of simple and efficient protocol for the synthesis of Ni nanoparticles in aqueous media and their subsequent phase transfer to organic media is reported. The synthesis of nickel nanoparticles in aqueous medium is accomplished by reducing the nickel nitrate with sodium borohydricle in presence of oleic acid. It results in the formation of nickel nanoparticles capped with oleic acid. The pristine oleic acid capped nickel nanoparticles were then phase transferred to nonpolar solvents such as toluene using stearic acid. The phase transfer was effective probably due to the space exchange between the oleic acid moiety and stearic acid molecules. The hydrophobized Ni thus obtained was organized at the air-water interface and it was observed that by controlling the pressure and concentration of hydrophobized Ni nanoparticles at air-water interface, linear ribbon like assemblies could be obtained. The organization process was followed by surface pressure-area isotherm measurement and Brewster Angle Microscopy.

}, keywords = {assembly, Langmuir-Blodgett technique, Ni nanoparticles, Phase transfer}, issn = {1533-4880}, doi = {10.1166/jnn.2006.615}, author = {Bala, Tanushree and Joshi, Bhagyashree and Iyer, Neelima and Sastry, Murali and Bhagavatula L. V. Prasad} } @article { ISI:000241481100021, title = {Beta-lactam-azasugar hybrid as a competitive potent galactosidase inhibitor}, journal = {Tetrahedron Letters}, volume = {47}, number = {45}, year = {2006}, month = {NOV}, pages = {7923-7926}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A beta-lactam-azasugar hybrid (polyhydroxylated carbacephem) has been designed and synthesized as a potent glycosidase inhibitor. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {beta-Galactosidase, beta-lactam-azasugar, glycosidase inhibitor, hybrid molecules}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.09.005}, author = {Pandey, Ganesh and Dumbre, Shrinivas G. and Khan, Mohammad Islam and Shabab, M. and Puranik, Vedavati G.} } @article { ISI:000236076400015, title = {Biodegradation of gamma-sterilised biomedical polyolefins under composting and fungal culture environments}, journal = {Polymer Degradation and Stability}, volume = {91}, number = {5}, year = {2006}, month = {MAY}, pages = {1105-1116}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Polyolefin-based commodities are widely used as biomedical devices and food packaging after gamma-sterilisation. The aim of the present work was to study the effect of gamma-sterilisation on the biodegradation of polyolefins. Films of isotactic polypropylene, high-density polyethylene and ethylene-propylene (EP) copolymers were sterilised under gamma-radiation with doses of 10 and 25 kGy. Neat and sterilised samples were incubated in compost and fungal culture environments. The changes in functional groups, surface morphology and chain scission in polymer chains were characterized by FTIR spectroscopy, SEM and viscometric measurements, respectively. A gradual decrease in intrinsic viscosity [eta] and increase in carbonyl and hydroxyl regions in FTIR spectra were found for the gamma-sterilised samples as a function of increasing dose. Polypropylene was found to be more susceptible to both radio-oxidation and biodegradation. It was observed that in case of ethylene-propylene copolymers, extent of gamma-sterilisation and/or biodegradation depends on the composition and distribution of comonomers. Important surface erosion was detected by SEM, for higher sterilisation doses, after composting. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Biodegradation, chain scission, Composting and fungal culture, gamma-sterilisation, Polyolefins}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2005.07.004}, author = {Alariqi, Sameh A. S. and Kumar, A. P. and Rao, B. S. M. and Singh, R. P.} } @article { ISI:000237358000001, title = {Characterization of polydimethylsiloxane rubber upon photochemical, thermal, salt-fog ageings and exposure to acid vapours}, journal = {E-Polymers}, year = {2006}, month = {MAY}, pages = {Article No. 013}, publisher = {EUROPEAN POLYMER FEDERATION}, type = {Article}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {

The changes in the chemical structure and the physical properties of a filled crosslinked polydimethylsiloxane rubber were monitored as a function of various ageing factors. The variables included photochemical, thermal, salt-fog ageings and exposure to acid vapours. Unaged and aged samples were studied by IR spectroscopy, hardness measurements, Differential Scanning Calorimetry (DSC) and thermogravimetric analysis (TGA) coupled with IR spectroscopy. No significant oxidation was detected after all ageings, except for nitric acid treatment. The presence of aluminium trihydrate was clearly identified as responsible for the observed chemical changes. Then an important vulnerability of this filled silicone rubber towards the cross-linking reactions provoked by usual ageings was also detected. The DSC-thermoporosimetry measurements of the mesh size distribution gave a comparison of cross-linking densities for each ageing. The complementary analysis with TGA-IR allowed us to differenciate the thermal stability of the formulation after various ageings and to acquire new knowledge about thermal decomposition.

}, issn = {1618-7229}, author = {Delor-Jestin, Florence and Tomer, N. S. and Singh, R. P. and Lacoste, Jacques} } @article { ISI:000239077500019, title = {Chemo-, regio- and stereo-selective aerial oxidation of limonene to the endo-1,2-epoxide over Mn(Salen)-sulfonated SBA-15}, journal = {Applied Catalysis A-General}, volume = {309}, number = {1}, year = {2006}, month = {JUL}, pages = {144-154}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Mn(Salen) complexes immobilized on sulfonic acid-functionalized SBA-15 molecular sieves (SBA-15-pr-SO3-Mn(Salen)) catalyze the Mukaiyama-type oxidation of R-(+)-limonene selectively to the 1,2-epoxide with molecular oxygen at 298 K (Salen = N,N-ethylenebis(salicylidenaminato)). The endo-diastereomer is formed with a diasteromeric excess of 39.8\%. This catalyst exhibited higher catalytic activity than {\textquoteleft}{\textquoteleft}neat{\textquoteright}{\textquoteright} Mn(Salen) complexes directly supported on SBA-15 or zeolite-Y. A change in the oxidation state of Mn from +3 in the {\textquoteleft}{\textquoteleft}neat{\textquoteright}{\textquoteright} complex to +2 when immobilized on the sulfonated surface is a probable cause for the observed enhancement of catalytic activity. A part of the Mn complexes was leached out of the solid phase during the reaction. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {aerial oxidation of limonene, catalysis by Mn(Salen) complexes, chemo-, immobilized Mn Schiff base complexes, Mesoporous molecular sieves, Mukaiyama-type oxidation, regio- and stereo-selective epoxidation, sulfonic acid-functionalized SBA-15}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.05.011}, author = {Saikia, Lakshi and Srinivas, D. and Ratnasamy, Paul} } @article { ISI:000237318000033, title = {Chemoselective anti-Markovnikov hydroamination of alpha,beta-ethylenic compounds with amines using montmorillonite clay}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {250}, number = {1-2}, year = {2006}, month = {MAY}, pages = {210-217}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The catalytic activity of montmorillonite clays as a catalyst for the hydroamination of alpha,beta-ethylenic compounds with amines was tested. Aniline and substituted amines reacted with alpha,beta-ethylenic compounds in the presence of catalytic amount of commercially available clay to afford exclusively anti-Markovnikov adduct in excellent yields. Aniline reacted with ethyl acrylate to yield only anti-Markovnikov adduct N-[2-(ethoxycarbonyl)ethyl] aniline (mono-addition product). No Markovnikov adduct (N-[1-(ethoxycarbonyl)ethyl]aniline and double addition product N,N-bis[2-(ethoxycarbonyl)ethyl]aniline were formed under selected reaction conditions. For a better exploitation of the catalytic activity in terms of increased activity and improved selectivity for the mono-addition product, the reaction parameters were optimized in terms of temperature, solvent, reactant mole ratio. Under optimized reaction conditions, montmorillonite clay K-10 showed a superior catalytic performance in the hydroamination of ethyl acrylate with aniline with a conversion of aniline to mono-addition product (almost 100\% chemoselectivity) with a high rate constant 0.3414 min(-1) compared to the reported protocols. The dependence of conversion of aniline over different types of montmorillonite clays (K-10, K-20, K-30, Al-Pillared clay and untreated clay) has also been discussed. The activities of clay for the hydroamination of different aromatic and aliphatic amines have also been investigated. Under harsh reaction conditions (increased temperature and long reaction time) small amounts of di-addition products were observed. The kinetics data has been interpreted using the initial rate approach model. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {alpha, amines, anti-Markovnikov addition product, beta-ethylenic compounds, chemo-selective, hydroamination, K-10 montmorillonite clay}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.01.062}, author = {Joseph, Trissa and Shanbhag, G. V. and Sawant, D. P. and Halligudi, Shivappa B.} } @article { ISI:000241306300002, title = {Claisen rearrangement of allyl phenyl ether over zeolites beta, mordenite and Y}, journal = {Microporous and Mesoporous Materials}, volume = {95}, number = {1-3}, year = {2006}, month = {OCT}, pages = {8-16}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The Claisen rearrangement of allyl phenyl ether (APE) to o-allylphenol was investigated over zeolites beta (BEA), mordenite (MOR) and Y (FAU) with different Si/Al ratios. Over the zeolite catalysts, the allylphenol cyclized to produce 2,3-dihydro-2-methyl benzofuran. Larger catalyst loading, higher reaction temperatures and longer run duration favored the formation of the ring compound. Conversion was small over MOR and FAU although they possessed higher acidity (as measured by the temperature programmed desorption of ammonia) compared to BEA. Studies using BEA revealed that the nature of the solvent influenced the reaction rate. The order of reactivity in the solvents was, benzene \> EDC (1,2-dichloroethane) \> toluene \> TCE (1, 1,2,2-tetrachloroethane) \>\> ACN (acetonitrile). The intermediate allylphenol reacted with the aromatic solvents to produce byproducts when benzene and toluene were used as solvents. A kinetic analysis assuming first order series and parallel reactions is presented. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {allyl phenyl ether, allylphenol, Benzofuran, Claisen rearrangement, zeolites}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.05.001}, author = {Wagholikar, S. G. and Mayadevi, S. and Jacob, Nalini E. and Sivasanker, S.} } @article { ISI:000239671800023, title = {Cobalt-containing hexagonal mesoporous molecular sieves (Co-HMS): Synthesis, characterization and catalytic activity in the oxidation reaction of ethylbenzene}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {255}, number = {1-2}, year = {2006}, month = {AUG}, pages = {123-130}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Cobalt-containing hexagonal mesoporous materials (Co-HMS and Co/HMS) with different cobalt content were synthesized for the first time by direct hydrothermal and post-synthesis (grafting) method. The materials were characterized in detail by X-ray diffraction, BET surface area, N-2 sorption isotherms, SEM, TEM, UV-vis and XPS techniques. Powder X-ray diffraction pattern, N2 adsorption-desorption analysis and TEM analysis show the presence of hexagonal mesoporous structure, having Type W isotherms and reveals the typical wormhole-like morphology. Spectroscopic techniques like UV-vis and XPS reveal cobalt in +2 oxidation state and tetrahedrally coordinated. Liquid phase oxidation of ethylbenzene using TBHP (70 wt\%) as an oxidant shows that the catalysts are highly active, under solvent free conditions as well as under lower cobalt concentrations. Leaching studies performed by hot filtration experiments show that the cobalt catalysts prepared by hydrothermal methods are stable, while the grafted catalysts show the leaching of cobalt under the reaction conditions. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Co-HMS, ethylbenzene, HMS, hydrothermal, Oxidation}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.03.072}, author = {Bhoware, Shrikant S. and Shylesh, S. and Kamble, K. R. and Singh, A. P.} } @article { ISI:000237405000023, title = {Co-catalyzed reductive cyclization of azido and cyano substituted alpha,beta-unsaturated esters with NaBH4: enantioselective synthesis of (R)-baclofen and (R)-rolipram}, journal = {Tetrahedron}, volume = {62}, number = {20}, year = {2006}, month = {MAY}, pages = {4907-4916}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Sodium borohydride in combination with a catalytic amount of CoCl, has been found to be an excellent catalytic system in reductive cyclizations of suitably substituted azido and cyano groups of alpha,beta-unsaturated esters to afford gamma and delta-lactams in high yields. The process has been demonstrated for the enantioselective synthesis of (R)-baclofen, (R)-rolipram, and (R)-4-fluorophenylpiperidinone, a key intermediate for (-)-paroxetine. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {Asymmetric synthesis, cobalt chloride, gamma and delta-lactams, reduction, sodium borohydride}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.03.017}, author = {Paraskar, A. S. and Sudalai, A.} } @article {Li, title = {Conjugate addition of a silyl ketene acetal to alpha,beta-unsaturated lactones}, journal = {Synthetic Communications}, volume = {36}, number = {7}, year = {2006}, note = {International Conference on Nanomaterials (NANO 2005), Mepco Schlenk Engn Coll, Sivakasi, INDIA, JUL 13-15, 2005}, month = {AUG}, pages = {885-890}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

{Conjugate addition of a silyl ketene acetal [

}, keywords = {acetals, deprotection, MoO3/SiO2, protection}, issn = {0039-7911}, doi = {10.1080/00397910500466058}, author = {Gnaneshwar, Rudhramyna and Sivaram, S} } @article { ISI:000238220900056, title = {Construction of conductive multilayer films of biogenic triangular gold nanoparticles and their application in chemical vapour sensing}, journal = {Nanotechnology}, volume = {17}, number = {9}, year = {2006}, month = {MAY}, pages = {2399-2405}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Metal nanoparticles are interesting building blocks for realizing films for a number of applications that include bio- and chemical sensing. To date, spherical metal nanoparticles have been used to generate functional electrical coatings. In this paper we demonstrate the synthesis of electrically conductive coatings using biologically prepared gold nanotriangles as the building blocks. The gold nanotriangles are prepared by the reduction of aqueous chloroaurate ions using an extract of the lemongrass plant (Cymbopogon flexuosus) which are thereafter assembled onto a variety of substrates by simple solution casting. The conductivity of the film shows a drastic fall upon mild heat treatment, leading to the formation of electrically conductive thin films of nanoparticles. We have also investigated the possibility of using the gold nanotriangle films in vapour sensing. A large fall in film resistance is observed upon exposure to polar molecules such as methanol, while little change occurs upon exposure to weakly polar molecules such as chloroform.

}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/9/055}, author = {Singh, Amit and Chaudhary, Minakshi V. and Sastry, Murali} } @article { ISI:000241508000039, title = {Control of stereoselectivity in 4-tert-butylphenol hydrogenation over a carbon-supported rhodium catalyst by carbon dioxide solvent}, journal = {Chemistry Letters}, volume = {35}, number = {9}, year = {2006}, month = {SEP}, pages = {1060-1061}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

cis-4-tert-Butylcyclohexanol was obtained with a high cis ratio (cis/(cis + trans) = 0.9) in the hydrogenation of 4-tert-butylphenol over a carbon-supported rhodium catalyst along with hydrochloric acid in supercritical carbon dioxide solvent.

}, issn = {0366-7022}, doi = {10.1246/cl.2006.1060}, author = {Hiyoshi, Norihito and Mine, Eiichi and Rode, Chandrashekhar V. and Sato, Osamu and Ebina, Takeo and Shirai, Masayuki} } @article { ISI:000241435600021, title = {Convergent approach toward the synthesis of the stereoisomers of C-6 homologues of 1-deoxynojirimycin and their analogues: evaluation as specific glycosidase inhibitors}, journal = {Journal of Organic Chemistry}, volume = {71}, number = {22}, year = {2006}, month = {OCT}, pages = {8481-8488}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new and stereoselective strategy is developed to synthesize an appropriate template 9 to obtain C-6 homologues of 1-deoxyazasugars such as 1-deoxy-D-galactohomonojirimycin ( 5), 1-deoxy-4-hydroxymethyl-D-glucohomonojirimycin (6), and their enantiomers. The template 9 is also used to obtain neutral nonbasic pseudo-glyconolactam (8), C-4 amino, and methyl analogues of 1-deoxy- homonojirimycin as new analogues of 1- deoxyhomoazasugars. Compound 5 is found to be a potent and specific inhibitor to alpha-galactosidase (K-i = 1.7 mu M). Similarly compounds 6 (K-i = 28 mu M), ent-5 (K-i = 129 mu M), and ent-6 K-i = 12 mu M) exhibited specific inhibition of beta-glucosidase.

}, issn = {0022-3263}, doi = {10.1021/jo061455v}, author = {Pandey, Ganesh and Dumbre, Shrinivas G. and Khan, Mohammad Islam and Shabab, M.} } @article { ISI:000238963800023, title = {Copper-, ligand- and solvent-free synthesis of ynones by coupling acid chlorides with terminal alkynes}, journal = {Tetrahedron Letters}, volume = {47}, number = {31}, year = {2006}, month = {JUL}, pages = {5527-5530}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A general and efficient copper-, ligand- and solvent-free synthesis of ynones by coupling of a wide range of acid chlorides with terminal alkynes catalyzed by palladium(II) acetate at room temperature is reported. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {ligandless, neat, ynones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.05.166}, author = {Palimkar, Sanjay S. and Kumar, P. Harish and Jogdand, Nivrutti R. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, Kumar V.} } @article { ISI:000237439300005, title = {Coprecipitation technique to prepare NaNbO3 and NaTaO3}, journal = {Bulletin of Materials Science}, volume = {29}, number = {2}, year = {2006}, month = {APR}, pages = {123-125}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

A simple coprecipitation technique has been used successfully for the preparation of pure, ultrafine, single phases of NaNbO3 (NN) and NaTaO3 (NT). An alcoholic solution of ammonium carbonate and ammonium hydroxide was used to precipitate Na+ and Nb5+ (or Ta5+) cations under basic conditions as carbonate and hydroxide, respectively. On heating at 700 degrees C, these precursors produce respective products. For comparison, both NN and NT powders were also prepared by the traditional solid state method. The phase purity and lattice parameters were studied by powder X-ray diffraction (XRD). The particle size and morphology were studied by scanning electron microscopy (SEM).

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, electronic materials, Oxides, X-ray methods}, issn = {0250-4707}, doi = {10.1007/BF02704604}, author = {Samuel, V and Gaikwad, A. B. and Ravi, V} } @article { ISI:000238866300004, title = {Coprecipitation technique to prepare Sr0.5Ba0.5Nb2O6}, journal = {Bulletin of Materials Science}, volume = {29}, number = {3}, year = {2006}, month = {JUN}, pages = {221-223}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

An aqueous mixture of ammonium oxalate and ammonium hydroxide was used to coprecipitate barium and strontium ions as oxalates and niobium ions as hydroxide under basic conditions. This precursor on calcining at 750 degrees C yielded Sr0.5Ba0.5Nb2O6 phase. This is a much lower temperature than that prepared by traditional solid state method (1000 degrees C) as reported for the formation of Sr0.5Ba0.5Nb2O6 (SBN). Transmission electron microscopic (TEM) investigations revealed that the average particle size was 80 nm for the calcined powders. The room temperature dielectric constant at I kHz was found to be 1100. The ferroelectric hysteresis loop parameters of these samples were also studied.

}, keywords = {Ceramics, Electron microscopy, ferroelectricity, Oxides, X-ray diffraction}, issn = {0250-4707}, doi = {10.1007/BF02706488}, author = {Murugan, A. Vadivel and Gaikwad, A. B. and Samuel, V. and Ravi, V.} } @article { ISI:000239270000033, title = {Cu(OTf)(2) or Et3N-catalyzed three-component condensation of aldehydes, amines and cyanides: a high yielding synthesis of alpha-aminonitriles}, journal = {Tetrahedron Letters}, volume = {47}, number = {32}, year = {2006}, month = {AUG}, pages = {5759-5762}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Copper(II) triflate or Et3N have been found to catalyze, under ambient conditions, the addition of a cyanide anion, such as trimethylsilyl cyanide or acetone cyanohydrin, onto in situ generated imines, furnishing alpha-aminonitriles in excellent yields. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {aldehydes, aminonitriles, multicomponent reactions, organocatalyst, Strecker reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.06.008}, author = {Paraskar, Abhimanyu S. and Sudalai, Arumugam} } @article { ISI:000237126200010, title = {Cyclitol based metal complexing agents. preference for the extraction of lithium by myo-inositol based crown-4-ethers depends on the relative orientation of crown ether oxygen atoms}, journal = {Tetrahedron}, volume = {62}, number = {18}, year = {2006}, month = {MAY}, pages = {4360-4363}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

myo-Inositol derived crown-4-ethers in which two of the oxygen atoms in the crown ether moiety have different relative orientations were prepared. Metal picrate binding studies revealed that the crown ether having 1,3-diaxial orientation shows the highest selectivity for binding to lithium although the crown ether having 1,2-diequatorial orientation exhibited the highest binding constant for lithium picrate. These results suggest that relative binding affinity of metal ions to crown ethers can be tuned by varying the relative orientation of crown ether oxygen atoms. The relevance of these results to the previously observed regioselectivity during the O-substitution of myo-inositol orthoesters is discussed. (c) 2606 Elsevier Ltd. All rights reserved.

}, keywords = {crown ether, Cyclitol, Inositol, ligand, lithium, metal complex}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.02.075}, author = {Dixit, Shailesh S. and Shashidhar, M. S. and Devaraj, Subramanian} } @article { ISI:000237525300035, title = {Densities and heat capacities of the ammonia plus water plus NaOH and ammonia plus water plus KOH solutions}, journal = {Journal of Chemical and Engineering Data}, volume = {51}, number = {3}, year = {2006}, month = {MAY}, pages = {1020-1025}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Ammonia + water + sodium hydroxide and ammonia + water + potassium hydroxide mixtures were chosen as potential candidates for absorption chillers driven by low-temperature heat sources. Heat capacity and density were studied between (293.15 and 353.15) K at a constant pressure of 1.8 MPa for these solutions using a heat flux Calvet-type calorimeter and a vibrating-tube densimeter, respectively. Measured data were well-correlated with temperature and composition using simple polynomial equations. The relative deviations between the experimental and calculated values in the density and heat capacity measurements were 0.20 \% and 0.49 \% for NH3 + H2O + NaOH solutions and 0.10 \% and 0.36 \% for NH3 + H2O + KOH solutions, respectively. Also, two density prediction methods were checked using the experimental data. Previously, it was necessary to measure the density of ammonia and hydroxide aqueous solutions in similar conditions. The results showed that both methods are suitable for predicting the density of these solutions.

}, issn = {0021-9568}, doi = {10.1021/je050512z}, author = {Salavera, D. and Libotean, S. and Patil, K. R. and Esteve, X. and Coronas, Alberto} } @article { ISI:000241967600018, title = {Design and synthesis of fluconazole/bile acid conjugate using click reaction}, journal = {Tetrahedron}, volume = {62}, number = {48}, year = {2006}, month = {NOV}, pages = {11178-11186}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Novel fluconazole/bile acid conjugates were designed and their regioselective synthesis was achieved in very high yield via Cu(I) catalyzed intermolecular 1,3-dipolar cycloaddition. These new molecules showed good antifungal activity against Candida species. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2, 3-Triazole, Antifungal agent, bile acid, Click chemistry, fluconazole/bile acid conjugate}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.09.021}, author = {Pore, Vandana S. and Aher, Nilkanth G. and Kumar, Manish and Shukla, Praveen K.} } @article { ISI:000242940500015, title = {Development of a simple high-throughput screening protocol based on biosynthetic activity of Mycobacterium tuberculosis glutamine synthetase for the identification of novel inhibitors}, journal = {Journal of Biomolecular Screening}, volume = {11}, number = {8}, year = {2006}, month = {DEC}, pages = {1035-1042}, publisher = {SAGE PUBLICATIONS INC}, type = {Article}, address = {2455 TELLER RD, THOUSAND OAKS, CA 91320 USA}, abstract = {

A high-throughput screening protocol has been developed for Mycobacterium tuberculosis glutamine synthetase by quantitative estimation of inorganic phosphate. The K., values determined at pH 6.8 are 22 mM for L-glutamic acid, 0.75 mM for NH4Cl, 3.25 mM for MgCl2, and 2.5 mM for adenosine triphosphate. The K-m value for glutamine is affected significantly by the increase in pH of assay buffer. At the saturating level of the substrate, the enzyme activity at pH 6.8 and 25 degrees C is found to be linear up to 3 h. The reduction of enzyme activity is negligible even in presence of 10\% DMSO. The Z{\textquoteright} factor and signal-to-noise ratio are found to be 0.75 and 6.18, respectively, when the enzyme is used at 62.5 mu g/ml concentration. The IC50 values obtained at pH 6.8 for both L-methionine S-sulfoximine and DL-phosphothriacin are 500 mu M and 30 pM, respectively, which is lowest compared to the values obtained at other pH levels. The Beckman Coulter high-throughput screening platform was found to take 5 h 9 min to complete the screening of 60 plates. For each assay plate, a replica plate is used to normalize the data. Screening of 1164 natural product fractions/extracts and synthetic molecules from an in-house library was able to identify 12 samples as confirmed hits. Altogether, the validation data from screening of a small set of an in-house library coupled with Z{\textquoteright} and signal-to-noise values indicate that the protocol is robust for high-throughput screening of a diverse chemical library.

}, keywords = {Beckman Coulter, biosynthetic activity, Glutamine synthetase, high-throughput screening, Mycobacterium tuberculosis}, issn = {1087-0571}, doi = {10.1177/1087057106292798}, author = {Singh, Upasana and Sarkar, Dhiman} } @article { ISI:000245010200010, title = {Differentially expressed gene transcripts in roots of resistant and susceptible chickpea plant (Cicer arietinum L.) upon Fusarium oxysporum infection}, journal = {Physiological and Molecular Plant Pathology}, volume = {68}, number = {4-6}, year = {2006}, month = {APR}, pages = {176-188}, publisher = {ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD}, type = {Article}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

Differentially expressed genes in chickpea, (Cicer arietinum L.) during root infection by Fusarium oxysportan f sp. ciceri Racel, were identified using cDNA-RAPD and cDNA-AFLP approaches. The former employed decamer primers on cDNA template and revealed nine differentially expressed transcripts in the resistant-infected chickpea variety. Among the 2000 transcript-derived fragments (TDFs) screened by cDNA-AFLP, 273 were differentially expressed in chickpea roots during Fusaritan infection. Only 13.65\% of the TDFs were differentially regulated during pathogen challenge, while the other 86\% were expressed non-differentially during the process of pathogen infection in chickpea roots. Nineteen TDFs, which expressed differentially in the resistant-infected chickpea variety were cloned and sequenced. Two of these TDFs were similar to transcription factors like WRKY proteins and 14-3-3 proteins, while three TDFs represented the NBS-LRR-type gene sequences. Two TDFs had sequence identity to genes known to have function in defense. The RAPID TDF CaFRi60 showed sequence identity to gamma-glutamyl-cysteine synthetase. Among the TDFs examined by cDNA-AFLP, 19 were confirmed by Reverse Northern blot to be differentially expressed. The data confirms the effectiveness of the cDNA-AFLP technique in detecting differentially expressed genes during pathogenesis. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {cDNA-AFLP, Chickpea, Cicer arietinum, differentially expressed genes, fusarium oxysporum, Transcriptome}, issn = {0885-5765}, doi = {10.1016/j.pmpp.2006.10.003}, author = {Nimbalkar, Suhas B. and Harsulkar, Abhay M. and Giri, Ashok P. and Sainani, Mohini N. and Franceschi, Vincent R. and Gupta, Vidya S.} } @article { ISI:000240713700017, title = {Direct hydrothermal synthesis of highly ordered Sn-SBA-15 mesoporous materials}, journal = {Chemistry Letters}, volume = {35}, number = {8}, year = {2006}, month = {AUG}, pages = {860-861}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

Well-ordered Sn4+-incorporated mesoporous silica SBA-15 samples have been synthesized from tetraethyl orthosilicate (TEOS) and SnCl4 (Si/Sn = 114-15) using nonionic surfactants under a slightly higher pH medium (optimum H2O to HCl molar ratio) and characterized by XRD (an increase in lattice parameter), TEM (no SnO2 species) and UV-vis spectral (absorption at 211 nm) techniques to show that Sn4+ ions are in tetrahedral coordination in Sn-SBA-15.

}, issn = {0366-7022}, doi = {10.1246/cl.2006.860}, author = {Shah, Pallavi and Ramaswamy, Arumugamangalam V. and Ramaswamy, Veda} } @article { ISI:000238728500016, title = {Direct oxidation of H-2 to H2O2 over Pd-based catalysts: influence of oxidation state, support and metal additives}, journal = {Applied Catalysis A-General}, volume = {308}, year = {2006}, month = {JUL}, pages = {128-133}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The influence of oxidation state (reduced and oxidized), support (ZrO2, Ga2O3, CeO2, SiO2, H-beta, ThO2, CeO2-ZrO2, BPO4 and Pd/Al2O3) and precious metal additives (Au, Pt, Rh and Ru) on the direct H2O2 synthesis has been investigated over Pd-based catalysts. For all the supports investigated herein, the oxidized Pd catalysts showed significantly superior H2O2 yields as compared to their reduced counterparts. The effect of the Pd oxidation state was found to be more important for determining the H2O2 yields than the particle size and surface area properties of the catalyst system. An excellent correlation was observed between the H2O2 selectivity and H2O2 decomposition activity of the oxidized Pd catalysts. The oxidized Pd catalysts showed almost an order of magnitude lower H2O2 decomposition activity than the reduced catalysts. The H2O2 yield in the H-2 to H2O2 oxidation passed through a maximum with increase in the An concentration. Although a similar effect was also observed in case of Pt, Au was found to be a superior promoter for the direct H2O2 synthesis process. Addition of Rh and Ru was found to be detrimental for the H2O2 yields; these results can be explained in terms of increased H2O2 decomposition activity and/or enhanced H-2 to H2O reaction activity in their presence. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {decomposition, direct synthesis, H2O2, metal additives, oxidation state, Pd catalysts, supports}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.04.010}, author = {Choudhary, Vasant R. and Samanta, C. and Choudhary, Tushar V.} } @article { ISI:000239542900032, title = {Direct synthesis of nanocrystalline silver from the reaction between silver carboxylates and n-trioctylphosphine}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {6}, number = {7}, year = {2006}, month = {JUL}, pages = {2095-2102}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Neat n-Trioctylphosphine (TOP) has been used for the first ever time for reduction of silver nitrate and silver carboxylates (citrate, oleate, and myristate) under mild thermal reaction conditions. UV-visible absorption measurements of re-dispersible silver particles that were obtained by reduction of silver myristrate (product-IV) and silver nitrate (product-I) showed surface plasmon resonance absorption peak at 400 nm. The powder XRD pattern of fcc zero-valent silver resulted in diameters in the range of about 25-30 nm. TEM analysis showed particle diameter similar to that was observed by the XRD. FTIR spectroscopy revealed that the organics from the carboxylate group are retained by the nano-particles in case of product-IV however, presence of TOP is observed in product-I. It is found that when silver nitrate is reduced by TOP, spherical silver nano-particles with poor redispersity are formed but extended heating results in formation of long silver rods of micrometer size however, the re-dispersible nano-particles are easily formed when silver carboxylates are reduced by TOP.

}, keywords = {Chemical synthesis, Nanocrystalline, noble metal, XRD}, issn = {1533-4880}, doi = {10.1166/jnn.2006.339}, author = {Charan, Shobhit and Singh, Narendra and Khanna, P. K. and Patil, K. R.} } @article { ISI:000237477400077, title = {Directed organization of gold nanoclusters on silver nanowires: a step forward in heterostructure assembly}, journal = {Applied Physics Letters}, volume = {88}, number = {19}, year = {2006}, month = {MAY}, pages = {193103}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

We investigate the directed assembly of tridecylamine protected gold nanoclusters of 4-5 nm size on functionalized silver nanowires of 55-60 nm diameter and the electron transfer behavior of this integrated structure using transmission electron microscopy, non-contact atomic force microscopy, and scanning tunneling microscopy/spectroscopy. Linear I-V for bare silver nanowire suggests metallic behavior but high tunnel resistance indicates presence of insulating layer on the surface. Identical I-Vs obtained for isolated gold nanoparticle and heterostructure suggests that electron transport across nanowires in the latter is governed by gold nanoparticles in contrast to expected ballistic or diffusive transport along their length.(c) 2006 American Institute of Physics.

}, issn = {0003-6951}, doi = {10.1063/1.2200284}, author = {Sharma, J. and Vivek, J. P. and Vijayamohanan, K. P. and Singh, P. and Dharmadhikari, C. V.} } @article { ISI:000242598200030, title = {Effect of a focusing electric field on the formation of arc generated carbon nanotubes}, journal = {Nanotechnology}, volume = {17}, number = {23}, year = {2006}, month = {DEC}, pages = {5895-5902}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

The effect of a focusing electric field on the formation of carbon nanotubes in a direct current arc-plasma is investigated. The hard deposits on the surface of the cathode are the main products, rich in multi-walled carbon nanotubes. It is seen that the focusing electric field has a distinct influence on the yield, purity and morphology of the nanotubes. The yield of the carbon nanotubes under the {\textquoteleft}focused field condition{\textquoteright} has been found to be higher than that derived from the normal electrode configuration. It has been observed that the deposition of carbonaceous soot on the reactor wall is considerably reduced on application of the focusing electric field. Transmission electron microscopy has been used to determine the morphology of the nanotubes. In addition, Raman spectroscopy has helped in distinguishing the graphene-like structures from the disordered carbon networks and helped in analysing the morphology of the tubes. Thermal analysis gave a qualitative estimation of the relative yield of carbon nanotubes within the cathode deposits and their thermal stabilities. The crystalline nature of the samples has been confirmed by x-ray diffraction analysis. The results clearly indicate that the focusing electric field confines the positively charged carbon precursors within the cathode-anode space causing high relative yield and purity and has a distinct effect on controlling the inner diameter of the as-synthesized carbon nanotubes.

}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/23/030}, author = {Karmakar, Soumen and Nagar, Harshada and Pasricha, R. and Seth, T. and Sathe, V. G. and Bhoraskar, S. V. and Das, A. K.} } @article { ISI:000240707800018, title = {Effect of annealing on properties of ZrSe2 thin films}, journal = {Journal of Crystal Growth}, volume = {294}, number = {2}, year = {2006}, month = {SEP}, pages = {254-259}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Thin films of ZrSe2 have been prepared on stainless steel and fluorine-doped tin oxide-coated glass substrates using electrodeposition technique at potentiostatic mode. Double-distilled water containing precursors Zr and Se with ethylene diamine tetra-acetic acid disodium salt as a complexing agent was used to obtain good quality deposits by controlling the rate of reaction. The preparative parameters such as concentration of bath, deposition time, bath temperature, pH of the bath and annealing temperature have been optimized using photoelectrochernical (PEC) technique. The films deposited at optimum preparative parameters are annealed at different temperatures. The film annealed at 200 degrees C shows more photosensitivity. The as-deposited and annealed films at 200 degrees C have been characterized by X-ray diffraction (XRD), energy dispersive analysis by X-ray (EDAX), optical absorption and scanning electron microscopy (SEM). The XRD analysis of the as-deposited and annealed films showed the presence of polycrystalline nature with hexagonal crystal structure. EDAX study reveals that deposited films are almost stoichiometric. Optical absorption study shows the presence of direct transition and band gap energies are found to be 1.5 and 1.38 eV, respectively, for the as-deposited and annealed films. SEM study revels that the grains are uniformly distributed over the surface of substrate for the as-deposited as well as annealed film, which indicates formation of good and compact type of crystal structure. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {band gap, EDAX, Electrodeposition, PEC, SEM, XRD, ZrSe2 thin films}, issn = {0022-0248}, doi = {10.1016/j.jcrysgro.2006.06.018}, author = {Hankare, P. P. and Asabe, M. R. and Kokate, A. V. and Delekar, S. D. and Sathe, D. J. and Mulla, Imtiaz S. and Chougule, B. K.} } @article { ISI:000238110300002, title = {Effect of organic additives on the mitigation of volatility of 1-nitro-3,3 {\textquoteleft}-dinitroazetidine (TNAZ): next generation powerful melt cast able high energy material}, journal = {Journal of Hazardous Materials}, volume = {134}, number = {1-3}, year = {2006}, month = {JUN}, pages = {8-18}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

1-Nitro-3,3{\textquoteright}-dinitroazetidine(TNAZ) was synthesized based on the lines of reported method. Thermolysis studies on synthesized and characterized TNAZ using differential scanning calorimetry (DSC) and hyphenated TG-FT-IR techniques were undertaken to generate data on decomposition pattern. FF-IR of decomposition products of TNAZ revealed the evolution of oxides of nitrogen and HCN containing species suggesting the cleavage of C/N-NO(2) bond accompanied with the collapse of ring structure. The effect of incorporation of 15\% additives namely, 3-amino-1,2,4-triazole(AT), 3,5-diamino-1,2,4-triazole (DAT), carbohydrazide (CHZ), 5,7-dinitrobenzofuroxan (DNBF), bis (2,2-dinitropropyl) succinate (BNPS), triaminoguanidinium nitrate (TAGN), 2,4,6-trinitrobenzoic acid (TNBA) and nitroguanidine (NQ) on the volatility of TNAZ was investigated by undertaking thermogravimetric analysis. The TG pattern brings out the potential of BNPS and TAGN as additives to mitigate the volatility of TNAZ. The influence of additives on thermal decomposition of pattern of TNAZ was also investigated by DSC. The DSC results indicated that the additives did not have appreciable effect on the melting point of TNAZ. Scanning electron microscopic (SEM) studies were carried out to investigate the effect of additives on morphology of TNAZ. This paper also discusses the possible mechanism involved in between the TNAZ and TAGN and BNPS. It appears that the formation of charge transfer complex formation between the TNAZ and TAGN/BNPS. The effect of addition of high explosives such as CL-20, HMX and RDX on thermo-physical characteristics of TNAZ is also reported in this paper. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {melt castable explosive, morphological structure, synthesis, Thermolysis, trinitroazetidine (TNAZ), volatility behavior}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2003.10.008}, author = {Talawar, M. B. and Singh, Alok and Naik, N. H. and Polke, B. G. and Gore, G. M. and Asthana, S. N. and Gandhe, B. R.} } @article { ISI:000238329100003, title = {Effect of thermal annealing on Fe40Ni38B18Mo4 thin films: modified Herzer model for magnetic evolution}, journal = {Journal of Physics D-Applied Physics}, volume = {39}, number = {10}, year = {2006}, month = {MAY}, pages = {1993-2000}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Magnetic properties of nano-crystalline soft magnetic alloys have usually been correlated to structural evolution with heat treatment. However, literature reports pertaining to the study of nano-crystalline thin films are less abundant. Thin films of Fe40Ni38B18Mo4 were deposited on glass substrates under a high vacuum of approximate to 10(-6) Torr by employing resistive heating. They were annealed at various temperatures ranging from 373 to 773K based on differential scanning calorimetric studies carried out on the ribbons. The magnetic characteristics were investigated using vibrating sample magnetometry. Morphological characterizations were carried out using atomic force microscopy (AFM), and magnetic force microscopy (MFM) imaging is used to study the domain characteristics. The variation of magnetic properties with thermal annealing is also investigated. From AFM and MFM images it can be inferred that the crystallization temperature of the as-prepared films are lower than their bulk counterparts. Also there is a progressive evolution of coercivity up to 573 K, which is an indication of the lowering of nano-crystallization temperature in thin films. The variation of coercivity with the structural evolution of the thin films with annealing is discussed and a plausible explanation is provided using the modified random anisotropy model.

}, issn = {0022-3727}, doi = {10.1088/0022-3727/39/10/002}, author = {Hysen, T. and Deepa, S. and Saravanan, S. and Ramanujan, R. V. and Avasthi, D. K. and Joy, Pattayil Alias and D Kulkarni, S. and Anantharaman, Maliemadom R.} } @article {42506, title = {Efficient protocol for genetic transformation and shoot regeneration of turmeric (Curcuma longa L.) via particle bombardment}, journal = {Plant Cell Reports}, volume = {25}, year = {2006}, month = {MAR}, pages = {112-116}, type = {Article}, doi = {10.1007/s00299-005-0033-1}, author = {Shirgurkar, M. V. and Naik, V. B. and von Arnold, S. and Nadgauda, R. S. and Clapham, D. H.} } @article {42586, title = {Electrical bistability in a xanthene class molecule: conduction mechanisms}, journal = {Applied Physics Letters}, volume = {89}, year = {2006}, month = {OCT}, pages = {Article No: 142110}, abstract = {

The author study conduction mechanism in two conducting states of a bistable device at range. They find that in the electrical bistable devices, electrical switching is associated with a change in the conduction mechanism. Device current in the low-conducting state follows an injection-limited mechanism. The current in the high-conducting state conforms a bulk-dominated mechanism, namely, space-charge limited conduction with an exponential distribution of traps. The bistability has an associated memory phenomenon. The devices exhibit read-only and random-access memory applications for several hours.

}, doi = {10.1063/1.2358946}, author = {Rath, Arup Kumar and Sahu, Satyajit and Pal, Amlan J.} } @article { ISI:000238030200026, title = {Electrochemical organization of monolayer protected gold nanoclusters on single-walled carbon nanotubes: significantly enhanced double layer capacitance}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {6}, number = {5}, year = {2006}, month = {MAY}, pages = {1387-1391}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

This paper reports a novel electrochemical route for anchoring monolayer protected gold nanoclusters (size 8 +/- 0.2 nm) on single-walled carbon nanotube bundles, resulting in the formation of hybrid materials. Monolayer protected gold nanoclusters prepared by modified Brust synthesis route were organized on SWNT bundles by cycling-the potential in dichloromethane between -1 to +1 V at a scan rate of 50 mV/s. Monolayer protected nanoclusters in electrolyte solutions possess ionic space charge around them (double layer charging), making them suitable for organization on nanotube bundles, by tuning the electrostatic interactions. More significantly, analysis of the double layer capacitance of these hybrid materials shows almost ten times increase in capacitance compared to that of bare SWNT bundles. We believe that these hybrid materials are potentially useful in nanoelectronics.

}, keywords = {double layer capacitance, double layer charging, hybrid materials, monolayer protected gold nanoclusters, single-walled carbon nanotubes}, issn = {1533-4880}, doi = {10.1166/jnn.2006.323}, author = {Mahima, Subhramanyam and Chaki, N. K. and Sharma, J. and Kakade, Bhalchandra A. and Pasricha, R. and Rao, A. M. and Vijayamohanan, K.} } @article { ISI:000242601000036, title = {Electron transfer behavior of monolayer protected nanoclusters and nanowires of silver and gold}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {6}, number = {11}, year = {2006}, note = {International Conference on Nanoscience and Nanotechnology, Gwangju Inst Sci \& Technol, Gwangju, SOUTH KOREA, NOV 10-12, 2005}, month = {NOV}, pages = {3464-3469}, publisher = {Gwangju Jeonnam Nano Technol Union}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Understanding the electron transfer behavior of nanometer sized, both metallic and semiconducting particles and wires is important due to the fundamental interest in size and shape dependent electronic properties and also because of its applications in nano-electronic devices like single electron transistors and molecular switches. Monolayer protected nanoclusters enable one simple and elegant method of synthesis of these types of metallic and semiconducting materials using interfacial chemistry as has been successfully used in several applications ranging from catalysis to molecular electronics. The success of this type of nanostructured materials is due in part to the well known protecting/stabilizing action of the ligands (also known as surface passivating/capping agents), which facilitate the synthesis and processing of these hydrophobic colloids in solution form. The present article discusses the electron transfer behavior of silver nanowires and nanoparticles with varied sizes. In particular, we have investigated the electrochemical properties of silver nanowires (diameter 70 nm, length several micrometers) and compared with the behavior of similar relatively larger sized nanoparticles (size 40 nm). A critical analysis of the redox behavior of silver nanowires and nanoparticles is presented in aqueous medium under various electrolytic conditions along with a comparison of analogous properties of smaller sized (2-7 nm) silver and gold nanoclusters.

}, keywords = {cyclic voltammetry, nanoclusters/nanoparticles, Nanowires}, issn = {1533-4880}, doi = {10.1166/jnn.2006.035}, author = {Sharma, Jadab and Vivek, J. P. and Vijayamohanan, Kunjukrishna P.} } @article { ISI:000237937900022, title = {Enantioselective synthesis of (-)-cytoxazone and (+)-epi-cytoxazone, novel cytokine modulators via sharpless asymmetric epoxidation and L-proline catalyzed mannich reaction}, journal = {Tetrahedron}, volume = {62}, number = {24}, year = {2006}, month = {JUN}, pages = {5756-5762}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and efficient enantioselective synthesis of (-)-cytoxazone and its stereoisomer (+)-epi-cytoxazone, novel cytokine modulators, has been described with good yield and enantioselectivity. Ti-catalyzed Sharpless asymmetric epoxidation of allyl alcohol and L-proline catalyzed three-component Mannich reaction constitute the key steps in introducing stereogenicity into the molecule. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {aminohydroxylation, Asymmetric synthesis, epoxidation, Mannich reaction, Oxidation, Ozonolysis}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.03.079}, author = {Paraskar, Abhimanyu S. and Sudalai, Arumugam} } @article { ISI:000239522700020, title = {Enantioselective synthesis of (S,S)-ethambutol using proline-catalyzed asymmetric alpha-aminooxylation and alpha-amination}, journal = {Tetrahedron-Asymmetry}, volume = {17}, number = {11}, year = {2006}, month = {JUL}, pages = {1738-1742}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient enantioselective synthesis of (S,S)-ethambutol, a tuberculostatic antibiotic, has been achieved in 99\% ee via both proline-catalyzed alpha-aminooxylation and alpha-amination of n-butyraldehyde as the key step. (c) 2006 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2006.06.011}, author = {Kotkar, Shriram P. and Sudalai, Arumugam} } @article { ISI:000239179300033, title = {Enantioselective synthesis of (+)-(S,S)-reboxetine}, journal = {Synlett}, number = {11}, year = {2006}, month = {JUL}, pages = {1771-1773}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

An efficient enantioselective synthesis leading directly to (+)-(S,S)-reboxetine has been described from commercially available trans-cinnammyl bromide using Sharpless asymmetric dihydroxylation as the key step.

}, keywords = {coupling, Dihydroxylation, Hydrogenation, reboxetine, trans-cinnamyl bromide}, issn = {0936-5214}, doi = {10.1055/s-2006-944210}, author = {Siddiqui, Shafi A. and Narkhede, Umesh C. and Lahoti, Rajgopal J. and Srinivasan, Kumar V.} } @article {42468, title = {Engaging zwitterions in carbon-carbon and carbon-nitrogen bond- forming reactions: a promising synthetic strategy}, journal = {Accounts of Chemical Research}, volume = {39}, year = {2006}, month = {JUN}, pages = {520{\textendash}530}, type = {Article}, abstract = {

An Account of carbon-carbon and carbon-nitrogen bond-forming reactions mediated by zwitterions generated by the addition of organic nucleophiles to activated unsaturated systems highlighting their synthetic potential is presented.

}, doi = {10.1021/ar0502026}, author = {Nair, Vijay and Menon, Rajeev S. and Sreekanth, A. R. and Abhilash, N. and Biju, Akkattu T.} } @article { ISI:000241767100009, title = {Eu3+ doped lanthanum oxide nanowhiskers: microwave hydrothermal synthesis, characterization and photoluminescence properties}, journal = {Journal of Physics D-Applied Physics}, volume = {39}, number = {18}, year = {2006}, month = {SEP}, pages = {3974-3977}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

We report here a straightforward and rapid microwave - hydrothermal route providing an easy synthesis of Eu3+ doped La2O3 nanowhiskers. The nanostructured Eu3+ doped La2O3 is characterized by x-ray diffraction studies, scanning electron microscopy and photoluminescence (PL). The emission spectrum shows transitions from the excited 5D(0) state to F-7(J) (J = 0, 1, 2, 3, 4) levels of the Eu3+ ion. The most intense peak around 611 nm is due to the D-5(0) -\> F-7(2) transition, expected from the Judd-Ofelt selection rules. PL spectra measurements demonstrate that the lanthanum oxide nanowhisker shows higher PL intensity.

}, issn = {0022-3727}, doi = {10.1088/0022-3727/39/18/008}, author = {Murugan, A. Vadivel and Viswanath, Annamraju Kasi and Kakade, Bhalchandra A. and Ravi, V. and Saaminathan, V.} } @article { ISI:000241157000039, title = {Evidence for intergranular tunnelling in polyaniline passivated alpha-Fe nanoparticles}, journal = {Nanotechnology}, volume = {17}, number = {18}, year = {2006}, month = {SEP}, pages = {4765-4772}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Nanoparticles are of immense importance both from the fundamental and application points of view. They exhibit quantum size effects which are manifested in their improved magnetic and electric properties. Mechanical attrition by high energy ball milling (HEBM) is a top down process for producing fine particles. However, fineness is associated with high surface area and hence is prone to oxidation which has a detrimental effect on the useful properties of these materials. Passivation of nanoparticles is known to inhibit surface oxidation. At the same time, coating polymer film on inorganic materials modifies the surface properties drastically. In this work a modified set-up consisting of an RF plasma polymerization technique is employed to coat a thin layer of a polymer film on Fe nanoparticles produced by HEBM. Ball-milled particles having different particle size ranges are coated with polyaniline. Their electrical properties are investigated by measuring the dc conductivity in the temperature range 10-300 K. The low temperature dc conductivity (I-V) exhibited nonlinearity. This nonlinearity observed is explained on the basis of the critical path model. There is clear-cut evidence for the occurrence of intergranular tunnelling. The results are presented here in this paper.

}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/18/039}, author = {Sunny, Vijutha and Narayanan, T. N. and Sajeev, U. S. and Joy, Pattayil Alias and Kumar, D. Sakthi and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000242327500019, title = {Factors influencing decomposition of H2O2 over supported Pd catalyst in aqueous medium}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {260}, number = {1-2}, year = {2006}, month = {DEC}, pages = {115-120}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Since H2O2 decomposition can result in selectivity/yield loss in the direct H2O2 synthesis process from H-2 and O-2 over supported Pd catalysts, it is important to have an enhanced understanding about the factors affecting the H2O2 decomposition reaction. Herein, detailed studies have been undertaken to investigate the influence of different factors, such as (a) nature and concentration of acid in reaction medium, (b) nature and concentration of halide in presence and absence of acid in reaction medium, (c) pretreatment procedures and (d) catalyst modification by incorporation of different halides, on the H2O2 decomposition reaction over a 5\% Pd/C catalyst in aqueous medium at 25 degrees C. This study has shown that the H2O2 decomposition activity is profoundly influenced by all the above factors. The effectiveness of the acids in suppressing the H2O2 decomposition activity decreased in the following order: hydroiodic acid \> hydrobromic acid \> hydrochloric acid \>\> acetic acid \> phosphoric acid \> sulfuric acid \> perchloric acid. The ability of the acid to decrease the H2O2 decomposition activity was found to very strongly depend on the nature of its associated anion. Halides, such as iodide, bromide and chloride were particularly effective in suppressing the H2O2 decomposition activity. Oxidation pretreatment of the catalyst was found to strongly suppress its H2O2 decomposition activity, while a reduction treatment was found to promote its activity. A gradual decrease in the H2O2 decomposition activity of the catalyst was observed with each successive usage due to in situ sub-surface oxidation of Pd by H2O2. Halide incorporation either via the reaction medium or prior catalyst modification had a similar qualitative effect on the H2O2 decomposition activity. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {acid, H2O2 decomposition, H2O2 synthesis, halides, Pd catalysts, pretreatment}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.07.009}, author = {Choudhary, Vasant R. and Samanta, C. and Choudhary, Tushar V.} } @article { ISI:000239326400005, title = {Fe-Zn double-metal cyanide complexes as novel, solid transesteritication catalysts}, journal = {Journal of Catalysis}, volume = {241}, number = {1}, year = {2006}, month = {JUL}, pages = {34-44}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Fe-Zn double-metal cyanide complexes are currently used as catalysts for the ring-opening polymerization of epoxides, as well as the coupling of epoxides and CO2 for the production of polycarbonates. We report their novel application as highly efficient solid catalysts for the transesterification reactions of carbonates. The catalysts were prepared from aqueous solutions of ZnCl2 and K4Fe(CN)(6) in the presence of tert-butanol (complexing agent) and tri-block copolymer EO20PO70EO20 (average molecular weight, 5800; co-complexing agent). They were characterized by chemical analysis, XRD, thermal analysis, N-2 adsorption, magnetic susceptibility, SEM, and FTIR, diffuse reflectance UV-visible, EPR, and X-ray photoelectron spectroscopies. Their acidity was determined from the IR spectra of adsorbed pyridine and the temperature-programmed desorption of NH3. Catalyst samples prepared with both complexing and co-complexing agents were found to be more acidic and catalytically active than those prepared without these agents. These catalysts are more active/selective than other solid catalysts hitherto reported. Dimethyl carbonate, for example, could be synthesized with 100\% selectivity and an isolated yield of \>86\% by the reaction of propene carbonate with methanol. The catalysts can be recycled without significant loss in activity. Lewis acidic Zn ions are the possible active sites for the transesterification reaction. (c) 2006 Published by Elsevier Inc.

}, keywords = {cyclic carbonate, Dimethyl carbonate, double metal cyanide Fe-Zn complexes, organic carbonate, transesterification catalyst}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.04.002}, author = {Srivastava, R. and Srinivas, D. and Ratnasamy, P.} } @article { ISI:000236119700015, title = {First study of metal hybrids of boronic acids: second-sphere coordination networks in the structures of 4-carboxyphenylboronic acid with some transition metals}, journal = {Inorganic Chemistry}, volume = {45}, number = {6}, year = {2006}, month = {MAR}, pages = {2400-2402}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Metal-organic hybrids of a boronic acid (4-carboxylphenylboronic acid) with Co(II), Mn(II), and Ni(II) salts have been reported for the first time. In all of the complexes, there is no interaction between the metal and boronic acid through dative bonds. Furthermore, second-sphere coordination, along with water clusters in the form of octamers, was observed in the absence of any other additional ligands. However, in the presence of aza-donor molecules such as 1, 2-bis(4-pyridyl) ethane, metal ions formed coordination polymers with those ligands, replacing the second-sphere coordination.

}, issn = {0020-1669}, doi = {10.1021/ic052100h}, author = {Seethalekshmi, N. and Pedireddi, V. R.} } @article { ISI:000238008900004, title = {Flufenoxuron, an acylurea insect growth regulator, alters development of Tribolium castaneum (Herbst) (Coleoptera :tenebrionidae) by modulating levels of chitin, soluble protein content, and HSP70 and p34(cdc2) in the larval tissues}, journal = {Pesticide Biochemistry and Physiology}, volume = {85}, number = {2}, year = {2006}, month = {JUN}, pages = {84-90}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The effect of sublethal concentrations, 0.00141\% (LC20), 0.00251\% (LC30), and 0.0036\% (LC40) of a dispersible formulation of an acylurea insect growth regulator, flufenoxuron (Cascade) on certain biochemical parameters in the larvae of Tribolium castaneum was investigated. When neonates were fed on diet treated with sublethal concentrations for 24 It, it was observed that at all concentrations tested, there was a significant reduction in chitin content on the 15th day of development. Total soluble protein content at LC20 and LC30 decreased with increasing age of the larvae. At LC20 and LC40 concentrations there was a progressive increase in the protein: chitin ratio as a function of increase in age of the larvae. SDS-PAGE analysis of the larval tissue extracts indicated gross quantitative changes in some of the protein bands (MW 50-97 kDa). Western blot analysis revealed significant increase in the level of HSP70 in the extracts of larvae fed on LC30 treated diet, on the 7th and 10th day of development in the decreasing order. Conversely, a significant decrease in the hyper-phosphorylated form of p34(cdc2) kinase due to flufenoxuron treatment indicating modulation of cell cycle regulation was observed. Thus, sublethal concentrations of flufenoxuron alter expression of developmentally regulated proteins, HSP70 and p34(cdc2) and chitin formation in a stage-specific manner thereby resulting developmental abnormalities in T castaneum. (c) 2005 Elsevier Inc. All rights reserved.

}, keywords = {chitin, Development, flufenoxuron, HSP70, p34(cdc2), phosphotyrosine, sublethal effects, total soluble proteins, Tribolium castaneum}, issn = {0048-3575}, doi = {10.1016/j.pestbp.2005.10.006}, author = {Salokhe, S. and Sarkar, A. and Kulkarni, A. and Mukherjee, Samindra N. and Pal, J. K.} } @article { ISI:000238258000026, title = {Formation of linear polymers with pendant vinyl groups via inclusion complex mediated polymerization of divinyl monomers}, journal = {Journal of the American Chemical Society}, volume = {128}, number = {24}, year = {2006}, month = {JUN}, pages = {7752-7753}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0002-7863}, doi = {10.1021/ja062568z}, author = {Satav, S. S. and Karmalkar, Rohini N. and Kulkarni, M. G. and Mulpuri, Nagaraju and Sastry, G. N.} } @article { ISI:000236648800046, title = {Formation of poly(o-anisidine) coatings on copper from aqueous salicylate solution}, journal = {Surface \& Coatings Technology}, volume = {200}, number = {18-19}, year = {2006}, month = {MAY}, pages = {5557-5565}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Poly(o-anisidine) coatings have been electrosynthesized by using cyclic voltammetry on copper from an aqueous salicylate medium. Cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared spectroscopy, scanning electron microscopy and X-ray photoelectron spectroscopy were used to characterize these coatings, which indicates that the aqueous salicylate solution is a suitable medium for the electrochemical polymerization of o-anisidine on copper substrate. Cyclic voltammetry accompanied by the X-ray photoelectron spectroscopy was used to characterize the surface modifications induced by polarizing the copper substrate in the aqueous salicylate solution (without monomer). It was shown that the polarization of the copper in the aqueous salicylate medium results into the passivation of its surface via the formation of Cu(2)O and/or copper salicylate complex. It was found that the electrochemical polymerization of o-anisidine takes place after the passivation of the copper substrate via fort-nation of Cu(2)O and/or copper salicylate complex and results into the formation of shiny, uniform and strongly adherent poly(o-anisidine). The optical absorption spectroscopy reveals the formation of emraldine salt form of poly(o-anisidine). This study offers an electrochemical polymerization recipe to synthesize strongly adherent poly(o-anisidine) coating on copper from aqueous media for possible use in corrosion protection application. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {conducting polymers, Copper, corrosion protective coatings, cyclic voltammetry, poly(o-anisidine) coatings}, issn = {0257-8972}, doi = {10.1016/j.surfcoat.2005.07.071}, author = {Chaudhari, Sudeshna and Mandale, A. B. and Patil, K. R. and Sainkar, S. R. and Patil, P. P.} } @article {42615, title = {Friction of a slider on a granular layer: non-monotonic thickness dependence and effect of boundary conditions}, journal = {Physical Review E}, volume = {73}, year = {2006}, month = {JAN}, pages = {010301}, type = {Article}, abstract = {

We investigate the effective friction encountered by a mass sliding on a granular layer as a function of bed thickness and boundary roughness conditions. The observed friction has minima for a small number of layers before it increases and saturates to a value that depends on the roughness of the sliding surface. We use an index-matched interstitial liquid to probe the internal motion of the grains with fluorescence imaging in a regime where the liquid has no significant effect on the measured friction. The shear profiles obtained as a function of depth show a decrease in slip near the sliding surface as the layer thickness is increased. We propose that the friction depends on the degree of grain confinement relative to the sliding surfaces.

}, doi = {10.1103/PhysRevE.73.010301}, author = {Siavoshi, Saloome and Orpe, Ashish V. and Kudrollim, Arshad} } @article { ISI:000241519600041, title = {Fungus-mediated biotransformation of amorphous silica in rice husk to nanocrystalline silica}, journal = {Journal of American Chemical Society}, volume = {128}, number = {43}, year = {2006}, month = {NOV}, pages = {14059-14066}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Rice husk is a cheap agro-based waste material, which harbors a substantial amount of silica in the form of amorphous hydrated silica grains. However, there have been no attempts at harnessing the enormous amount of amorphous silica present in rice husk and its room-temperature biotransformation into crystalline silica nanoparticles. In this study, we address this issue and describe how naturally deposited amorphous biosilica in rice husk can be bioleached and simultaneously biotransformed into high value crystalline silica nanoparticles. We show here that the fungus Fusarium oxysporum rapidly biotransforms the naturally occurring amorphous plant biosilica into crystalline silica and leach out silica extracellularly at room temperature in the form of 2-6 nm quasi-spherical, highly crystalline silica nanoparticles capped by stabilizing proteins; that the nanoparticles are released into solution is an advantage of this process with significant application and commercial potential. Calcination of the silica nanoparticles leads to loss of occluded protein and to an apparently porous structure often of cubic morphology. The room-temperature synthesis of oxide nanomaterials using microorganisms starting from potential cheap agro-industrial waste materials is an exciting possibility and could lead to an energy-conserving and economically viable green approach toward the large-scale synthesis of oxide nanomaterials.

}, issn = {0002-7863}, doi = {10.1021/ja062113+}, author = {Bansal, Vipul and Ahmad, Absar and Sastry, Murali} } @article { ISI:000239289800036, title = {Gamma-heteroatom directed stereocontrolled staudinger cycloaddition reaction of vinylketenes and imines}, journal = {Tetrahedron Letters}, volume = {47}, number = {33}, year = {2006}, month = {AUG}, pages = {5993-5996}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Vinylketenes possessing a gamma-heteroatom, on Staudinger cycloaddition reaction with imines gave trans-3-vinyl-beta-lactams in very good yields. The vinyl side chain stereoselectively adopts the Z-configuration in the transition state to stabilize the vinylketene and produces, exclusively, trans-3-vinyl-beta-lactams. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {imines, Staudinger reaction, stereoselective synthesis, vinylketenes}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.05.189}, author = {Shaikh, Aarif L. and Puranik, Vedavati G. and Deshmukh, A. R. A. S.} } @article { ISI:000244926000019, title = {Genetic diversity analysis in Gaultheria fragrantissima wall. (Ericaceae) from the two biodiversity hotspots in India using ISSR markers}, journal = {Current Science}, volume = {91}, number = {12}, year = {2006}, month = {DEC}, pages = {1634-1640}, publisher = {CURRENT SCIENCE ASSN}, type = {Article}, address = {C V RAMAN AVENUE, PO BOX 8005, BANGALORE 560 080, INDIA}, abstract = {

Our study involves Inter Simple Sequence Repeat markers to analyse genetic diversity of an undershrub, Gaultheria fragrantissima Wall. (Ericaceae) from two plant diversity hotspots in India, namely Western Ghats and Northeastern Himalayas. The plants from these two regions show no morphological differences but the total heterozygosity (H-T = 0.505) is high. Furthermore, the average heterozygosity of G. fragrantissima at WG (H-s = 0.433) is higher than that at NE region (H-s, = 0.231). Within population variance is higher (15.56 \%) than among population variance (8.31 \%) as seen in outcrossing plant species. Mantel{\textquoteright}s test shows a strong positive correlation between the genetic and geographic distances. The plants within WG show high gene flow, which may be enough to prevent genetic drift, however, the gene flow in NE population is very low.

}, keywords = {Gaultheria fragrantissima, Genetic diversity, heterozygosity, ISSR markers}, issn = {0011-3891}, author = {Apte, G. S. and Bahulikar, R. A. and Kulkarni, R. S. and Lagu, Meena D. and Kulkarni, B. G. and Suresh, H. S. and Rao, P. S. N. and Gupta, V. S.} } @article { ISI:000236916100016, title = {Green protocol for the synthesis of N-oxides from secondary amines using vanadium silicate molecular sieve catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {248}, number = {1-2}, year = {2006}, month = {APR }, pages = {109-112}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Vanadium silicate molecular sieve catalyst VS-I was found to promote efficiently the oxidation of alpha alpha,alpha{\textquoteright}alpha{\textquoteright}-tetrasubstituted secondary amines with 30\% aqueous hydrogen peroxide as oxidant. In comparison to other catalysts reported to date, this heterogeneous catalyst offers a remarkably simple workup procedure and is reusable without any appreciable loss of activity. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {heterogeneous catalyst, Hydrogen peroxide, N-oxide, VS-1, zeolite}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.12.005}, author = {Phukan, P. and Khisti, R. S. and Sudalai, A.} } @article { ISI:000242130100007, title = {Heterogenized vanadyl cations over modified silica surfaces: a comprehensive understanding toward the structural property and catalytic activity difference over mesoporous and amorphous silica supports}, journal = {Journal of Catalysis}, volume = {244}, number = {1}, year = {2006}, month = {NOV}, pages = {52-64}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Using a postsynthesis grafting method, 3-aminopropyltriethoxysilane (3-APTS) was functionalized over silica gel and mesoporous silica materials like SBA-15 and MCM-41. Vanadyl cations were then immobilized over the functionalized amino groups of the silica samples and used as a catalyst in the liquid-phase oxidation reaction of cyclohexane. Elemental analysis, PXRD, TEM, N-2 adsorption-desorption isotherms, FTIR, C-13 and Si-29 MAS NMR, UV-vis, and EPR techniques were used to characterize the developed materials. Characterization results suggest that the percentage of 3-APTS grafting depends on the number of isolated and genlinal silanol sites of the support material, the solvents used during the grafting reactions, and the sample pretreatment conditions. We found that using toluene as the dispersing medium and Si-MCM-41 as a support provides the maximum amount of amine functionalization, and thereby the highest percentage of vanadium immobilization. Catalytic activity and metal leaching studies show that vanadium-immobilized mesoporous solids are more active and stable than the silica gel-functionalized vanadium catalyst and a framework-substituted V-MCM-41 catalyst. The enhanced activity and stability of the immobilized vanadium catalysts compared with the V-MCM-41 and silica gel samples are attributed to the active metal site isolations, as well as to the spatial restrictions imparted from the concave silica surfaces of the mesoporous solids rather than the convex silica surfaces of the silica gel sample. (c) 2006 Published by Elsevier Inc.

}, keywords = {3-APTS, mesoporous solids, Oxidation, Silica gel, Vanadium}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.08.002}, author = {Shylesh, S. and Singh, A. R.} } @article { ISI:000240365800049, title = {Heteropoly acid supported on titania as solid acid catalyst in alkylation of p-cresol with tert-butanol}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {256}, number = {1-2}, year = {2006}, month = {AUG}, pages = {324-334}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Butylation of p-cresol with tert-butanol was investigated on titania modified with 12-tungstophosphoric acid (TPA/TiO2) catalyst under vapor phase conditions. Catalysts with different TPA loadings (10-25 wt.\%) and calcination temperatures (650-750 degrees C) were prepared by suspending titanium hydroxide in methanol solution of TPA followed by drying and calcination. These catalysts were characterized by surface area, XRD, P-31 MAS NMR, XPS, NH3-TPD, and FTIR pyridine adsorption. XRD results indicated that the presence of TPA retarded the crystallization of titania and stabilized TiO2 in anatase phase. P-31 MAS NMR indicated the presence of TPA in various forms (dispersed, highly fragmented and Keggin intact). These catalysts showed both Bronsted and Lewis acidity, and 20\% TPA on TiO2 calcined at 700 degrees C (from here after words 20\% TT 700) had the highest Bronsted as well as total acidity. Further, the catalytic activities were examined in tert-butylation of p-cresol with tent-butanol. The catalytic activity depended on TPA coverage, and the highest activity corresponded to the monolayer of TPA on titania. The most active catalyst 20\% TT-700 gave 82\% conversion of p-cresol and 89.5\% selectivity towards 2-tert-butyl cresol (TBC), 2,6-di-tert-butyl cresol (DTBC) 7.5\% and cresol-tert-butyl ether (CTBE) 3\% under optimized conditions. The activity was always higher than that of WO3/ZrO2, sulfated zirconia (SZ), USY, H-beta zeolites and montmorillonite K-10 (K-10mont) under similar conditions. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {2, 2-tert-butyl-p-cresol, 6-di-tert-butyl-p-cresol, Alkylation, heteropoly acid, p-Cresol, tert-butanol, titania}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.05.024}, author = {Kumbar, Suresh M. and Shanbhag, G. V. and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000238914002206, title = {Highly acidic phytase from Aspergillus niger NCIM 563 under submerged fermentation}, journal = {FEBS Journal}, volume = {273}, number = {1}, year = {2006}, note = {31st Congress of the Federation-of-European-Biochemical-Societies (FEBS), Istanbul, TURKEY, JUN 24-29, 2006}, month = {JUN}, pages = {301}, publisher = {Federat European Biochem Soc}, type = {Meeting Abstract}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, issn = {1742-464X}, author = {Soni, S. K. and Khire, Jayant Malhar} } @article {43267, title = {High-throughput screening of RNA polymerase inhibitors using a fluorescent UTP analog}, journal = {Journal of Biomolecular Screening}, volume = {11}, year = {2006}, month = {DEC}, pages = {968-976}, abstract = {

RNA polymerase (RNAP) is a well-validated target for the development of antibacterial and antituberculosis agents. Because the purification of large quantities of native RNA polymerase from pathogenic mycobacteria is hazardous and cumbersome, the primary screening was carried out using Escherichia coli RNAP. The authors have developed a high-throughput screening (HTS) assay to screen for novel inhibitors of RNAP. In this assay, a fluorescent analog of UTP, gamma-amino naphthalene sulfonic acid (gamma-AmNS) UTP, was used as one of the nucleotide substrates. Incorporation of UMP in RNA results in the release of gamma-AmNS-PPi, which has higher intrinsic fluorescence than (gamma-AmNS) UTP. The assay was optimized in a 384-well format and used to screen 670,000 compounds at a concentration of 10 mu M. About 0.1\% of the compounds showed more than 60\% inhibition in the primary HTS. All the primary actives tested for dose response using the same assay had an EC50 below 100 mu M. Eighty percent of the primary HTS actives obtained using E. coli RNAP showed comparable activity against Mycobacterium smegmatis RNAP in the conventional radioactive assay. Activity of hits selected for the hit-to-lead optimization was also confirmed against Mycobacterium bovis RNAP which has \> 99\% sequence identity with Mycobacterium tuberculosis RNAP subunits.

}, author = {Bhat, Jyothi and Rane, Rajendra and Solapure, Suresh M. and Sarkar, Dhiman and Sharma, Umender and Harish, M. N. and Lamb, Sarah and Plant, Darren and Alcock, Peter and Peters, Steve and Barde, Shubhada and Roy, Raman K.} } @article { ISI:000241179400014, title = {Hybrid foldamer with unique architecture from conformationally constrained aliphatic-aromatic amino acid conjugate}, journal = {Tetrahedron}, volume = {62}, number = {43}, year = {2006}, month = {OCT}, pages = {10141-10146}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In this paper, we describe the design and synthesis of a novel hybrid foldamer, derived from a conformationally constrained aliphatic-aromatic amino acid conjugate that adopts a well-defined, compact, three-dimensional structure, governed by a combined conformational restriction imposed by the individual amino acids from which the foldamer is composed. Conformational investigations confirmed the prevalence of a unique doubly bent conformation for the foldamer, in both solid and solution states, as evidenced from single crystal X-ray and 2D NOESY studies, respectively. The findings suggest that constrained aliphatic-aromatic amino acid conjugates offer new avenues for the de novo design of hybrid foldamers with distinctive structural architectures. Furthermore, the de novo design strategy disclosed herein has the potential for significantly augmenting the {\textquoteleft}tool-box{\textquoteright} of the modern day peptidominetic chemist, as well as providing a novel approach to the field of rational design. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {Amino acids, Conformation, Foldamer, Peptidomimetics}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.08.032}, author = {Srinivas, Deekonda and Gonnade, Rajesh G. and Ravindranathan, Sapna and Sanjayan, Gangadhar J.} } @article { ISI:000237420200060, title = {Hydrophobic effects are dominant over secondary orbital interactions for a simple Diels-Alder reaction in salt solutions}, journal = {Organic Letters}, volume = {8}, number = {10}, year = {2006}, month = {MAY}, pages = {2199-2202}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The stereoselectivity ratios for a Diels-Alder reaction between cyclopentadiene with methyl trans-crotonate carried out in salt solutions demonstrate the dominance of hydrophobic effects over secondary orbital interactions.

}, issn = {1523-7060}, doi = {10.1021/ol060741q}, author = {Sarma, D. and Kumar, Anil} } @article { ISI:000237820800035, title = {Hydrophobic effects in a simple Diels-Alder reaction in water}, journal = {Tetrahedron Letters}, volume = {47}, number = {23}, year = {2006}, month = {JUN}, pages = {3957-3958}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The endolexo ratio for a simple Diels-Alder reaction carried out in water has been used to argue that hydrophobic effects can dominate the geometries of the transition states. (c) 2006 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.03.093}, author = {Sarma, D. and Pawar, S. S. and Deshpande, Suvarna S. and Kumar, Anil} } @article { ISI:000242010600002, title = {Hydrophobic, solid acid catalysts for production of biofuels and lubricants}, journal = {Applied Catalysis A-General}, volume = {314}, number = {2}, year = {2006}, month = {NOV}, pages = {148-159}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel application of Fe-Zn double-metal cyanide (DMC) complexes as solid catalysts in the preparation of fatty acid alkyl esters (biodiesel/biolubricants) from vegetable oils is reported. The catalysts are hydrophobic (no H2O adsorption at reaction temperatures) and contain only Lewis acidic sites (NH3 and pyridine adsorption). Bronsted acid sites are absent (absence of 1546 and 1639 cm(-1) bands on adsorption of pyridine). Basic sites are also absent (no CO2 adsorption). Unlike the homogeneous or other solid catalysts (like ZnO-Al2O3, for example), the Fe-Zn, DMC catalysts are highly active even for the simultaneous transesterification of triglycerides and esterification of the free fatty acids (FFA) present in unrefined and waste cooking oils as well as non-edible oils. They are also tolerant of water, probably, due to their surface hydrophobicity. A relationship between the transesterification activity and the concentration of strong Lewis acid sites has been observed. Coordinatively unsaturated Zn2+ ions in the structure of the Fe-Zn complex are the probable active sites. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {alcoholysis of vegetable oils, Biodiesel, Biolubricants, double-metal cyanides (DMC), esterification of free fatty acids, fatty acid alkyl esters, fatty acid methyl esters, solid Fe-Zn catalysts, transesterification of vegetable oils}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.08.012}, author = {Sreeprasanth, Pulinthanathu Sree and Srivastava, R. and Srinivas, D. and Ratnasamy, P.} } @article { ISI:000234644600023, title = {Hydrothermal synthesis of MCM-41 using differently manufactured amorphous dioxosilicon sources}, journal = {Materials Letters}, volume = {60}, number = {7}, year = {2006}, month = {APR}, pages = {957-961}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The influence of differently manufactured amorphous dioxosilicon sources such as fumed silica (FS), spray dried precipitated silica (PSI) and flash dried precipitated silica (PS,) on the course of structural development and properties of hydrothermally prepared siliceous MCM-41 phases have been investigated. Powder XRD, N-2 adsorption/desorption and scanning electron microscopy techniques were used for sample characterization. On the basis of results obtained from time dependent study on the progressive development of MCM-41 mesophases, the reactivity trend of dioxosilicon sources observed was as: FS \> PS1 \> PS2. MCM-41 synthesized using least expensive PS2 having less surface area has exhibited thicker pore walls but poor orderness, while MCM-41 prepared from expensive FS having high surface area has thinner pore walls and was well ordered. The extent of contraction caused by calcination, magnitude of the wall thickness and structural stability were found to be dependent on manufacturing process of dioxosilicon sources. The noticeable morphological differences were also observed by variations in the type of dioxosilicon sources used in the hydrothermal synthesis MCM-41 materials. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Characterization, dioxosilicon sources, Hydrothermal synthesis, MCM-41, porosity, Structural stability}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.10.049}, author = {Gaydhankar, T. R. and Samuel, V. and Joshi, P. N.} } @article { ISI:000240369800005, title = {Identification of a respiratory-type nitrate reductase and its role for survival of mycobacterium smegmatis in wayne model}, journal = {Microbial Pathogenesis}, volume = {41}, number = {2-3}, year = {2006}, month = {AUG}, pages = {90-95}, publisher = {ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD}, type = {Article}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

Nitrate reductase (NR) is found to be expressed in certain mycobacterium sp. whose link with the development of persistence is yet to be resolved. The present study demonstrates the action of selective inhibitors on NR as well as in the survival of Mycobacterium smegmatis using Wayne{\textquoteright}s model. During gradual shift down to anaerobic stage in Wayne{\textquoteright}s model, conversion of nitrate to nitrite became apparent in M. smegmatis. More than 97 percent inhibition was observed for the conversion of nitrate to nitrite by azide (0.05 mM) and thiocyanate (20 mM) in both whole-cell as well as its cell-free lysate, respectively. Under identical condition, chlorate (20 mM) inhibited nitrate reduction by 67 and 10 percent, respectively. At these concentrations, neither of azide, thiocyanate nor chlorate had any significant effect on cell growth under aerobic condition. In Wayne{\textquoteright}s culture model, thiocyanate and chlorate inhibited the growth of M. smegmatis by almost 2 logs at the same concentrations whereas azide inhibited by almost 1.75 log when added at the time of inoculation. Exposure of same culture at 96 h after inoculation in Wayne{\textquoteright}s model to these inhibitors showed 1.74, 1.95 and 2.37 log inhibition of viable cells with respect to azide, thiocyanate and chlorate. These findings further indicated that NR inhibitors kill the bacilli at anaerobic stage under the experimental condition mentioned. Metronidazole (MTZ) (2 mM) and Nitrofurantoin (NIT) (0.3 mM) reduced the cell number at both stages by \< 0.7log. They did not have any effect on NR. Altogether, the results clearly indicate that NR-specific inhibitors could become more promising in killing the bacilli at anaerobic stage than the available conventional drugs. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {Mycobacterium smegmatis, nitrate reductase, Wayne model}, issn = {0882-4010}, doi = {10.1016/j.micpath.2006.04.006}, author = {Khan, Arshad and Sarkar, Dhiman} } @article { ISI:000239975900022, title = {In situ optical emission spectroscopic investigations during arc plasma synthesis of iron oxide nanoparticles by thermal plasma}, journal = {IEEE Transactions on Plasma Science}, volume = {34}, number = {4, 1}, year = {2006}, month = {AUG}, pages = {1175-1182}, publisher = {IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC}, type = {Article}, address = {445 HOES LANE, PISCATAWAY, NJ 08855 USA}, abstract = {

Investigations using in situ precursor spectroscopy during the growth of nanoparticles of iron oxide by thermal plasma induced gas phase condensation method have been shown to be useful for correlating the size of nanoparticles with existing plasma parameters. The relative abundance of ionized Fe species inside the plasma plume is seen to directly establish the relation between particle size, arc current, arc length, and ambient pressure of the reacting oxygen gas. The argon plasma from a transferred arc reactor is made to impinge on the anode that is allowed to vaporize and react with oxygen. The spectral line profiles of both Ar and Fe along the plasma column during the synthesis of nanoparticles have been proved to be useful in understanding the growth mechanism. Band intensities of FeO molecular states indicated the inverse relation with particle sizes that have been correlated to the two competitive processes in which energy is released, namely: 1) one involving the radiative transition and 2) the other that of the growth by coagulation. Atomic Boltzmann plots are used for estimating the temperatures of the zones, whereas particle sizes have been inferred using transmission electron microscopic measurements.

}, keywords = {plasma arc device, plasma-materials processing applications, spectroscopy}, issn = {0093-3813}, doi = {10.1109/TPS.2006.878430}, author = {Banerjee, Indrani and Joshi, N. K. and Sahasrabudhe, S. N. and Kulkarni, Naveen V. and Karmakar, Soumen and Pasricha, R. and Ghorui, S. and Tak, Atul K. and Murthy, Shri P. S. S. and Bhoraskar, S. V. and Das, A. K.} } @article { ISI:000240554000009, title = {Ionic liquid promoted facile one-pot synthesis of 1-pyridylimidazo[1,5-a]pyridines from dipyridylketone and aryl aldehydes}, journal = {Synthesis-Stuttgart}, number = {17}, year = {2006}, month = {SEP}, pages = {2849-2854}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A highly efficient one-pot methodology has been developed to synthesize a class of substituted 1-pyridylimidazo[ 1,5-a]pyridines, using Bronsted acidic ionic liquid 1-butylimidazolium tetrafluoroborate, [Hbim]BF4 in excellent isolated yields in the absence of any catalyst. The methodology is characterized by simple work-up procedures along with efficient recovery and recycling of the ionic liquid, which acts as a reaction medium as well as a promoter.

}, keywords = {5-a]pyridines, Aldehyde, ammonium acetate, heterocycles, imidazo[1, ionic liquids}, issn = {0039-7881}, doi = {10.1055/s-2006-942522}, author = {Siddiqui, Shafi A. and Potewar, Taterao M. and Lahoti, Rajgopal J. and Srinivasan, Kumar V.} } @article { ISI:000239793100088, title = {La0.7Sr0.3MnO3 nanoparticles coated with fatty amine}, journal = {Applied Physics Letters}, volume = {89}, number = {2}, year = {2006}, month = {JUL}, pages = {Article No. 023107}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

We report on the synthesis of La0.7Sr0.3MnO3 (LSMO) nanoparticles having perovskite structure and particle size of the order of 30 rim. The process involves citrate-gel synthesis, size filtering, and; surface coating with a shell of octadecyl amine (ODA) using electrostatic interaction-assisted novel chemical route. Magnetic measurements show the Curie temperature of similar to 360 K establishing the desired stoichiometry and phase. Fourier transform infrared-studies bring out. that the amine group of ODA interacts with the LSMO surface. Refluidization yields uniform redispersion of the coated and dried powder. (c) 2006 American Institute of Physics.

}, issn = {0003-6951}, doi = {10.1063/1.2210080}, author = {Rajagopal, Rajashree and Mona, J. and Kale, Sangeeta N. and Bala, Tanushree and Pasricha, Rem and Poddar, P. and Sastry, M. and Bhagavatula L. V. Prasad and Kundaliya, Darshan C. and Ogale, S. B.} } @article { ISI:000237485300010, title = {Ligand-, copper-, and amine-free one-pot synthesis of 2-substituted indoles via Sonogashira coupling 5-endo-dig cyclization}, journal = {Tetrahedron}, volume = {62}, number = {21}, year = {2006}, month = {MAY}, pages = {5109-5115}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Results of the optimized conditions for the one-pot synthesis of 2-substituted indoles via palladium acetate catalyzed tandem Sonogashira coupling 5-endo-dig cyclization at room temperature under ultrasonic irradiation and standard stirred conditions are described. Electron-donating and electron-withdrawing groups present in both Coupling partners were well tolerated under these mild conditions. A copper-, ligand- and amine-free condition is an important feature of this protocol. Significant enhancement of reaction rates was observed for the reactions employing ultrasonic irradiation. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {5-endo-dig cyclization, Indole, synthesis, Ultrasound}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.03.035}, author = {Palimkar, Sanjay S. and Kumar, P. Harish and Lahoti, Rajgopal J. and Srinivasan, Kumar V.} } @article { ISI:000239077500014, title = {Liquid phase alkylation of phenol with 1-octene over large pore zeolites}, journal = {Applied Catalysis A-General}, volume = {309}, number = {1}, year = {2006}, month = {JUL}, pages = {106-114}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A comparative study is presented of the liquid phase alkylation of phenol with 1-octene over different zeolite catalysts: H-beta (BEA(15)), H-mordenite (MOR(11)) and H-USY (FAU(15)). A wide spectrum of monoalkylated products, identified as isomers of phenyl octyl ether (O-alkylate) and octyl phenol (C-alkylate), was formed in the reaction. The reaction was studied in detail over BEA(15), such studies included the influence of process variables such as temperature, reactant mole ratio, catalyst amount and alkali metal (K) poisoning on its performance in the alkylation reaction. A kinetic analysis of the reaction over BEA(15) was also carried out assuming a second order parallel reaction mechanism. The activity of the different catalysts for the reaction followed the order: BEA(15) \> FAU(15) \> MOR(11). The poisoning of BEA(15) with potassium resulted in a decrease in the catalyst activity concomitant with a decrease in the number of strong acid centres in the catalyst. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {1-octene, alkyl phenols, Alkylation, phenol, zeolites}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.04.041}, author = {Wagholikar, Smita and Mayadevi, S. and Sivasanker, S.} } @article {Rai, title = {Liquid phase oxidation of alkanes using Cu/Co-perchlorophthalocyanine immobilized MCM-41 under mild reaction conditions}, journal = {Applied Catalysis A-General}, volume = {297}, number = {2}, year = {2006}, month = {JAN}, pages = {220-230}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

{Amino-functionalized MCM-41 (NH2-MCM-41) was used to immobilize CU/CO-Cl16PC complex, i.e. Cu/Co-AM(PS) for liquid phase oxidation of alkanes under mild reaction conditions. Higher rates of reaction and better catalytic activity values were obtained for Cu/Co-AM(PS) as compared to Cu/Co-Cl16PC grafted on (i) amino-functionalized SiO2 [

}, keywords = {Ceramics, Electron microscopy, electronic materials, X-ray diffraction}, issn = {0272-8842}, doi = {10.1016/j.apcata.2005.09.012}, author = {Karandikar, Prashant R. and Chandwadkar, Asha J. and Agashe, M. and Ramgir, N. S. and Sivasanker, S.} } @article { ISI:000239869200024, title = {Low temperature hydrogenation of tetralin over supported rhodium catalysts in supercritical carbon dioxide solvent}, journal = {Applied Catalysis A-General}, volume = {310}, year = {2006}, month = {AUG}, pages = {194-198}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Hydrogenation of tetralin was studied over supported rhodium catalysts in supercritical carbon dioxide solvent at 333 K. The results were compared with those in an organic solvent and under neat conditions. Higher cis-decalin yield was obtained in supercritical carbon dioxide solvent than under non-supercritical conditions. It was observed that higher hydrogen concentration at the surface in supercritical carbon dioxide solvent led to fast direct hydrogenation of tetralin to cis-decalin; the flipping of the intermediate, octalin, to give trans-decalin could be prevented. (C) 2006 Elsevier B.V. All rights reserved.

}, keywords = {cis-decalin, Hydrogen storage, Hydrogenation, Supercritical carbon dioxide, supported rhodium catalysts, tetralin}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.05.040}, author = {Hiyoshi, Norihito and Mine, Eiichi and Rode, Chandrashekhar V. and Sato, Osamu and Shirai, Masayuki} } @article { ISI:000238717900020, title = {Magnetic properties of NiCuZn ferrites synthesized by oxalate precursor method}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {305}, number = {1}, year = {2006}, month = {OCT}, pages = {110-119}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Ni-Cu-Zn ferrites have been synthesized by employing co-precipitation technique using oxalate precursors. X-ray diffractograms did not show impurity phases, indicating single-phase formation of the ferrites. The diffractograms of oxalate complex decomposed at 650 degrees C show that ferritization is complete up to 650 degrees C. Lattice parameter a (angstrom) was found to decrease with the addition of Ni2+ which is attributed to ionic sizes of Ni2+ (0.69 angstrom), which replaces Cu2+ (0.72 angstrom). From the thermogravimetric studies it is observed that the experimentally observed total mass loss (\%), agrees with theoretically calculated mass loss (\%) indicating maintenance of requisite stoichiometry. Initial permeability (mu(i)) shows increase when Ni2+ is added up to x = 0.15 while for (x \> 0. 15), it decreases. The increase in initial permeability (mu(i)) is attributed to monotonic increase in Ms, and K-1 on addition of Ni2+. However, the microstructure and density (porosity) also influence mu(i) variations. The decrease in pi is attributable to increase of K-1. The composition with density 91.14\% exhibits large mu(i) which also tends to increase with temperature up to 60 degrees C. Thus its usable range extends up to 60 degrees C. This samples has T-c near to 160 degrees C. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {initial permeability, magneticproperties, Magnetization, NiCuZn ferrites, XRD}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2005.11.041}, author = {Ghodake, S. A. and Ghodake, U. R. and Sawant, S. R. and Suryavanshi, S. S. and Bakare, P. P.} } @article { ISI:000236648300008, title = {Mesoporous molecular sieve (MCM-41)-filled sodium alginate hybrid nanocomposite membranes for pervaporation separation of water-isopropanol mixtures}, journal = {Separation of Purification Technology}, volume = {49}, number = {1}, year = {2006}, month = {APR}, pages = {56-63}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Sodium alginate (NaAlg) and the inesoporous molecular sieve (MCM-41)-filled NaAlg nanocomposite membranes have been prepared by solution casting and crosslinked with glutaraldehyde. Pervaporation performance of the MCM-41-filled NaAlg membranes has been tested and compared with plain NaAlg membrane for dehydrating isopropanol at 30 degrees C. In the studied feed composition range of 10-50 mass\% of water, 20 mass\% MCM-41-loaded NaAlg membrane gave the highest selectivity ranging between 29,991 and 3332 in the range of feed water compositions of 10-50 mass\%. Flux for the plain NaAlg membrane ranged between 0.067 and 0.340 kg/(m(2)h), while for 20 mass\% MCM-41-filled NaAlg membrane, flux increased to 0.110 and 0.555 kg/(m(2)h). To the best of our knowledge, this is the first study reported on the membrane forming properties of an admixed hybrid composite of a mesoporous molecular sieve (MCM-41) with NaAlg used in dehydration of isopropanol, yielding high selectivity to water at higher loadings of the molecular sieve as a filler. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {flux and selectivity, nanocomposite membranes, pervaporation, sodium alginate, water-isopropanol}, issn = {1383-5866}, doi = {10.1016/j.seppur.2005.08.006}, author = {Bhat, S. D. and Naidu, B. V. K. and Shanbhag, G. and Halligudi, Shivaraj B. and Sairam, M. and Aminabhavi, Tejraj M.} } @article {31}, title = {Metal-induced reductive ring opening of 1,2,4,5-tetrazines: Three resulting coordination alternatives, including the new non-innocent 1,2-diiminohydrazido(2-) bridging ligand system}, journal = {Inorganic Chemistry}, volume = {45}, number = {3}, year = {2006}, month = {FEB }, pages = {1316-1325}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

{Reaction of 3,6-diaryl-1,2,4,5-tetrazines (aryl = R = phenyl, 2-furyl or 2-thienyl) with 2 equiv of Ru(acac)(2)(CH3-CN)(2) results in reductive tetrazine ring opening to yield diruthenium complexes [

}, keywords = {crystal engineering, hydrogen bonds, molecular, recocynition, Self-assembly, supramolecular chemistry}, issn = {0947-6539}, doi = {10.1021/ic051532p}, author = {Maji, Somnath and Sarkar, B. and Patra, S. and Fiedler, Jan and Mobin, Shaikh M. and Puranik, Vedavati G. and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @article { ISI:000242621800023, title = {Molecular interactions between the specialist herbivore Manduca sexta (Lepidoptera, Sphingidae) and its natural host Nicotiana attenuata. VII. changes in the plant{\textquoteright}s proteome}, journal = {Plant Physiology}, volume = {142}, number = {4}, year = {2006}, month = {DEC}, pages = {1621-1641}, publisher = {AMER SOC PLANT BIOLOGISTS}, type = {Article}, address = {15501 MONONA DRIVE, ROCKVILLE, MD 20855 USA}, abstract = {

When Manduca sexta attacks Nicotiana attenuata, fatty acid-amino acid conjugates (FACs) in the larvae{\textquoteright}s oral secretions (OS) are introduced into feeding wounds. These FACs trigger a transcriptional response that is similar to the response induced by insect damage. Using two-dimensional gel electrophoresis, matrix-assisted laser desorption ionization-time of flight, and liquid chromatography-tandem mass spectrometry, we characterized the proteins in phenolic extracts and in a nuclear fraction of leaves elicited by larval attack, and/or in leaves wounded and treated with OS, FAC-free OS, and synthetic FACs. Phenolic extracts yielded approximately 600 protein spots, many of which were altered by elicitation, whereas nuclear protein fractions yielded approximately 100 spots, most of which were unchanged by elicitation. Reproducible elicitor-induced changes in 90 spots were characterized. In general, proteins that increased were involved in primary metabolism, defense, and transcriptional and translational regulation; those that decreased were involved in photosynthesis. Like the transcriptional defense responses, proteomic changes were strongly elicited by the FACs in OS. A semiquantitative reverse transcription-PCR approach based on peptide sequences was used to compare transcript and protein accumulation patterns for 17 candidate proteins. In six cases the patterns of elicited transcript accumulation were consistent with those of elicited protein accumulation. Functional analysis of one of the identified proteins involved in photosynthesis, RuBPCase activase, was accomplished by virus-induced gene silencing. Plants with decreased levels of RuBPCase activase protein had reduced photosynthetic rates and RuBPCase activity, and less biomass, responses consistent with those of herbivore-attacked plants. We conclude that the response of the plant{\textquoteright}s proteome to herbivore elicitation is complex, and integrated transcriptome-proteome-metabolome analysis is required to fully understand this ubiquitous ecological interaction.

}, issn = {0032-0889}, doi = {10.1104/pp.106.088781}, author = {Giri, Ashok P. and Wuensche, Hendrik and Mitra, Sirsha Sribas and Zavala, Jorge A. and Muck, Alexander and Svatos, Ales and Baldwin, Ian T.} } @article { ISI:000238629400001, title = {NaIO4/KI/NaCl: a new reagent system for iodination of activated aromatics through in situ generation of iodine monochloride}, journal = {Tetrahedron Letters}, volume = {47}, number = {28}, year = {2006}, month = {JUL}, pages = {4793-4796}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new reagent system consisting of NaIO4/KI/NaCl in aq AcOH has been found to be effective in iodinating a variety of activated aromatic substrates via in situ-generated iodine monochloride, to furnish iodoaromatics in excellent yields. This iodination procedure has been applied successfully for a cost-effective synthesis of 3,3{\textquoteright}-diaminobenzidine, a key intermediate for preparing proton conducting membranes for fuel cell applications, with high yield and a purity of 99.7\%. (c) 2006 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.05.062}, author = {Emmanuvel, Lourdusamy and Shukla, Ravi Kant and Sudalai, Arumugam and Gurunath, Suryavanshi and Sivaram, Swaminathan} } @article { ISI:000238312300051, title = {NaIO4-mediated selective oxidation of alkylarenes and benzylic bromides/alcohols to carbonyl derivatives using water as solvent}, journal = {Journal of Organic Chemistry}, volume = {71}, number = {13}, year = {2006}, month = {JUN}, pages = {5043-5046}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new transition-metal-free, sodium metaperiodate (NaIO4)-mediated direct oxidation of methylarenes and benzylic bromides to the corresponding aromatic carboxylic acids is described. Under the same reaction conditions, benzylic alcohols are selectively oxidized to afford the corresponding aldehydes in good yields without undergoing overoxidation. Unprecedentedly, oxidation of benzyl bromide, toluene, or benzyl alcohol with NaIO4 underwent nuclear bromination followed by oxidation to give 4-bromobenzoic acid in 60-79\% yields.

}, issn = {0022-3263}, doi = {10.1021/jo0606305}, author = {Ali Shaikh, Tanveer Mahammad and Emmanuvel, Lourdusamy and Sudalai, Arumugam} } @article { ISI:000236913600006, title = {Natural kaolinitic clay: a remarkable catalyst for highly regioselective chlorination of arenes with Cl-2 or SO2Cl2}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {45}, number = {4}, year = {2006}, month = {APR}, pages = {972-975}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Natural kaolinitic clay containing transition metals such as Fe and Ti in its lattice has been found to exhibit unusual regioselectivity in the liquid-phase chlorination of arenes with either Cl-2 or SO2Cl2 as the chlorinating agent para-Chlorinated products are predominant for most of the substrates with an exceptional case of ortho-selectivity for the chlorination of aniline.

}, keywords = {Aniline, chlorination, chlorine, ortho-chloroaniline, sulfuryl chloride}, issn = {0376-4699}, author = {Jayachandran, B. and Phukan, P. and Daniel, Thomas and Sudalai, A.} } @article { ISI:000241320000002, title = {Nature and mode of addition of phosphate precursor in the synthesis of aluminum phosphate and its influence on methanol dehydration to dimethyl ether}, journal = {Catalysis Communications}, volume = {7}, number = {10}, year = {2006}, month = {OCT}, pages = {745-751}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Four aluminum phosphate catalysts with Al/P = 1 were prepared by precipitation of mixture of aluminum nitrate and phosphate precursor (either phosphoric acid or diammonium hydrogen phosphate) with NH3 and precipitation of aluminum nitrate with NH3 followed by impregnation of phosphate precursor (either phosphoric acid or diammonium hydrogen phosphate). The catalysts were characterized, using different physico-chemical methods viz., BET-S.A., XRD, FT-IR, and NH3-TPD. Al-27 and P-31 MAS NMR spectroscopy was used to characterize selected catalysts in order to find out the presence of Al and P environments. The catalytic conversion of methanol to dimethyl ether was conducted over these catalysts in a temperature range of 448-548 K at atmospheric pressure. AIPO(4) prepared by precipitating the mixture of aluminum nitrate and (NH4)(2)HPO4 with aq. NH3 generated more number of moderate acid sites and showed higher methanol dehydration activity with 100\% selectivity to DME at 548 K. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Al-27 and P-31 MAS NMR, aluminum phosphate, dehydration, dimethyl ether, Methanol, NH3-TPD}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.02.025}, author = {Kumar, V. Siva and Padmasri, A. H. and Satyanarayana, C. V. V. and Reddy, I. Ajit Kumar and Raju, B. David and Rao, K. S. Rama} } @article { ISI:000239218800010, title = {Novel series of oligomers from 4-aminomethyl-tetrahydrofuran-2-carboxylates with 2,4-cis and 2,4-trans stereochemistry}, journal = {Tetrahedron}, volume = {62}, number = {33}, year = {2006}, month = {AUG}, pages = {7718-7725}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Two tetrahydrofuran-based y-amino acids [2,4-cis and 2,4-trans] were subjected to iterative peptide-coupling procedures to afford dimeric, tetrameric and hexameric carbopeptoids in good yield. These homooligomers were prepared for secondary structural study-to ascertain the conformational preference inherent in the monomer units. The L-xylo oligomers were protected with triethylsilyl ethers to increase the range of solvents suitable for structural investigation. Initial secondary structure data indicate the presence of hydrogen-bonded conformations in the L-ribo series. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {Foldamers, gamma amino acids, Peptidomimetics, sugar amino acids}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.05.067}, author = {Edwards, Alison A. and Sanjayan, Gangadharar J. and Hachisu, Shuji and Tranter, George E. and Fleet, George W. J.} } @article { ISI:000242519200007, title = {Optically transparent magnetic nanocomposites based on encapsulated Fe3O4 nanoparticles in a sol-gel silica network}, journal = {Nanotechnology}, volume = {17}, number = {22}, year = {2006}, month = {NOV}, pages = {5565-5572}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Composite Fe3O4-SiO2 materials were prepared by the sol-gel method with tetraethoxysilane and aqueous-based Fe3O4 ferrofluids as precursors. The monoliths obtained were crack free and showed both optical and magnetic properties. The structural properties were determined by infrared spectroscopy, x-ray diffractometry and transmission electron microscopy. Fe3O4 particles of 20 nm size lie within the pores of the matrix without any strong Si-O-Fe bonding. The well established silica network provides effective confinement to these nanoparticles. The composites were transparent in the 600-800 nm regime and the field dependent magnetization curves suggest that the composite exhibits superparamagnetic characteristics.

}, issn = {0957-4484}, doi = {10.1088/0957-4484/17/22/007}, author = {Thomas, Senoy and Sakthikumar, D. and Joy, Pattayil Alias and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000239878700022, title = {Optimization of anaerobically digested distillery molasses spent wash decolorization using soil as inoculum in the absence of additional carbon and nitrogen source}, journal = {Bioresource Technology}, volume = {97}, number = {16}, year = {2006}, month = {NOV}, pages = {2131-2135}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The aim of this study was to achieve maximum decolorization of molasses spent wash (MSW) in absence of any additional carbon or nitrogen source using soil as inoculum. Soil samples were collected from the MSW disposal site. Colored soil samples exhibited higher pH, sugar and protein as compare to less colored samples. A decolorization of 69\% was obtained using 10\% (w/v) soil and 12.5\% (v/v) MSW after 7 days incubation. Optimized parameters including days-6 days, pH-6, MSW-12.5\% and soil concentration-40\%, were obtained for maximum decolorization. A decolorization of 81\% was achieved using 10\% soil and 12.5\% MSW after 18 days incubation in absence of any media supplement. Nearly 12\% reduction in decolorization activity of the soil sample was observed over a period of 12 months when stored at 6 degrees C. It could be concluded that the decolorization of MSW might be achieved using soil as inoculum without addition of chemical amendments. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Decolorization, melanoidin, molasses spent wash (MSW), Optimization, soil}, issn = {0960-8524}, doi = {10.1016/j.biortech.2005.10.011}, author = {Adikane, H. V. and Dange, M. N. and Selvakumari, K.} } @article { ISI:000237909100023, title = {Organic dye molecules as reducing agent for the synthesis of electroactive gold nanoplates}, journal = {Journal of Colloid and Interface Science}, volume = {298}, number = {2}, year = {2006}, month = {JUN}, pages = {679-684}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Highly crystalline, hexagonal and triangular nanoplates of gold are synthesized in high yield by a new wet chemical method using multifunctional molecules. Bismarck brown R (BBR) and Bismarck brown Y (BBY). This method involves a simple approach by keeping a mixture of aqueous HAuCl(4) solution and BBR/BBY solution in presence of poly(vinyl pyrrolidone) for 24 h. These nanostructures show unprecedented electrochemical properties exhibiting Surface confinement effect. The UV-visible (UV-vis) spectrum shows certain distinct features with absorptions at 300, 400,and 650 nm extending up to the near infrared region. Selected area electron diffraction patterns of these nanoparticles show highly oriented (111) crystal facets. X-ray diffraction analysis also confirms the Predominant orientation in the (111) crystal planes with lattice constant similar to 4.07 angstrom of face-centered-cubic (fcc) gold. X-ray photoelectron (XP) and Fourier transform infrared (FTIR) spectroscopic analysis shows the presence of a fraction of reducing molecules as surface passivating agent either in the unreacted molecular state or as a mixture of reacted and unreacted product which probably undergoes charge transfer with gold nanocrystals giving absorption at similar to 300 nm. (c) 2005 Elsevier Inc. All rights reserved.

}, keywords = {Bismarck brown, cyclic voltammetry, gold nanoplates, poly(vinyl pyrrolidone), surface plasmon resonance}, issn = {0021-9797}, doi = {10.1016/j.jcis.2005.12.048}, author = {Sharma, Jadab and Vijayamohanan, Kunjukrishna P.} } @article { ISI:000239869200010, title = {Organosilanesulfonic acid-functionalized Zr-TMS catalysts: synthesis, characterization and catalytic applications in condensation reactions}, journal = {Applied Catalysis A-General}, volume = {310}, year = {2006}, month = {AUG}, pages = {79-90}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Organosilanesulfonic acid (-Si-R3S-R4SO3H, OSA)-functionalized mesoporous Zr-TMS (Zr-TMS-Si-R3S-R4SO3H, Zr-TMS-OSA) was synthesized either by post-synthetic modification of Zr-TMS (zirconia-based transition metal oxide mesoporous molecular sieves) with 3-mercaptopropyltrimethoxysilane (3-MPTS) and further with 1,4-butanesultone (1,4-BS) or by in situ one-pot synthesis procedure. A number of physico-chemical characterization techniques have been used to show that the organosilanesulfonic acid groups were anchored on to the walls of Zr-TMS. MCM-41-Si-R3S-R4SO3H-20 (MCM-41-OSA-20) was also prepared by post-synthesis procedure for comparison. Physico-chemical properties of in situ made A-Zr-OSA-20, Zr-TMS-SO3H-20 and MCM-41-OSA-20 were compared with Zr-TMS-OSA catalysts. The catalytic activity of the materials was tested in liquid phase condensation of aniline with p-formaldehyde to 4,4{\textquoteright}-diaminodiphenylmethane (4,4{\textquoteright}-DADPM). Results showed that Zr-TMS-OSA catalysts were more active than Zr-TMS-SO3H-20, MCM-41-OSA-20 and A-Zr-OSA-20 and more selective than Zr-TMS-SO3H-20 and A-Zr-OSA-20 catalysts. (C) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Acid catalyst, condensation of aniline, mesoporous ZrO2, organic functionalization, organosilanesulfonic acid}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.05.024}, author = {Chidambaram, M. and Venkatesan, C. and Singh, A. P.} } @article { ISI:000240352900023, title = {Ossification: a new approach to immobilize metal complex catalysts - applications to carbonylation and Suzuki coupling reactions}, journal = {Journal of Catalysis}, volume = {242}, number = {1}, year = {2006}, month = {AUG}, pages = {231-238}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

A simple approach for immobilization of transition metal complexes is reported here based on the transformation of the complex into its intrinsically insoluble counterpart, thus generating solid molecular catalysts. This approach that we call {\textquoteleft}{\textquoteleft}ossification{\textquoteright}{\textquoteright} is based on a principle, in which the water-soluble analogues of the metal complexes are precipitated out from aqueous solutions as insoluble ionic ensembles having catalytically active metal-centered coordination environments and robust framework. The approach has been illustrated for I{\textquoteright}d complex catalyzed carbonylation and Suzuki coupling reactions. {\textquoteleft}{\textquoteleft}Ossification{\textquoteright}{\textquoteright} was found to be an economically and environmentally attractive alternative to other exotic immobilization methodologies. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {Carbonylation, Heterogeneous catalysts, Immobilization, ossification, Palladium complex, Suzuki coupling}, issn = {0021-9517}, doi = {10.1016/j.jcat.2006.05.032}, author = {Sarkar, Bibhas R. and Chaudhari, Raghunath V.} } @article { ISI:000241306300020, title = {Oxidation of ethyl benzene and diphenyl methane over ordered mesoporous M-MCM-41 (M = Ti, V, Cr): synthesis, characterization and structure-activity correlations}, journal = {Microporous and Mesoporous Materials}, volume = {95}, number = {1-3}, year = {2006}, month = {OCT}, pages = {154-163}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Transition metals (M = Ti, V, Cr) were incorporated into the MCM-41 framework by surfactant-assisted direct hydrothermal (DHT) methods and were characterized in detail by XRD, N-2 adsorption-desorption, TG-DTG/DTA, SEM/TEM, DR UV-Vis, XPS and EPR. The structural regularity as well as the textural properties of the M-MCM-41 materials was confirmed by XRD, TEM and adsorption-desorption techniques. Nature of metal species and the percentage of framework as well as extra framework metal sites in the MCM-41 matrix are discussed in detail by various spectroscopic techniques. The catalytic activity as well as the selectivity of the M-MCM-41 catalysts were explored in the one-step liquid-phase oxidation reaction of ethyl benzene and diphenyl methane. Reaction data showed that the oxidation activity is more when H2O2 was used an oxidant, acetonitrile as solvent and V-MCM-41 as catalyst. However, the selectivity towards the desired keto derivatives (ethyl benzene to acetophenone and diphenyl methane to benzophenone) follows the order, Ti-MCM-41 \> V-MCM-41 \> Cr-MCM-41. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {diphenyl methane, Ethyl benzene, MCM-41, Oxidation}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.04.018}, author = {Jha, Ratnesh Kumar and Shylesh, S. and Bhoware, Shrikant S. and Singh, A. P.} } @article { ISI:000242775600009, title = {Oxovanadium(IV) complex of 2-(alpha-hydroxyethyl)benzimidazole covalently bonded to chloromethylated polystyrene for oxidation of benzoin}, journal = {Applied Catalysis A-General}, volume = {315}, year = {2006}, month = {NOV}, pages = {74-82}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Vanadyl sulphate reacts with 2-(alpha-hydroxyethyl)benzimidazole covalently bonded to chloromethylated polystyrene (PS-Hhebmz) cross-linked with 5\% divinyl benzene to give PS-[VO(hebmZ)(2)]. Characterisation of the catalyst was carried out by IR, electronic and EPR spectroscopic studies, thermogravimetry, scanning electron micrographs and elemental analyses. Catalytic potential of the complex was tested for the oxidation of benzoin using tert-butyl hydroperoxide (TBHP) as an oxidant in methanol where benzil, methylbenzoate, benzoic acid and dimethylacetal were obtained as products. Various parameters such as different solvents and concentration of the substrate as well as oxidant have been taken into consideration for the maximum oxidation of the benzoin. Under optimised reaction conditions, a maximum of 98.9\% conversion of the benzoin was achieved after 6 h of reaction time where selectivity of the obtained reaction products varied in the order: methylbenzoate (48.5\%) \> benzil (19.5\%) \> dimethylacetal (17.1\%) \> benzoic acid (11.5\%). Neat complex was also prepared to compare its catalytic property with polymer-anchored one. EPR spectra of neat and polymer anchored catalyst are characteristics of V(IV) complexes with typical axial pattern and possible square pyramidal geometry. The identical EPR spectral patterns of both freshly prepared and recovered anchored catalysts indicate that the complex is stable and the coordination environment is retained at the end of the catalytic reaction. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {2-(alpha-hydroxyethyl)benzimidazole, oxidation of benzoin, polymer-anchored complex, Polystyrene, vanadium(IV) complex}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.09.003}, author = {Maurya, Mannar R. and Sikarwar, Sweta and Manikandan, Palanichamy} } @article { ISI:000237158200003, title = {Phase evolution of NiTiO3 prepared by coprecipitation method}, journal = {Materials Letters}, volume = {60}, number = {15}, year = {2006}, month = {JUL}, pages = {1791-1792}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple coprecipitation technique was used for the preparation of NiTiO3 powders. Ammonium carbonate solution was added to a solution mixture containing stoichiometric amounts of Ni(NO3)(2) and TiOCl2 to precipitate nickel as carbonate and titanium as hydroxide under basic conditions. The precipitate was calcined at different temperatures ranging from 100 to 800 degrees C and phase evolution of NiTiO3 was investigated by X-ray diffraction (XRD) studies. It is observed that nickel titanate was formed at 750 degrees C. For comparison, NiTiO3 was also prepared by standard ceramic process. Particle size and morphology was studied by transmission electron microscopy (TEM). (c) 2005 Elsevier B.V. All fights reserved.

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, NiTiO3, Oxides, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.12.023}, author = {Murugan, A. Vadivel and Samuel, V. and Navale, S. C. and Ravi, V.} } @article {32}, title = {Phenol tert-butylation over zirconia-supported 12-molybdophosphoric acid catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {247}, number = {1-2}, year = {2006}, month = {MAR}, pages = {162-170}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The alkylation of phenol with tert-butanol was investigated using zirconia-supported 12-molybdophosphoric acid (MPA) as catalyst. The catalysts with different MPA loading (5-25 wt.\% calcined at 700 degrees C) and calcination temperature (15 wt.\% calcined from 500 to 750 degrees C) were prepared by suspending zirconium oxyhydroxide in methanol solution of MPA followed by drying and calcination. These catalysts were characterized by X-ray diffraction and (31)p MAS NMR spectroscopy measurements. The XRD results indicated that MPA stabilizes the tetragonal phase of zirconia. (31)p MAS NMR spectra showed the presence of three types of phosphorous species, phosphomolybdate in interaction with zirconia, decomposition product of MFPA and an unidentified species. IFTIR pyridine adsorption on 15\% MPA catalyst calcined at different temperatures showed the presence of both Bronsted and Lewis acidity and the catalyst calcined at 700 degrees C showed the highest relative Bronsted acidity. Under the reaction conditions of 140 degrees C, tert-butanol/phenol molar ratio of 2 and LHSV of 4 h(-1), the phenol conversion was 80.6\% at 2 h (selectivity to 2-TBP 11.5\%, 2,4-DTBP 55.2\%, and 4-TBP 25.7\%), which decreased slowly with time and at 31 h, it was 58.5\% (selectivity to 2-TBP 15.2\%, 2,4-DTBP 41.6\%, and 4-TBP 38.4\%). The major reason for the catalyst deactivation was the reduction and leaching of MPA from the catalyst surface. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {12-molybdophosphoric acid, phenol, tert-butylation, Zirconia}, issn = {1381-1169}, doi = {10.1016/j.molcata.2005.11.043}, author = {Devassy, Biju M. and Shanbhag, G.V. and Halligudi, S.B.} } @article { ISI:000239458500013, title = {Photo-bio-degradability of agro waste and ethylene-propylene copolymers composites under abiotic and biotic environments}, journal = {Journal of Polymers and the Environment}, volume = {14}, number = {2}, year = {2006}, month = {APR}, pages = {203-212}, publisher = {SPRINGER/PLENUM PUBLISHERS}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Composites were prepared by two methods, (i) graft copolymerization (GFC) of isotactic polypropylene (PP) with maliec anhydride, (MAH) followed by esterification with coir fiber and (ii) by direct reactive mixing (DFC) of polypropylene (PP) and ethylene-propylene (EP) copolymers with MAH and peroxide with coir fiber. These composites, after molding in films (5 x 5 cm, - 100 mu m thickness) were examined for susceptibility to biological attack by measuring the percentage weight loss in compost upto 6 months, periodically, and fungal colonization on surface of the samples, when kept as sole carbon source for the growth of Aspergillus niger in culture medium upto 40 days. Photodegradation was evaluated by monitoring the variations in FT-IR spectrum and crack formation after successive treatment with UV light (\>= 290 nm) for 0, 20, 50 and 100 h at 60 C in the presence of air. Specimens of virgin PP were taken as a reference during all period of photo and biodegradation studies. Significant changes were observed depending on the preparation methods during photodegradation and biodisintegration of composites. DFCs samples were disintegrated faster than GFCs during the composting whereas, in culture, GFCs were covered highly in well uniform way by fungi. It was observed that photo-oxidative ageing directly enhanced the biodegradability of composites as the increase in fungal growth rate and decrease in weight during composting were found. It was concluded that extent of compatibilization had a profound effect on photo-oxidation and biodisintegration of composite material; consequently ester bonds were main units during fungal consumption. Composition of monomers in copolymers was also showing significant effect on the degradability which decreased with increasing content of ethylene in ethylene-propylene (EP) copolymers.

}, keywords = {Biodegradation, biodisintegration and composting, composites, ethylene-propylene copolymers, photo-degradation}, issn = {1566-2543}, doi = {10.1007/s10924-006-0012-9}, author = {Kumar, A. Pratheep and Pandey, Jitendra K. and Kumar, Bijendra and Singh, R. P.} } @article { ISI:000240680300119, title = {Photoluminescence studies of Eu3+ doped Y2O3 nanophosphor prepared by microwave hydrothermal method}, journal = {Applied Physics Letters}, volume = {89}, number = {12}, year = {2006}, month = {SEP}, pages = {123120}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

In this letter, the authors report the photoluminescence studies of Eu3+ doped Y2O3 nanorods, which have been synthesized by rapid microwave hydrothermal route within 6 min. The nanostructured Eu3+ doped Y2O3 is characterized by x-ray diffraction, transmission electron microscopy, and photoluminescence. The emission spectrum shows transitions from the excited 5D(0) state to F-7(J) (J=0,1,2,3,4) levels of the Eu3+ ion. The most intense peak around 612 nm is due to the D-5(0)-\> F-7(2) transition, expected from the Judd-Ofelt selection rules [B. R. Judd, Phys. Rev. 127, 750 (1962); G. S. Ofelt, J. Chem. Phys. 37, 511 (1962)]. Photoluminescence measurements demonstrated that the nanocrystalline Eu3+:Y2O3 phase shows higher photoluminescence intensity. (c) 2006 American Institute of Physics.

}, issn = {0003-6951}, doi = {10.1063/1.2356694}, author = {Murugan, A. Vadivel and Viswanath, Annamraju Kasi and Ravi, V. and Kakade, Bhalchandra A. and Saaminathan, V.} } @article { ISI:000243088200025, title = {Photooxidation of vulcanized EPDM/montmorillonite nanocomposites}, journal = {Polymer Degradation and Stability}, volume = {91}, number = {12}, year = {2006}, month = {DEC}, pages = {3033-3039}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The photooxidation of a vulcanized ethylene-propylene-diene monomer (EPDM)/montmorillonite nanocomposite as well as EPDM/nanocomposite with stabilizers was studied under accelerated UV-light irradiation (lambda \>= 300 nm, 60 degrees C) for different times. The development of functional groups during oxidation was monitored by infrared spectroscopy. Photodegradation of the neat polymer and composites took place and the increases of absorbance in hydroxyl and carbonyl groups with irradiation times and also the decreases of the EPDM unsaturations were measured. The data indicated that the photooxidation products were not changed in the presence of the nanofiller. However, the presence of MMt was observed to dramatically enhance the rate of photooxidation of EPDM with a shortening of the oxidation induction time, leading to a decrease of the durability of the nanocomposites. On the other hand, it was observed that addition of stabilizers, either Tinuvin P or 2-mercaptobenzimidazole, was efficient in inhibiting the degradative effect of MMt. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {EPDM, Nanocomposite, photooxidation rate, stabilization}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2006.08.026}, author = {Morlat-Therias, Sandrine and Fanton, Elisabeth and Tomer, Namrata S. and Rana, Sravendra and Singh, R. P. and Gardette, Jean Luc} } @article { ISI:000243157600086, title = {Physical manipulation of biological and chemical syntheses for nanoparticle shape and size control}, journal = {Applied Physics Letters}, volume = {89}, number = {26}, year = {2006}, month = {DEC}, pages = {Article No. 263105}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

A nanosynthesis scheme is demonstrated which renders excellent control of nanoparticle shape, size, and dispersity in a solution based synthesis process. The scheme, termed as percolative microcavity synthesis, involves the use of a granular medium with percolative microcavities which facilitate nearly similar grain size/shape dependent reaction zones limiting intrinsic growth inhomogeneities, enabling particle size/shape control. The viability of the process is demonstrated for the synthesis of gold nanoparticles by a plant extract based biological method as well as a chemical method. (c) 2006 American Institute of Physics.

}, issn = {0003-6951}, doi = {10.1063/1.2424272}, author = {Ogale, Satishchandra B. and Ahmad, Absar and Pasricha, R. and Dhas, Vivek V. and Syed, A.} } @conference {42804, title = {Poly(High Internal Phase Emulsion) of 2-EHA, 2-EHMA and EGDA with naturally occurring phenolic compounds", paper presented at international conference on ?polymers for advanced technology}, booktitle = {Polymers for Advanced Technology}, year = {2006}, month = {DEC}, address = {National Chemical Laboratory, Pune}, author = {Ingavle, Ganesh C. and Shaikh, A. A. and Bhongale, Sunil Sitaram and Scaria, S. and Chavan, Nayaku and Qureshi, Mohammed and Ponrathnam, Surendra} } @article { ISI:000236590300058, title = {Poly(o-toluidine) coatings on copper: electrochemical synthesis from aqueous media}, journal = {Surface \& Coating Technology}, volume = {200}, number = {16-17}, year = {2006}, month = {APR}, pages = {5094-5101}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Poly(o-toluidine) (POT) coatings were synthesized on copper (Cu) by electrochemical polymerization of o-toluidine using aqueous sodium oxalate solution as supporting electrolyte. The resulting coatings were uniform, compact and strongly adherent to the Cu substrate. These coatings were characterized by using cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), X-ray diffraction (XRD) measurements and X-ray photoelectron spectroscopy (XPS). The results of these studies reveal that the sodium oxalate is suitable supporting electrolyte for the electrochemical polymerization of o-toluidine on Cu substrate. It is found that the electrochemical polymerization of o-toluidine takes place after the passivation of the Cu substrate via formation of copper oxalate (CuC2O4, H2O) layer, which is confirmed by XRD and XPS. The optical absorption spectroscopy study reveals the exclusive formation of the pernigraniline base (PB) form of POT. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Conducting polymer coatings, Copper, Corrosion resistant coatings, cyclic voltammetry, poly(o-toluidine) coatings}, issn = {0257-8972}, doi = {10.1016/j.surfcoat.2005.05.026}, author = {Shinde, V. and Mandale, A. B. and Patil, K. R. and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000242873400035, title = {Potassium phosphate or silica sulfuric acid catalyzed conjugate addition of thiols to alpha,beta-unsaturated ketones at room temperature under solvent-free conditions}, journal = {Tetrahedron Letters}, volume = {47}, number = {52}, year = {2006}, month = {DEC}, pages = {9325-9328}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Potassium phosphate and silica sulfuric acid have been found to be useful and highly efficient catalysts for conjugate addition of thiols to alpha,beta-unsaturated ketones under solvent-free conditions, at room temperature. Silica sulfuric acid (SSA) was found to be suitable for electron-deficient enones while potassium phosphate was found to effect thia-Michael addition with both, electron-deficient as well as electron-rich conjugated ketones. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {alpha, beta-unsaturated ketones, chalcones, conjugated enones, Michael addition, Potassium phosphate, silica sulfuric acid, thiols}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.10.114}, author = {Pore, D. M. and Soudagar, M. S. and Desai, Uday V. and Thopate, T. S. and Wadagaonkar, P. P.} } @article { ISI:000238928100018, title = {Preparation and characterization of novel hybrid of chitosan-g-lactic acid and montmorillonite}, journal = {Journal of Biomedical Materials Research Part A}, volume = {78A}, number = {2}, year = {2006}, month = {AUG}, pages = {372-382}, publisher = {WILEY-LISS}, type = {Article}, address = {DIV JOHN WILEY \& SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The utilization of biopolymers and the development of organic-inorganic hybrids are ever increasing interest of material science researchers around the globe for various applications. The present attempt is intended to prepare nanocomposites of lactic acid grafted chitosan and layered silicates. Nanocomposites were prepared by dissolving chitosan and dispersing sodium montmorillonite in aqueous solution of L-lactic acid with subsequent heating and film casting. They were characterized by conventional techniques such as Fourier transform infrared spectroscopy, X-ray diffractometry, thermogravimetric analysis, energy dispersive X-ray spectroscopy, and elemental analysis. The results from polar optical and transmission electron microscopic measurements are also discussed. Sorption behavior of samples has been followed by measuring swelling degree and contact angle. The films have shown enhanced hydrophilicity when compared with polylactic acid (PLA). Issues on the interactions of polycationic chitosan with clay are also discussed. It is observed that nanocomposites are exhibiting better thermal and physical properties than neat chitosang-LA and PLA. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {Chitosan, contact angle, graft copolymerization, Nanocomposites, polylactic acid, water absorption}, issn = {1549-3296}, doi = {10.1002/jbm.a.30738}, author = {Depan, Dilip and Kumar, Annamalai Pratheep and Singh, Raj Pal} } @article { ISI:000242427200014, title = {Preparation and characterization of urea-formaldehyde-pepsin bioconjugate: a new biocatalyst system}, journal = {Biotechnology Progress}, volume = {22}, number = {6}, year = {2006}, month = {DEC}, pages = {1585-1590}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

This study describes the synthesis of urea formaldehyde (UF) microspheres by a dispersion polycondensation polymerization method. These microspheres with proper F/U molar ratio can provide highly reactive groups, capable of further condensation with the amino acid residues of enzyme/proteins. Presence of methylols groups in UF microspheres was confirmed by C-13 NMR study. Pepsin, a proteolytic enzyme, was immobilized on the UF microspheres to form bioconjugate system. As compared to the free enzyme in solution, the pepsin in the bioconjugate system exhibited significantly enhanced pH and temperature stability. The urea-formaldehydepepsin bioconjugate system also exhibited excellent proteolytic activity over eight successive reuse cycles with more than 50\% of initial activity. A highlight of this new biocatalyst is the ease with which separation of this biocatalyst from the reaction medium may be achieved by mild centrifugation.

}, issn = {8756-7938}, doi = {10.1021/bp0602247}, author = {Vinod, V. P. and Shinde, Sudhirkumar and D{\textquoteright}Britto, Virginia and Shukla, P. G. and Rao, Mala} } @article { ISI:000239688400001, title = {Preparation and performance evaluation of EPDM nanocomposites under accelerated weathering}, journal = {Journal of Thermoplastic Composite Materials}, volume = {19}, number = {5}, year = {2006}, month = {SEP}, pages = {461-474}, publisher = {SAGE PUBLICATIONS LTD}, type = {Article}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

The degradability of ethylene propylene diene monomer (EPDM) nanocomposites, prepared from organically modified montmorillonite (CMMT), is studied under accelerated UV irradiation (lambda \>= 290 nm) for different time intervals. The development of functional groups during degradation is monitored by FT-IR spectroscopy whereas, surface changes are studied by scanning electron microscopy (SEM). The effect of clay modifier and clay concentration on the degradability are studied. The degradation of neat polymer and composites taking place traditionally and an increase in carbonyl and hydroxyl groups are observed with irradiation time. Neat EPDM is found to be less degradable than nanocomposites. Degradation products, as seen by FT-IR in nanocomposites are found to be the same as in neat polymer but are generated at a faster rate. According to the experimental results, one can define that both ammonium ion and neat montmorillonite (MMT) accelerate the photo-oxidation of EPDM.

}, keywords = {carbonyl index, Degradation, EPDM, layered silicates, Nanocomposites, photooxidation}, issn = {0892-7057}, doi = {10.1177/0892705706062204}, author = {Rana, Sravendra and Tevtia, Amit K. and Kumar, Bijendra and Singh, R. P.} } @article { ISI:000237600800007, title = {Rapid molecular identification of freshly squeezed and reconstituted orange juice}, journal = { International Journal of Food Science and Technology}, volume = {41}, number = {6}, year = {2006}, month = {JUN}, pages = {646-651}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

This work presents a rapid and accurate molecular approach in the identification of freshly squeezed and reconstituted orange juice. Primers were designed based on the 18S and internal transcribed spacer (ITS) region. The findings indicated that self-made freshly squeezed orange juice heated to 80 degrees C for 30 s caused damage to DNA integrity, thus failing in amplification by primer 18S-ITSe, which gives a polymerase chain reaction product of 2081 bp, whereas primer 18S-ITSf, fragment length 2421 bp, could only be seen in heating conditions less stringent than 70 degrees C, 15 s. This new DNA integrity-dependent method has potential applications in identifying adulteration of freshly or processed orange juice.

}, keywords = {adulteration, citrus, DNA degradation, molecular detection, reconstituted juice}, issn = {0950-5423}, doi = {10.1111/j.1365-2621.2006.01125.x}, author = {Ng, C. C. and Chang, C. C. and Wu, I. C. and Kotwal, S. and Shyu, Y. T.} } @article {Datar, title = {Remarkably rapid regioselective synthesis of beta-enaminones using silica chloride in a heterogeneous as well as an ionic liquid in a homogeneous medium at room temperature}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {245}, number = {1-2}, year = {2006}, note = {6th International Conference on Solvothermal Reactions, Mysore, INDIA, AUG 24-27, 2004}, month = {FEB}, pages = {37-46}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

{Silica chloride as a heterogeneous catalyst has been used for the regioselective synthesis of P-amino-a,P unsaturated esters and ketones. Similar regioselective synthesis was also performed using an ionic liquid 1-n-butyl imidazolium tetrafluoroborate [

}, keywords = {direct oxidation of H-2 to H2O2, H2O2 decomposition, H2O2 hydrogenation, Promoting action of chloride or bromide anions, supported Pd catalysts}, issn = {0021-9517}, doi = {10.1016/j.molcata.2005.09.021}, author = {Gholap, Atul R. and Chakor, N. S. and Daniel, Thomas and Lahoti, Rajgopal J. and Srinivasan, K. V.} } @article { ISI:000239001900001, title = {Re-tooling Benson{\textquoteright}s group additivity method for estimation of the enthalpy of formation of free radicals: C/H and C/H/O groups}, journal = {Journal of Chemical and Engineering Data}, volume = {51}, number = {4}, year = {2006}, month = {JUL}, pages = {1169-1181}, publisher = {AMER CHEMICAL SOC}, type = {Review}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Enthalpy of formation of free radicals is often required for the discrimination of reaction mechanisms (for complex processes such as combustion, hydrocarbon oxidation, or decomposition of peroxides and hydroperoxides) involving both molecular species and free radicals. Despite the expanding availability of the experimental measurements, the database for the enthalpy of formation of radicals is still not comprehensive. One of the simplest, efficient, and reliable methods for estimating the quantity for organic radicals from their molecular structure is the group-additivity method due to Benson and co-workers. Perusal of the literature shows that the group-additivity values (GAV) for many radical groups have remained either undetermined or obtained by assignment to the corresponding molecular groups without justification. In this paper, we devise simple methodologies to evaluate GAVs for a number of new oxygen-containing radical groups and re-estimate several alkyl and oxygen-containing radical groups using experimental data on the radical enthalpy of formation. The validity of these GAVs has been established by comparing the predicted enthalpies with experimental data. Finally, some of these updated GAVs were used in estimating the enthalpy change associated with the typical elementary steps in a peroxide decomposition reaction.

}, issn = {0021-9568}, doi = {10.1021/je0503960}, author = {Bhattacharya, Arijit and Shivalkar, Sagar} } @article { ISI:000236691000034, title = {Reverse microemulsion mediated sol-gel synthesis of lithium silicate nanoparticles under ambient conditions: Scope for CO2 sequestration}, journal = {Chemical Engineering Science}, volume = {61}, number = {10}, year = {2006}, month = {MAY}, pages = {3415-3418}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We report on the synthesis of nanocrystalline lithium silicate by coupling of sol-gel method in reverse microemulsion. The sample calcined at 800 degrees C gives pure phase lithium metasilicate nanocrystallites. X-ray diffraction and transmission electron microscopy confirmed the formation of nanocrystalline lithium silicate particles with a narrow size distribution. The nanoparticle prepared in the microemulsion shows enhanced CO2 sorption capacity and shorter retention times at higher temperature (similar to 131 ml/g at STP at 610 degrees C which are better than the best known results. (c) 2005 Elsevier Ltd. All rights reserved.

}, keywords = {Adsorption, Carbon dioxide, Microemulsion, particle, separations, sol-gel, surfactant}, issn = {0009-2509}, doi = {10.1016/j.ces.2005.11.065}, author = {Khomane, Ramdas B. and Sharma, B. K. and Saha, S. and Kulkarni, B. D.} } @article { ISI:000242873400029, title = {Ring closing metathesis approach to the indole alkaloid mitralactonine}, journal = {Tetrahedron Letters}, volume = {47}, number = {52}, year = {2006}, month = {DEC}, pages = {9301-9303}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient utilisation of RCM leading to a convenient synthesis of a pentacyclic indole alkaloid is described. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {corynanthe type alkaloid, Dihydroxylation, mitralactonine, RCM, Swern oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.10.106}, author = {Chavan, Subhash P. and Sharma, Pallavi and Sivappa, R. and Kalkote, Uttam R.} } @article { ISI:000238416100033, title = {Ring hydrogenation of naphthalene and 1-naphthol over supported metal catalysts in supercritical carbon dioxide solvent}, journal = {Catalysis Today}, volume = {115}, number = {1-4}, year = {2006}, note = {8th International Conference on Carbon Dioxide Utilization, Univ Oslo, Oslo, NORWAY, JUN 20-23, 2005}, month = {JUN}, pages = {248-253}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Catalytic ring hydrogenations of naphthalene and 1-naphthol were studied over several supported metal catalysts in supercritical carbon dioxide solvent at low temperature. Higher concentration of hydrogen in supercritical carbon dioxide and lower reaction temperature were responsible for higher catalyst activity and selectivities to the desired partial ring hydrogenated products as compared with those observed in organic solvent for the same catalyst. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {1-naphthol, Hydrogenation, Naphthalene, Supercritical carbon dioxide, supported metal catalyst}, issn = {0920-5861}, doi = {10.1016/j.cattod.2006.02.048}, author = {Shirai, M. and Rode, C. V. and Mine, Eiichi and Sasaki, A. and Sato, O. and Hiyoshi, Norihito} } @article {18}, title = {Role of halide ions and temperature on the morphology of biologically synthesized gold nanotriangles}, journal = {Langmuir}, volume = {22}, number = {2}, year = {2006}, month = {JAN}, pages = {736-741}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{In this paper, we demonstrate the effect of halide ions on the formation of biogenically prepared gold nanotriangles using the leaf extract of lemongrass (Cymbopogonflextiosus) plant. We have also studied the effect of halide ions on the morphology of biogenic nanotriangles. It has been shown that iodide ions have a greater propensity to transform flat gold nanotriangles into circular disklike structures as compared to other halide ions. The study also suggests that the presence of Cl- ions during the synthesis promotes the growth of nanotriangles, whereas the presence of I- ions distorts the nanotriangle morphology and induces the formation of aggregated spherical nanoparticles. The change in the morphology of gold nanotriangles has been explained in terms of the ability of the halide ions to stabilize or inhibit the formation of (I 11) faces to form [

}, keywords = {DME steam reforming, fuel cells, Hydrogen, Mixed oxides, supported Ga2O3, XPS}, issn = {1520-6106}, doi = {10.1021/la052055q}, author = {Rai, A. and Singh, A. and Ahmad, Absar and Sastry, M.} } @article { ISI:000240291900046, title = {Room-temperature biosynthesis of ferroelectric barium titanate nanoparticles}, journal = {Journal of the American Chemical Society}, volume = {128}, number = {36}, year = {2006}, month = {SEP}, pages = {Article No. JA063011M}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The syntheses of inorganic materials by biological systems is characterized by processes that occur close to ambient temperatures, pressures, and neutral pH, as is exemplified by biosilicification and biomineralization processes in nature. Conversely, laboratory-based syntheses of oxide materials often require extremes of temperature and pressure. We have shown here the extracellular, room-temperature biosynthesis of 4-5 nm ternary oxide nanoparticles such as barium titanate (BT) using a fungus-mediated approach. The tetragonality as well as a lowered Curie transition temperature in sub-10 nm particles was established, and the ferroelectricity in these particles was shown using Kelvin probe microscopy.

}, issn = {0002-7863}, doi = {10.1021/ja063011m}, author = {Bansal, Vipul and Poddar, Pankaj and Ahmad, Absar and Sastry, Murali} } @article { ISI:000240439900043, title = {Selective hydrogenation of naphthols to tetralones over supported palladium catalysts in supercritical carbon dioxide solvent}, journal = {Chemistry Letters}, volume = {35}, number = {7}, year = {2006}, month = {JUL}, pages = {780-781}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

Naphthols were selectively hydrogenated to the corresponding tetralones over supported palladium metal catalysts in super-critical carbon dioxide solvent.

}, issn = {0366-7022}, doi = {10.1246/cl.2006.780}, author = {Mine, Eiichi and Hiyoshi, Norihito and Sato, Osamu and Rode, Chandrashekhar V. and Shirai, Masayuki} } @article { ISI:000240670800021, title = {Short and practical enantioselective synthesis of linezolid and eperezolid via proline-catalyzed asymmetric alpha-aminooxylation}, journal = {Tetrahedron Letters}, volume = {47}, number = {38}, year = {2006}, month = {SEP}, pages = {6799-6802}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient enantioselective synthesis of the antibacterials, linezolid (U-100766), and eperezolid (U-100592) using D-proline-catalyzed asymmetric alpha-aminooxylation of aldehydes as the key step is described here. This is the first report on the enantioselective synthesis of linezolid and eperezolid using asymmetric catalysis. (c) 2006 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.07.065}, author = {Narina, Srinivasarao V. and Sudalai, Arumugam} } @article { ISI:000241179400021, title = {Short enantioselective synthesis of (-)-chloramphenicol and (+)-thiamphenicol using tethered aminohydroxylation}, journal = {Tetrahedron}, volume = {62}, number = {43}, year = {2006}, month = {OCT}, pages = {10202-10207}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient enantioselective synthesis of (-)-chloramphenicol (1) and (+)-thiamphenicol (2) is described. These antibiotics have been synthesized from commercially available 4-nitrobenzaldehyde and 4-(methylthio)benzaldehyde, respectively, using tethered amino-hydroxylation and Sharpless asymmetric epoxidation as the chirality inducing steps. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {asymmetric epoxidation, Asymmetric synthesis, Kinetic resolution, Tethered aminohydroxylation}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.08.019}, author = {George, Shyla and Narina, Srinivasarao V. and Sudalai, Arumugarn} } @article { ISI:000240670800024, title = {Short enantioselective synthesis of the antiepileptic agent, levetiracetam based on proline-catalyzed asymmetric alpha-aminooxylation}, journal = {Tetrahedron Letters}, volume = {47}, number = {38}, year = {2006}, month = {SEP}, pages = {6813-6815}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient enantioselective synthesis of a new antiepileptic drug, levetiracetam is described, in high optical purity (\> 99.5\% ee), using proline-catalyzed alpha-aminooxylation of n-butyraldehyde as the key step. (c) 2006 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.07.061}, author = {Kotkar, Shriram P. and Sudalai, Arumugam} } @article { ISI:000239224100005, title = {Silica-supported bis(imino)pyridyl iron(II) catalyst: nature of the support-catalyst interactions}, journal = {Polymer International}, volume = {55}, number = {8}, year = {2006}, month = {AUG}, pages = {854-861}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

Ethylene polymerizations were performed using silica-supported 2,6-bis[1-(2,6-diisopropylphenylimino) ethyl] pyridine iron(II) dichloride with methylaluminoxane (MAO) as co-catalyst. Silica was calcined at 600, 400 and 200 degrees C under vacuum for 8 h. The effect of calcination temperature of silica on the polymerization activity and the properties of the polymers obtained were examined. Catalyst-support interactions were examined by both a chemical method and XPS. It was observed that upon supporting the catalyst on the surface of silica, there is an increase in the binding energy of the metal center. However, no change in the metal binding energy was observed on supporting the catalyst to silica calcined at different temperatures. Ethylene polymerizations were performed using MAO as co-catalyst. Catalysts were also prepared by first pretreating silica with NIAO, followed by addition of the Fe(II) catalyst and contacting a complex of Fe(II) catalyst-MAO with silica previously calcined at 400 degrees C for 8 h. The results indicate that there is no chemical bonding between the support and the catalyst. (C). 2006 Society of Chemical Industry.

}, keywords = {bis(imino) pyridyl iron(II) complex, Polyethylene, silica, supported catalyst, XPS}, issn = {0959-8103}, doi = {10.1002/pi.2020}, author = {Ray, Saptarshi and Sivaram, Swaminathan} } @article {36}, title = {Sites for CO2 activation over amine-functionalized mesoporous Ti(Al)-SBA-15 catalysts}, journal = {Microporous and Mesoporous Materials}, volume = {90}, number = {1-3}, year = {2006}, month = {MAR}, pages = {314-326}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{Activation of CO and its utilization in the synthesis of chloropropene and styrene carbonates over functionalized, mesoporous SBA-15 solids, have been investigated. The surface basicity of SBA-15 was modified with nitrogen-based organic molecules of varying basicity viz., alkyl amines (-NH2), adenine (Ade), imidazole (Im) and guanine (Gua). The surface of SBA-15 was also functionalized with Ti4+ and Al3+ species. The acid-base properties of these modified SBA-15 materials were investigated by temperature-programmed desorption (TPD) and diffuse-reflectance infrared Fourier transform (DRIFT) spectroscopy. NH3 and pyridine were used as probe molecules for acid sites, while CO, was used to characterize the basic sites. CO was activated at the basic amine sites forming surface carbamate species (IR peaks: 1609 and 1446 cm(-1)). The latter reacted further with epoxides adsorbed on the acid sites forming cyclic carbonates. A correlation between the intensity of the IR peak at 1609 cm(-1) and cyclic carbonate yield has been observed. The cyclic carbonate yields were higher when both the acid and base functionalities were present on the surface. The Ti- and Al-SBA-15 functionalized with adenine exhibited the highest catalytic activity and selectivity. There is an optimal dependence ({\textquoteright}{\textquoteright}

}, keywords = {aromatization, Ga-based zeolites, propane, Si/Al ratio, Si/Ga ratio, zeolitic factors}, issn = {1566-7367}, doi = { 10.1016/j.micromeso.2005.10.043}, author = {Srivastava, R. and Srinivas, D. and Ratnasamy, P.} } @article { ISI:000239536200026, title = {Stabilization of gamma-sterilized biomedical polyolefins by synergistic mixtures of oligomeric stabilizers}, journal = {Polymer Degradation and Stability}, volume = {91}, number = {10}, year = {2006}, month = {OCT}, pages = {2451-2464}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The stabilization of polyolefins against gamma-sterilization has been studied with single or binary additive system. The present attempt is to utilize synergistic mixtures of stabilizers which are approved for food contact applications. Ethylene-propylene (EP) copolymer has been melt-mixed with hindered amine stabilizers (HAS), phenolic antioxidants and organo-phosphites (hydroperoxide decomposer). Samples were sterilized with different doses of gamma-radiation. Stabilization was characterized in terms of changes in the functional groups (oxidation products), tensile properties, yellowing and surface morphology by FTIR spectroscopy, Instron, colorimetry (reflectance) and scanning electron microscopy (SEM), respectively. Results were discussed by comparing the stabilizing efficiency of mixtures with and without phenol system. Among phenol containing systems, where we mostly observe discoloration due to the oxidation of hindered phenol and the combination of secondary HAS, tertiary HAS, organo-phosphite and hindered phenol exhibited improved stabilization efficiency than single or binary additive systems. The mixture of secondary HAS and tertiary HAS, has shown antagonistic effect of stabilization whereas their combination with organo-phosphite has exhibited synergistic effect of stabilization even at higher doses of gamma-sterilization. The effects have been explained through the interaction between the stabilizers. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {Antioxidants, discoloration, ethylene-propylene copolymer, gamma-sterilization, stabilization, tensile properties}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2006.03.010}, author = {Alariqi, Sameh A. S. and Kumar, A. Pratheep and Rao, B. S. M. and Tevtia, Amit K. and Singh, R. P.} } @article { ISI:000242873400039, title = {Stereoselective syntheses of unnatural steroidal C(20R) aldehydes by ionic hydrogenation of C-20 tertiary alcohols}, journal = {Tetrahedron Letters}, volume = {47}, number = {52}, year = {2006}, month = {DEC}, pages = {9343-9347}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Syntheses of three unnatural steroidal C(20R) aldehydes have been realised from 16-dehydropregnenol one acetate. The salient feature of the synthesis is the ionic hydrogenation of C-20 tertiary alcohols leading to the formation of the C(20R) unnatural isomer with complete stereoselectivity. Oxidative hydrolysis of the dithiane moiety furnished the C(20R) aldehydes. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {1, 3-dithiane, ionic hydrogenation, oxidative hydrolysis, stereoselective synthesis, unnatural C-20 aldehydes}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.10.116}, author = {Shingate, Bapurao B. and Hazra, Braja G. and Pore, Vandana S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000242524100005, title = {Stereoselective synthesis of the polyketide chain of nagahamide A}, journal = {Tetrahedron-Asymmetry}, volume = {17}, number = {18}, year = {2006}, month = {OCT}, pages = {2609-2616}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A carbohydrate based approach for the enantioselective synthesis of the polyketide acid unit present in nagahamide A has been reported. Reductive ring opening of a chiral cyclopropane ketone group to enantioselectively install the methyl and propyl groups, is a salient feature of this synthesis. (c) 2006 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2006.09.025}, author = {Mohapatra, Debendra K. and Chaudhuri, Siddhartha Ray and Sahoo, Gokarneswar and Gurjar, Mukund K.} } @article { ISI:000237440200012, title = {Structural and active site modification studies implicate Glu, Trp and Arg in the activity of xylanase from alkalophilic Bacillus sp (NCL 87-6-10)}, journal = {Enzyme and Microbial Technology}, volume = {39}, number = {1}, year = {2006}, month = {JUN}, pages = {67-73}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Structural studies and residue modification using group specific reagents were used to ascertain the role of different functional groups in xylanase from alkalophilic Bacillus sp. (NCL 87-6-10). Treatment with N-bromosuccinimide resulted in fast enzyme inactivation. Reaction with Woodward{\textquoteright}s reagent K resulted in initial fast followed by slower inactivation. In both cases enzyme was protected against inactivation by the substrate, xylan. The reaction of the enzyme with phenylglyoxal has revealed one essential arginine residue at the active site. The three-dimensional structural analysis of the xylanase at 2.8 angstrom resolution also implicates involvement of Trp, and Arg residues and carboxylate groups in the binding of substrate and in the catalysis of xylanase. (c) 2005 Published by Elsevier Inc.

}, keywords = {active-site residues, alkaline xylanase, Chemical modification, three-dimensional structure}, issn = {0141-0229}, doi = {10.1016/j.enzmictec.2005.09.010}, author = {Balakrishnan, H. and Satyanarayana, L. and Gaikwad, S. M. and Suresh, C. G.} } @article { ISI:000241414500049, title = {Structural and functional analysis of a conjugated bile salt hydrolase from Bifidobacterium longum reveals an evolutionary relationship with penicillin V acylase}, journal = {Journal of Biological Chemistry}, volume = {281}, number = {43}, year = {2006}, month = {OCT}, pages = {32516-32525}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

Bile salt hydrolase (BSH) is an enzyme produced by the intestinal microflora that catalyzes the deconjugation of glycine- or taurine-linked bile salts. The crystal structure of BSH reported here from Bifidobacterium longum reveals that it is a member of N-terminal nucleophil hydrolase structural superfamily possessing the characteristic alpha beta beta alpha tetra-lamellar tertiary structure arrangement. Site-directed mutagenesis of the catalytic nucleophil residue, however, shows that it has no role in zymogen processing into its corresponding active form. Substrate specificity was studied using Michaelis-Menten and inhibition kinetics and fluorescence spectroscopy. These data were compared with the specificity profile of BSH from Clostridium perfrigens and pencillin V acylase from Bacillus sphaericus, for both of which the three-dimensional structures are available. Comparative analysis shows a gradation in activity toward common substrates, throwing light on a possible common route toward the evolution of pencillin V acylase and BSH.

}, issn = {0021-9258}, doi = {10.1074/jbc.M604172200}, author = {Kumar, R. Suresh and Brannigan, James A. and Prabhune, Asmita and Pundle, Archana V. and Dodson, Guy G. and Dodson, Eleanor J. and Suresh, C. G.} } @article { ISI:000238097300041, title = {Subtle crossover from C-H center dot center dot center dot O to S=O center dot center dot center dot C=O short contacts in the association of diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoformate upon format}, journal = {Crystal Growth \& Design}, volume = {6}, number = {6}, year = {2006}, month = {JUN}, pages = {1485-1492}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Diastereomers of 2,4(6)- di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoformate associate via weak interactions to form {\textquoteleft}{\textquoteleft}head-to-head{\textquoteright}{\textquoteright} dimers in their crystals. Molecular association through C-H center dot center dot center dot O short contacts do not leave any void for the guest inclusion, while association through S=O center dot center dot center dot C=O bridging produces pseudopolymorphs. Three crystalline modifications are observed for the title compound: form I, monoclinic P2(1), without any guest solvent, and solvated forms II and III, that belong to monoclinic space groups P2(1) and C2, respectively. A majority of solvates, which include pyridine, dichloromethane, benzene, tetrahydrofuran, and cyclohexanone as guests, belong to form III. All these guests have 2-fold symmetry axes ( C2) with their electron count within 40-62 electrons; guest selectivity experiments indicate that planar aromatic guests ( pyridine, benzene) bind better to the host molecules as compared to nonplanar guests ( dioxane, cyclohexanone). The molecular packing that is created thorough channels in the crystal ( avoiding interpenetration of the layers) are of interest because of their potential application in molecular separation by forming selective inclusions. The diastereomeric association via S=O center dot center dot center dot C=O dipolar short contacts, a consistent feature observed in all the solvates, is thought to have relevance in the binding of sulfonyl drugs to the C=O moieties of the receptor proteins.

}, issn = {1528-7483}, doi = {10.1021/cg060127l}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article {31}, title = {Supramolecular self-assembled ruthenium-polypyridyl framework encapsulating discrete water cluster}, journal = {Crystal Growth \& Design}, volume = {6}, number = {3}, year = {2006}, month = {MAR}, pages = {743-748}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, keywords = {4, 4 {\textquoteleft}-dimethoxydiphenylmethane, benzylsulfonic acid, Condensation of anisole, p-formaldehyde, Zr-TMS-BSA}, issn = {1381-1169}, author = {Deshpande, Megha S. and Kumbhar, A. S. and Puranik, Vedavati G. and Selvaraj, K.} } @article { ISI:000238111400026, title = {Syntheses of polycarbonate and polyurethane precursors utilizing CO2 over highly efficient, solid as-synthesized MCM-41 catalyst}, journal = {Tetrahedron Letters}, volume = {47}, number = {25}, year = {2006}, month = {JUN}, pages = {4213-4217}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

As-synthesized MCM-41 was used as a reusable, heterogeneous catalyst for the eco-friendly synthesis of cyclic carbonate precursors of polycarbonates via a cycloaddition reaction of CO2 with epoxides. This catalyst is also efficient for the synthesis of alkyl and aryl carbamate precursors of polyurethanes via the reaction of amines, CO2 and alkyl halides. Both these reactions were carried out under mild conditions and without using any solvent or co-catalyst. CO2 is utilized as a raw material replacement for toxic phosgene in the conventional synthesis of these chemicals. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {carbamates, carbon dioxide utilization, CO2 fixation, cyclic carbonates, eco-friendly processes, MCM-41, polycarbonates, polyurethanes}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.04.057}, author = {Srivastava, R. and Srinivas, D. and Ratnasamy, P.} } @article { ISI:000242468700074, title = {Synthesis and characterization of cholesteric thermotropic liquid crystalline polyesters}, journal = {Journal of Applied Polymer Science}, volume = {103}, number = {2}, year = {2006}, month = {JAN}, pages = {1232-1237}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Cholesteric liquid crystalline polyesters were successfully synthesized from isosorbide, methyl hydroquinone, and isophthaloyl chloride. Homo/copolyesters were synthesized by the solution polycondensation method, for which a mild organic base such as pyridine was employed. Inherent viscosities of polyesters P-3-P-5 were in the range of 0.31-0.39 dL/g at 25 degrees C in chloroform, and polyesters P-1 and P-2 were insoluble in chloroform. Homo/copolyesters based on isosorbide, methyl hydroquinone, and isophthalic acid had thermal stability at more than 300 degrees C on the basis of 10\% weight loss. The thermotropic liquid crystalline properties were examined by differential scanning calorimetry and polarizing optical microscopy. Wide-angle X-ray diffraction study demonstrated that polyesters P-1, P-2, and P-3 were semicrystalline, whereas the degree of crystallinity of polyesters P-4 and P-5 was less than 5\%. Copolyester P-4 showed formation of a yellow iridescent streak at 209 degrees C on heating and development of a Grand-jean texture at 270 degrees C on heating. These are typical textures of the cholesteric liquid crystalline phase. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {cholesteric liquid crystalline polymers (ChLCP), Differential scanning calorimetry (DSC), optical microscopy, solution polycondensation, Thermogravimetric analysis (TGA), viscosity}, issn = {0021-8995}, doi = {10.1002/app.24610}, author = {Jadhav, Sushilkumar A. and Chougule, Rahul R. and Shinde, Yogesh A. and Chavan, Nayaku} } @article { ISI:000242818000001, title = {Synthesis and characterization of corrosion protective poly(2,5-dimethylaniline) coatings on copper}, journal = {Applied Surface Science}, volume = {253}, number = {3}, year = {2006}, month = {NOV}, pages = {1037-1045}, publisher = {ELSEVIER SCIENCE BV}, type = {Review}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Poly(2,5-dimethylaniline) coatings were synthesized on copper (Cu) by electrochemical polymerization of 2,5-dimethylaniline in aqueous salicylate solution by using cyclic voltammetry. The characterization of these coatings was carried out by cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared (FTIR) spectroscopy and scanning electron microscopy (SEM). The results of these characterizations indicate that the aqueous salicylate solution is a suitable medium for the electrochemical polymerization of 2,5-dimethylaniline to generate strongly adherent and smooth poly (2,5-dimethylaniline) coatings on Cu substrates. The performance of poly(2,5-dimethylaniline) as protective coating against corrosion of Cu in aqueous 3\% NaCl was assessed by the potentiodynamic polarization technique. The results of the potentiodynamic polarization demonstrate that the poly(2,5-dimethylaniline) coating has ability to protect the Cu against corrosion. The corrosion potential was about 0.078 V versus SCE more positive in aqueous 3\% NaCl for the poly(2,5-dimethylaniline) coated Cu than that of uncoated Cu and reduces the corrosion rate of Cu almost by a factor of 31. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {5-dimethylaniline) coatings, conducting polymers, Copper, Corrosion resistant coatings, cyclic voltammetry, Electrochemical polymerization, Poly(2}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2006.02.007}, author = {Shinde, Vandana and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000242793800020, title = {Synthesis and characterization of TAPO-31 molecular sieves using tripropylamine template}, journal = {Catalysis Communications}, volume = {7}, number = {12}, year = {2006}, month = {DEC}, pages = {1015-1021}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

TAPO-31 was synthesized hydrothermally using a novel template tri-n-propylamine for the first time. C and N analysis shows the butanol from titanium tetrabutoxide plays an important role in the synthesis. The incorporation of titanium into framework of phosphorous and both aluminiurn and phosphorous sites was suggested from elemental analysis. Isomorphous substitution of titanium (III) in AlPO framework was confirmed from ESR and (31)p MASNMR spectra. UV-Vis and XPS spectra revealed a partial oxidation of framework titanium (III) into titanium (IV) in the calcined TAPO-31 and thus the presence of redox centers in the products. The higher titanium content (Al/Ti = 10) TAPO-31 sample shows higher activity for phenol hydroxylation compared to lower titanium content (Al/Ti = 20) and Titanium impregnated AIPO(4)-31. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {ESR, FT-IR, MASNMR, SEM, TAPO-31, TG/DTA, tripropylamine, UV-Vis, XPS, XRD}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.05.010}, author = {Venkatathri, N. and Shetty, V. N.} } @article {42732, title = {Synthesis and utility of new amine/nucleobase addition products of allenylphosphonates}, journal = {Tetrahedron}, volume = {62}, year = {2006}, month = {SEP}, pages = {10152{\textendash}10161}, type = {Article}, abstract = {

In the reaction of allenylphosphonates with amines/nucleobases, depending on the amine and the allenylphosphonate, either Z- or E-vinylphosphonate or allylphosphonate as a single isomer with a β-amino functionality was isolated. A simple route to phosphonates with a β-NH2 group is developed by direct reaction with ammonia. In reactions with adenine, three different modes of reaction, with one of them involving an unusual cyclisation, are observed. The utility of (enamino)allyl phosphonate products thus obtained in the synthesis of (enamino)-1,3-butadienes via Horner{\textendash}Wadsworth{\textendash}Emmons (HWE) reaction is also demonstrated.

}, doi = {10.1016/j.tet.2006.08.034}, author = {Swamy, K. C. Kumara and Balaraman, Ekambaram and Kumar, N. Satish} } @article {Bender, title = {Synthesis, characterization, X-ray structure and DNA photocleavage by cis-dichloro bis(diimine) Co(III) complexes}, journal = {Journal of Inorganic Biochemistry}, volume = {100}, number = {3}, year = {2006}, month = {MAR}, pages = {331-343}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, keywords = {Acetic acid, acrylic acid, oxidative conversion of propane, rare earth-doped Mo-V-Sb catalysts}, issn = {0268-2575}, doi = {10.1016/j.jinorgbio.2005.11.022}, author = {Ghosh, Smita and Barve, A. C. and Kumbhar, A. A. and Kumbhar, A. S. and Puranik, Vedavati G. and Datar, P. A. and Sonawane, U. B. and Joshi, Rohini R.} } @article { ISI:000236814800021, title = {Synthesis of 4-aminomethyl-tetrahydrofuran-2-carboxylates with 2,4-cis and 2,4-trans relationships}, journal = {Tetrahedron}, volume = {62}, number = {17}, year = {2006}, month = {APR}, pages = {4110-4119}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Templated tetrahydrofuran-based gamma-azido esters were prepared with the C-2 and C-4 functionalities in cis and trans relative configurations. This was achieved by ring contraction of the suitably protected 2-O-triflates of pentono-1,5-lactones (D-ribose and L-arabinose) with subsequent introduction of the azide via the 4-O-triflate. Access to a corresponding beta-azido ester was achieved in good yield. Little elimination product was observed by introduction of the azide via the 3-O-triflate. These azido esters are scaffolds. which may be predisposed to adopt secondary structural motifs, for example. for use as peptidomimetics; they may also be utilised for the preparation of stereodiverse compound libraries. (c) 2006 Elsevier Ltd All rights reserved.

}, keywords = {gamma amino acids, Peptidomimetics, scaffolds, sugar amino acids}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.02.007}, author = {Edwards, Alison A. and Sanjayan, Gangadhar J. and Hachisu, Shuji and Soengas, Raquel and Stewart, Alistair and Tranter, George E. and Fleet, George W. J.} } @article { ISI:000242204500017, title = {Synthesis of annularly functionalised BINOL-based chiral cyclophanes}, journal = {Journal of Chemical Research-S}, number = {10}, year = {2006}, month = {OCT}, pages = {671-674}, publisher = {SCIENCE REVIEWS LTD}, type = {Article}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {

Chiral cyclophanes with annular functionality were synthesised by coupling carbonyl dibromides with (S)-BINOL. Semi-empirical calculations by MOPAC (PM3) were also performed on the cyclophanes prepared to view their cavity sizes.

}, keywords = {annular functionality, chiral cyclophanes}, issn = {0308-2342}, author = {Srisailas, Muthialu and Rajakumar, Perurnal} } @article {42691, title = {Synthesis of azobenzenophanes with a large molecular cavity}, journal = {Australian Journal of Chemistry}, volume = {59}, year = {2006}, month = {JAN}, pages = {75-77}, type = {Article}, abstract = {

The design and synthesis of four large-cavity azobenzenophanes, capable of forming photochemically controllable complexes with organic guest molecules, are described. These azobenzenophanes, possessing m-terphenyl, aromatic carbonyl, and chiral BINOL spacers, were synthesized from the corresponding bisphenols and dibromides using simple O-alkylation methodology. A preliminary photochemical study was carried out on the aromatic carbonyl spacer containing azobenzenophane, and the isosbestic points for the cis{\textendash}trans isomerization process appeared at 319 and 419 nm.

}, doi = {10.1071/CH05254}, author = {Rajakumar, Perumal and Senthilkumar, B. and Srinivasan, Kannupal} } @article { ISI:000238050700006, title = {Synthesis of beta-Ag2Se from organo-selenium precursor and silver nitrate in DMF via simultaneous reduction of selenium and silver salt}, journal = {Materials Letters}, volume = {60}, number = {17-18}, year = {2006}, month = {AUG}, pages = {2080-2085}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Reaction of selenium powder and silver nitrate in aqueous N,N{\textquoteright}-dimethylformamide (aq. DMF) leads to formation of silver selenide. Similar reaction with cycloalkeno-1,2,3-selenadiazole an organic compound of selenium upon thermolysis, also produces silver selenide. It is believed that DMF activates selenium and reduces silver salt via in-situ generated hydrogen ion simultaneously. Slightly broadened X-ray diffraction pattern for pure beta silver selenide (beta-Ag2Se) was observed. Scanning electron microscopy (SEM) indicated that the agglomerated particles could be in the range of about 100 to 200 nm in dimension. EDAX analysis showed non-stoichiometric elemental ratio between silver and selenium. It is found that the weight percent of Ag is slightly higher than Se. However, free amorphous selenium is also detected by XPS analysis when the product is made by use of elemental selenium. Thermal analysis (TGA) revealed a small (4\%) weight loss due to the presence of organics or the solvent from the reaction medium. (c) 2005 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, nano powder, noble metal chalcogenides, Semiconductor}, issn = {0167-577X}, doi = {10.1016/j.matlet.2005.12.079}, author = {Khanna, P. K. and Singh, N. and Charan, Shobhit and Patil, K. R.} } @article { ISI:000238142900019, title = {Synthesis of beta-amino alcohols from aromatic amines and alkylene carbonates using Na-Y zeolite catalyst}, journal = {Synlett}, number = {9}, year = {2006}, month = {JUN}, pages = {1374-1378}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A simple, efficient, and environmentally benign methodology for the synthesis of beta-amino alcohols from aromatic amines and alkylene carbonates in the presence of the highly active and reusable solid base catalyst Na-Y zeolite is demonstrated.

}, keywords = {Alkylation, alkylene carbonate, Amine, Amino alcohols, zeolite}, issn = {0936-5214}, doi = {10.1055/s-2006-939697}, author = {Shivarkar, Anandkumar B. and Gupte, Sunil P. and Chaudhari, Raghunath V.} } @article { ISI:000242958500011, title = {Synthesis of cadmium selenide thin films at low-temperature by simple chemical route and their characterization}, journal = {Journal of Physics and Chemistry of Solids}, volume = {67}, number = {12}, year = {2006}, month = {DEC}, pages = {2506-2511}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Crystalline CdSe thin film has been deposited using appropriate precursor solution containing cadmium sulfate octahydrate, tartaric acid, potassium hydroxide, ammonia and sodium selenosulfate. The effect of parameters such as bath composition, deposition temperature, pH of the solution, speed of the rotation and the specificity of complexing agent on growth process is studied. The {\textquoteleft}as-deposited{\textquoteright} CdSe thin film was found to be red in color, specularly reflective and well adherent to the glass substrate. The crystalline phase of the deposited sample was hexagonal wurtzite-type. The analysis of optical absorption data shows energy band gap energy (E-g) 2.01 eV. The morphological study and compositional analysis of film sample have been discussed. The electrical resistivity of CdSe thin film was found to the order of 10(6) Omega cm. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {XRD}, issn = {0022-3697}, doi = {10.1016/j.jpes.2006.07.006}, author = {Hankare, P. P. and Delekar, S. D. and Asabe, M. R. and Chate, P. A. and Bhuse, V. M. and Khomane, A. S. and Garadkar, K. M. and Sarwade, B. D.} } @article { ISI:000237856400014, title = {Synthesis of corrosion inhibitive poly(2,5-dimethylaniline) coatings on low carbon steel}, journal = {Journal of Materials Science}, volume = {41}, number = {10}, year = {2006}, month = {MAY}, pages = {2851-2858}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

An attempt has been made towards the synthesis of strongly adherent poly(2,5-dimethylaniline) coatings on low carbon steel substrates, with an objective of examining the possibility of using this polymer for corrosion protection of steel in chloride environment. In this work, the poly(2,5-dimethylaniline) coatings were synthesized by electrochemical polymerization of 2,5-dimethylaniline using sodium salicylate as a supporting electrolyte. The characterization of these coatings was carried out by cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared spectroscopy and scanning electron microscopy. The results of these characterizations indicate that the aqueous salicylate solution is a suitable medium for the electrochemical polymerization of 2,5-dimethylaniline to generate strongly adherent and smooth poly(2,5-dimethylaniline) coatings on low carbon steel substrates. The performance of poly(2,5-dimethylaniline) as protective coating against corrosion of low carbon steel in aqueous 3\% NaCl was assessed by the open circuit potential and the potentiodynamic polarization measurements. The potentiodynamic polarization measurement reveals that the poly(2,5-dimethylaniline) coating increases the corrosion potential and reduces the corrosion rate of low carbon steel almost by a factor of 50. This study clearly ascertains that the poly(2,5-dimethylaniline) has outstanding capability to protect low carbon steel against corrosion in chloride environment. (c) 2006 Springer Science + Business Media, Inc.

}, issn = {0022-2461}, doi = {10.1007/s10853-006-2375-7}, author = {Shinde, V. and Sainkar, S. R. and Gangal, S. A. and Patil, P. P.} } @article { ISI:000236150300039, title = {Thermotropic behavior of lithocholic acid derivative linked hydroxyethyl cellulose}, journal = {Journal of Applied Polymer Science}, volume = {100}, number = {3}, year = {2006}, month = {MAY}, pages = {1995-2001}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Various mesogenic lithocholic acid (LA) derivatives [3-acetyl LA (LAAC); 3-propionyl LA (LAP), 3-cinnamoyl LA (LACin); 3-benzoyl LA (LAB), 3-(4-nitrobenzoyl) LA (LANB); and methyl-3-(3-carboxypropionyl) LA, i.e., LA methyl ester monosuccinate (LAMeMS)] were reacted with hydroxyethyl cellulose (HEC) to obtain a series of LA derivatives of HEC. These polymers were characterized by the mesogen content, 1.1, differential scanning calorimetry, and hot-stage coupled polarizing optical microscopy. The degree Of Substitution (DS) ranged from 0.27 to 1.11. Polymers HEC-LAB (DS = 1.11), HEC-LANB (DS = 0.80), HEC-LACin (DS = 0.76), and HEC-LAP (DS = 0.27) exhibited a mesophase on heating whereas HEC-LAB also showed a mesophase on cooling. The other polymers HEC-LAAC (DS = 0.89) and HEC-LAMeMS (DS = 0.36) did not reveal mesophase formation with either heating or cooling. It is observed that the formation of a mesophase is affected by the type of mesogen that is used rather than the mesogen content of the polymer. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {hydroxyethyl cellulose, lithocholic acid, thermotropic}, issn = {0021-8995}, doi = {10.1002/app.22285}, author = {Shaikh, V. A. E. and Maldar, Noormahamad N. and Lonikar, Shrikant Vitthal and Rajan, C. R. and Ponrathnam, S.} } @article { ISI:000240639000014, title = {Transesterification of cyclic carbonates with methanol at ambient conditions over tungstate-based solid catalysts}, journal = {Applied Catalysis A-General}, volume = {312}, year = {2006}, month = {SEP}, pages = {108-114}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Dimethyl carbonate synthesis with 80 mol\% yield is achieved through transesterification of ethylene carbonate with methanol at ambient conditions (RT and atmospheric pressure) using alkali and alkaline-earth tungstates as solid catalysts. The catalysts are efficient even at the sub-ambient temperatures. Reactions under CO2 pressure indicate that CO2 atmosphere retards the transesterification reaction completely below 100 degrees C. Experimental conditions of 150 degrees C and 3.4 MPa CO2 pressure are required to obtain maximum DMC yield of 71 mol\%. Synthesis of DMC by one-pot synthesis using epoxide, CO2 and methanol is not as effective as that by two-step method with the present catalyst system. Raman and IR spectra of methanol-interacting tungstates indicate the formation of a methoxide ion species adsorbed at the catalyst surface as one possible reaction intermediates. (C) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Dimethyl carbonate, ethylene carbonate, heterogeneous catalyst, Raman spectroscopy, sodium tungstate, transesterification}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.06.034}, author = {Sankar, M. and Nair, C. Madhavan and Murty, K. V. G. K. and Manikandan, Palanichamy} } @article { ISI:000239400800053, title = {Unfavorable coordination of copper with methyl vinyl ketone in atom transfer radical polymerization}, journal = {Macromolecules}, volume = {39}, number = {16}, year = {2006}, month = {AUG }, pages = {5555-5558}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0024-9297}, doi = {10.1021/ma060365p}, author = {Mittal, A. and Sivaram, S. and Baskaran, D.} } @article { ISI:000242469000012, title = {Unusual formation of nano-particles of CdO and Cd(OH)(2) from the reaction of dimethyl cadmium with DMF}, journal = {Materials Letters}, volume = {60}, number = {29-30}, year = {2006}, month = {DEC}, pages = {3492-3498}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This paper presents generation of CdO and Cd(OH)(2) nano-particles from Dimethyl Cadmium in DMF. The CdO nano-particles were obtained instead of CdSe, even when the reaction was done in presence of 1,2,3-selenadiazole (the source of selenium) with Me2Cd in DMF (product-I). The direct reaction of Me2Cd in DMF also leads to formation of CdO (product-II). However, Cd(OH)(2) nano-particles were obtained when Me2Cd was refluxed in DMF for a few hours followed by reaction of H2S gas (product-III). The formation of Cd(OH)(2) was also established via decomposition Of Me2Cd:Et2O adduct (product-IV). Nano-particles of CdO and Cd(OH)(2) (product-I to product-IV) were characterized by X-ray powder diffraction (XRD), TEM and SEM/EDS measurements, FTIR, thermal analysis (TGA) and XPS analysis. The particle size of all the products as calculated by XRD patterns were in the range of about 20 nm. TEM images showed that the products are agglomerated clusters with the particles in the nano-meter regime. The synthesis however, is understood to be unusual as the reactions with selenium source and sulfur source should have generated the CdSe and CdS however, the end products were always found to be the product-I to product-IV (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, Nanoparticles, Semiconductor, XRD}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.03.054}, author = {Singh, Narendra and Charan, Shobhit and Patil, K. R. and Viswanath, A. K. and Khanna, P. K.} } @article {42733, title = {Unusual products in the reactions of phosphorus(III) compounds with N=N, C equivalent to C or conjugated double-bonded systems}, journal = {Journal of Chemical Sciences}, volume = {118}, year = {2006}, month = {NOV}, pages = {495{\textendash}501}, type = {Article}, abstract = {

The diversity of products in the reaction of diethyl azodicarboxylate (DEAD)/diisopropyl azodicarboxylate (DIAD) and activated acetylenes with PIII compounds bearing oxygen or nitrogen substituents is discussed. New findings that are useful in understanding the nature of intermediates involved in the Mitsunobu reaction are highlighted. X-ray structures of two new compounds (2-t-Bu-4-MeC6H3O)P (μ-N-t-Bu)2P+[(NH-t-Bu)N[(CO2]-i-Pr)(HNCO2-i-Pr)]](Cl-)(2-t-Bu-4-MeC6H3OH)(23)and [CH2(6-t-Bu-4-Me-C6H2O)2P(O)C(CO2Me)C-(CO2Me)CClNC(O)Cl] (33) are also reported. The structure of23 is close to one of the intermediates proposed in the Mitsunobu reaction.

}, doi = {10.1007/BF02703946}, author = {Swamy, K. C. Kumara and Balaraman, Ekambaram and Pavan, M. Phani and Kumar, N. N. Bhuvan and Kumar, K. Praveen and Kumar, N. Satish} } @article { ISI:000240279200017, title = {Vanadium-containing ethane-silica hybrid periodic mesoporous organosilicas: synthesis, structural characterization and catalytic applications}, journal = {Microporous and Mesoporous Materials}, volume = {94}, number = {1-3}, year = {2006}, month = {SEP}, pages = {127-138}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Vanadium-containing ethane-silica hybrid mesoporous silsesquioxane materials (V-HMM) with uniform hexagonal arrangement were prepared using C-18-, C-16- and C-14-alkyl trimethyl ammonium (ATMA) surfactants under basic conditions. The materials were characterized by PXRD, N-2 adsorption-desorption, UV-Visible spectroscopy, Raman, Si-29, C-13 and V-51 solid-state MAS NMR, TEM and SEM techniques. The characterization techniques revealed that the structural ordering, morphology as well as the percentage of metal incorporation depends strongly on the hydrophobic chain length of the surfactant. PXRD, electron microscopy and N-2 adsorptiondesorption analysis confirmed that the original hexagonal structure of the material is maintained after vanadium substitution. UV-Visible, V-51 NMR and Raman analysis certified that vanadium exists in a highly dispersed state and had tetrahedral coordination with the support surface. Liquid-phase epoxidation reaction of styrene using aqueous H2O2 and TBHP as oxidants, showed that the hybrid materials were highly active and more stable than conventional vanadosilicates. The high catalytic activity and improved epoxide selectivity of the V-HMM samples is related to the more hydrophobic environment inside the pore channels than the silica channels in V-MCM-41. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {epoxidation, organo vanadosilicates, styrene, V-HMM, V-MCM-41}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.03.027}, author = {Shylesh, S. and Singh, A. P.} } @article { ISI:000237524500009, title = {Well-defined poly(4-vinylbenzocyclobutene): synthesis by living anionic polymerization and characterization}, journal = {Macromolecules}, volume = {39}, number = {10}, year = {2006}, month = {MAY}, pages = {3525-3530}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Living anionic polymerization of 4-vinylbenzocylobutene was performed in benzene at room temperature using sec-butyllithium as the initiator. Results of the kinetic studies indicated the termination- and transfer-free nature of the polymerization. Homopolymers with predictable molecular weights and narrow molecular weight distributions were produced, excluding the interference of the cyclobutene rings during initiation and propagation. Thermogravimetric analysis of poly( 4-vinylbenzocyclobutene) in air showed a small weight gain at similar to 200 degrees C, a rapid decomposition at similar to 455 degrees C, and a gradual decomposition at similar to 566 degrees C. This behavior was attributed to the formation of radicals from the pendent benzocyclobutene functionality through o-quinodimethane intermediates and simultaneous decomposition/ cross-linking reactions at high temperature. The living nature of the polymerization was also examined via sequential copolymerization with butadiene to form diblock copolymers.

}, issn = {0024-9297}, doi = {10.1021/ma060175e}, author = {Sakellariou, G. and Baskaran, D. and Hadjichristidis, Nikos and Mays, Jimmy W.} } @article { ISI:000249453100008, title = {4-Formylazetidin-2-one as a useful building block for the formal synthesis of xylo-(2S,3R,4R)-phytosphingosine and threo-(2S,3S)-sphingosine}, journal = {Synthesis-Stuttgart }, volume = {17}, number = {17}, year = {2007}, month = {SEP}, pages = {2631-2636}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Stereoselective formal synthesis of xylo-(2S,3R,4R)-phytosphingosine and threo-(2S,3S)-sphingosine is described starting from an enantiopure formyl-substituted P-lactam. Grignard reaction of the N-Boc-protected-beta-lactam carbonyl group, followed by further transformations, provides a common intermediate for xylo-(2S,3R,4R)-phytosphingosine and threo-(2S,3S)-sphingosine.

}, keywords = {azetidin-2-one, beta-lactam, Grignard reaction, Phytosphingosine, Sphingosine}, issn = {0039-7881}, doi = {10.1055/s-2007-983815}, author = {Kale, Ajaykumar S. and Sakle, Prathmesh S. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000251828300003, title = {Activation and reactivity of epoxides on solid acid catalysts}, journal = {Journal of Catalysis}, volume = {252}, number = {2}, year = {2007}, month = {DEC}, pages = {148-160}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The aminolysis of epoxides over novel solid catalysts (Bronsted-acidic SBA-15 functionalized with propylsulfonic acid and Lewis-acidic Ti-MCM-41) is reported. The acidic properties of these catalysts were determined by FTIR spectroscopy and temperature-programmed desorption of pyridine and NH3, respectively. The mesoporous solid acids of the present study are reusable and exhibit significantly higher catalytic activities than known catalysts for opening of the oxirane ring with nitrogen (aromatic and aliphatic amines)-containing and oxygen (alcohols)-containing nucleophiles. A range of beta-amino, alcohols with high regioselectivity and stereoselectivity were synthesized. Adsorption studies as well as the sigmoid shape of the conversion- versus-time plots show that the epoxide and amine compete for adsorption on the acidic sites (-SO3H or Ti4+) on the catalyst surface. Epoxide adsorption and activation on acid sites are the more critical processes. Catalytic activity decreases with increasing basicity of the amines and/or the alcohol, as well as the dielectric constant of the solvent. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {aminolysis and alcoholysis of epoxides, beta-Amino alcohols, ring opening of epoxides, SBA-15 functionalized with propylsulfortic acid, Solid acids, Ti-MCM-41}, issn = {0021-9517}, doi = {10.1016/j.jcat.2007.10.002}, author = {Saikia, Lakshi and Satyarthi, J. K. and Srinivas, Darbha and Ratnasamy, P.} } @article { ISI:000243831600015, title = {Acylation of anisole with long-chain carboxylic acids over wide pore zeolites}, journal = {Applied Catalysis A-General}, volume = {317}, number = {2}, year = {2007}, month = {FEB}, pages = {250-257}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The acylation of anisole with long-chain carboxylic acids (hexanoic, octanoic and decanoic) has been studied over three large pore zeolites-beta (BEA), faujasite (FAU) and mordenite (MOR). The acylation of anisole with the long chain acids produced mainly the ketone (4-methoxy phenyl alkyl ketone) and small amounts of the ester (phenyl alkanoate). The results revealed the reaction to be influenced by the type of zeolite and its Si/Al ratio (acidity) besides the chain length (carbon number) of the carboxylic acid. In the acylation of anisole with hexanoic acid, the activity of the zeolites increased with dealumination as it led to the generation of mesopores that resulted in a decrease in diffusion resistance of the zeolites. The reactivity of the acids in the acylation reaction was found to decrease with increase in the carbon number. The experimental data have been fitted into a pseudo first order kinetic model. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Acylation, Anisole, decanoic acid, hexanoic acid, octanoic acid, zeolites}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.10.023}, author = {Wagholikar, S. G. and Niphadkar, P. S. and Mayadevi, S. and Sivasanker, S.} } @article { ISI:000247759200023, title = {Adsorption of zinc from aqueous solution using chemically treated newspaper pulp}, journal = {Bioresource Technology }, volume = {98}, number = {16}, year = {2007}, month = {NOV}, pages = {3136-3141}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Adsorption of zinc was studied using chemically modified newspaper pull) as an adsorbent in the aqueous medium. Quantitative chemical analysis showed the presence of trace quantities of some inorganic elements along with phosphorous in TNP. The experimental adsorption data fitted reasonably well to both Freundlich and Langmuir isotherm. pHzpc of TNP was 5.1, which indicated that the adsorbent was more potential for cationic adsorption. The adsorption kinetic data followed a pseudo-second order model for zinc. Optimum Zn2+ loading was 9.20 mg/g for 10.31 mg/l initial zinc concentration at pH 5.80. Zn2+ loading on TNP was dependent on initial zinc concentration. TNP was a potential adsorbent for the removal of Zn from the effluent of electroplating industry. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Adsorption, newspaper pulp, TNP, zinc}, issn = {0960-8524}, doi = {10.1016/j.biortech.2006.10.040}, author = {Chakravarty, S. and Bhattacharjee, S. and Gupta, K. K. and Singh, M. and Chaturvedi, Hema T. and Maity, S.} } @article { ISI:000250661500014, title = {All-solid-state{\textquoteright} electrochemistry of a protein-confined polymer electrolyte film}, journal = {Biochemical and Biophysical Research Communications}, volume = {364}, number = {1}, year = {2007}, month = {DEC}, pages = {86-91}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Interfacial redox behavior of a heme protein (hemoglobin) confined in a solid polymer electrolyte membrane, Nafion (a perfluoro sulfonic acid ionomer) is investigated using a unique {\textquoteleft}all-solid-state{\textquoteright} electrochemical methodology. The supple phase-separated structure of the polymer electrolyte membrane, with hydrophilic pools containing solvated protons and water molecules, is found to preserve the incorporated protein in its active form even in the solid-state, using UV-visible, Fluorescence (of Tryptophan and Tyrosine residues) and DRIFT (diffuse reflectance infrared Fourier transform) spectroscopy. More specifically, solid-state cyclic voltammetry and electrochemical impedance of the protein-incorporated polymer films reveal that the Fe2+-form of the entrapped protein is found to bind molecular oxygen more strongly than the native protein. In the {\textquoteleft}all-solid-state{\textquoteright} methodology, as there is no need to dip the protein-modified electrode in a liquid electrolyte (like the conventional electrochemical methods), it offers an easier means to study a number of proteins in a variety of polymer matrices (even biomimetic assemblies). In addition, the results of the present investigation could find interesting application in a variety of research disciplines, in addition to its fundamental scientific interest, including protein biotechnology, pharmaceutical and biomimetic chemistry. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {all-solid-state, cyclic voltammetry, hemoglobin, Impedance, Nafion, redox behavior}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2007.09.118}, author = {Parthasarathy, Meera and Pillai, Vijayamohanan K. and Mulla, Imtiaz S. and Shabab, Mohammed and Khan, Mohammad Islam} } @article { ISI:000207455800021, title = {Analysis of mitochondrial DNA sequences in childhood encephalomyopathies reveals new disease-associated variants}, journal = {Plos One}, volume = {2}, number = {9}, year = {2007}, month = {SEP}, pages = {e942}, publisher = {PUBLIC LIBRARY SCIENCE}, type = {Article}, address = {185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA}, abstract = {

Background. Mitochondrial encephalomyopathies are a heterogeneous group of clinical disorders generally caused due to mutations in either mitochondrial DNA (mtDNA) or nuclear genes encoding oxidative phosphorylation (OXPHOS). We analyzed the mtDNA sequences from a group of 23 pediatric patients with clinical and morphological features of mitochondrial encephalopathies and tried to establish a relationship of identified variants with the disease. Methodology/Principle Findings. Complete mitochondrial genomes were amplified by PCR and sequenced by automated DNA sequencing. Sequencing data was analyzed by SeqScape software and also confirmed by BLASTn program. Nucleotide sequences were compared with the revised Cambridge reference sequence (CRS) and sequences present in mitochondrial databases. The data obtained shows that a number of known and novel mtDNA variants were associated with the disease. Most of the non-synonymous variants were heteroplasmic (A4136G, A9194G and T11916A) suggesting their possibility of being pathogenic in nature. Some of the missense variants although homoplasmic were showing changes in highly conserved amino acids (T3394C, T3866C, and G9804A) and were previously identified with diseased conditions. Similarly, two other variants found in tRNA genes (G5783A and C8309T) could alter the secondary structure of Cys-tRNA and Lys-tRNA. Most of the variants occurred in single cases; however, a few occurred in more than one case (e. g. G5783A and A10149T). Conclusions and Significance. The mtDNA variants identified in this study could be the possible cause of mitochondrial encephalomyopathies with childhood onset in the patient group. Our study further strengthens the pathogenic score of known variants previously reported as provisionally pathogenic in mitochondrial diseases. The novel variants found in the present study can be potential candidates for further investigations to establish the relationship between their incidence and role in expressing the disease phenotype. This study will be useful in genetic diagnosis and counseling of mitochondrial diseases in India as well as worldwide.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0000942}, author = {Wani, Aijaz A. and Ahanger, Sajad H. and Bapat, Sharmila A. and Rangrez, Ashraf Y. and Hingankar, Nitin and Suresh, C. G. and Barnabas, Shama and Patole, Milind S. and Shouche, Yogesh S.} } @article { ISI:000243725800029, title = {Anticorrosive properties of electrosynthesized poly(o-anisidine) coatings on copper from aqueous salicylate medium}, journal = {Journal of Physics D-Applied Physics}, volume = {40}, number = {2}, year = {2007}, month = {JAN}, pages = {520-533}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Poly( o-anisidine) ( POA) coatings were electrosynthesized on copper ( Cu) from an aqueous solution containing o-anisidine and sodium salicylate by using cyclic voltammetry, galvanostatic and potentiostatic modes. The extent of corrosion protection offered by these coatings to Cu in aqueous 3\% NaCl solution was evaluated by the open circuit potential measurements, potentiodynamic polarization technique and electrochemical impedance spectroscopy. Potentiodynamic polarization and electrochemical impedance spectroscopy studies reveal that the POA acts as a protective layer on Cu against corrosion in 3\% NaCl solution. The positive shift in the corrosion potential for the POA-coated Cu indicates the protection of the Cu surface by the POA. The POA coating synthesized by using cyclic voltammtery, galvanostatic and potentiostatic modes reduces the corrosion rate of Cu almost by a factor of 100, 100 and 7, respectively. The cyclic voltammetry was proved to be the better mode to adopt for the synthesis of more compact and strongly adherent POA coatings on Cu. The coatings synthesized by this mode were characterized by cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared spectroscopy and scanning electron microscopy. It was found that the electrochemical polymerization of o-anisidine on Cu takes place after the passivation of its surface via the formation of Cu2O and/or copper salicylate complex and results in the generation of shiny, uniform and strongly adherent POA coatings. The optical absorption spectroscopy reveals the formation of the emeraldine salt form of POA. The results of this study clearly ascertain that the POA has outstanding potential to protect Cu against corrosion in a chloride environment.

}, issn = {0022-3727}, doi = {10.1088/0022-3727/40/2/028}, author = {Chaudhari, Sudeshna and Sainkar, S. R. and Patil, P. P.} } @article { ISI:000244470700005, title = {Asymmetric synthesis of (R)-(-)-baclofen via asymmetric dihydroxylation}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {46}, number = {2}, year = {2007}, month = {FEB}, pages = {326-330}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

A short and efficient asymmetric synthesis of (R)-(-)-baclofen, a selective GABA(B) agonist has been described with an overall yield of 14\% and 85\% ee. The Os-catalyzed Sharpless asymmetric dihydroxylation of alpha,beta-unsaturated olefin constitutes the key step in introducing stereogenic centers into the molecule.

}, keywords = {asymmetric dihydroxylation, baclofen, cyclic sulfate, gamma-aminobutyric acid, Parkinsons{\textquoteright} disease}, issn = {0376-4699}, author = {Thakur, V. V. and Paraskar, A. S. and Sudalai, A.} } @article { ISI:000243627100004, title = {Attempt at taxonomical characterization of some Rhizobial species by intact cell MALDI mass spectrometry}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {23}, number = {2}, year = {2007}, month = {FEB}, pages = {177-185}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

In the present study an attempt was made to exploit the benefit of intact cell MALDI mass spectrometry (ICM-MS) in bringing out similarities and differences among some Rhizobium species and a species of Agrobacterium based on specific mass:charge (m/z) values. Rhizobium species isolated from the root nodules of selected leguminous plants were analysed by ICM-MS. The spectra were acquired in the range of 500-10,000 Da yielding several peaks specific to each species. The peaks obtained corresponded to the respective bacterial cell surface molecules which were desorbed during matrix-assisted laser desorption ionization. The number of peaks were more in the range of 500-1200 Da. Dice similarity coefficient analysis of m/z values indicated that Rhizobium species isolated from Trigonella foenum-graecum and Pisum arvense showed more similarity than any other species. Agrobacterium species did show a few common m/z values in comparison with other Rhizobium species. This clearly shows that Agrobacterium is closely related to Rhizobium. Eventually, ICM-MS technique offers clear, distinct, and consistent results for replicates, in less than an hour{\textquoteright}s time, therefore this technique has high potential in molecular taxonomy.

}, keywords = {ICM-MS, legume, molecular taxonomy, Rhizobium, symbiotic}, issn = {0959-3993}, doi = {10.1007/s11274-006-9207-4}, author = {Prabhu, R. R. and Kulkarni, Mahesh J. and Parasharami, V. A. and Santhakumari, B. and Paranjape, S.} } @article {42765, title = {Au nanoparticle templated synthesis of pNIPAm nanogels}, journal = {Chemistry of Materials}, volume = {19}, year = {2007}, month = {JAN}, pages = {719-726}, type = {Article}, doi = {10.1021/cm061878d}, author = {Singh, Neetu and Lyon, L. Andrew} } @article { ISI:000252511300020, title = {Bacterial enzyme mediated biosynthesis of gold nanoparticles}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {7}, number = {12}, year = {2007}, month = {DEC}, pages = {4369-4377}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Development of synthesis methods for anisotropic metal nanoparticles is of considerable interest due to their remarkable optoelectronic properties. Various shapes ranging from rods to cubes to tetrapods and prisms may be obtained by chemical methods. Here we show that anisotropic gold nanoparticles can be synthesized biologically by the bacterium Actinobacter spp. when challenged with gold chloride in the presence of Bovine serum albumin (BSA). We also observed that synthesis of gold nanoparticles occur with simultaneous induction of the protease enzyme secreted by the bacterium in the presence of BSA. The presence of BSA helps to enhance the rate of gold nanoparticles biosynthesis and may also impart some shape control. Controlling simple experimental conditions like incubation temperature and presence or absence of oxygen have drastic effect on the reaction rate and the morphology of the particles. Various assay experiments show that the presence of enzyme protease can act as a reducing as well as shape directing agent.

}, keywords = {Biosynthesis, bovine serum, gold nanoparticles}, issn = {1533-4880}, doi = {10.1166/jnn.2007.891}, author = {Bharde, Atul A. and Kulkarni, Aarohi and Rao, Mala and Prabhune, Asmita and Sastry, Murali} } @article { ISI:000245961800008, title = {Benzylsulfonic acid functionalized mesoporous Zr-TMS catalysts: an efficient and recyclable catalyst for the preparation of coumarin derivatives by pechmann condensation reaction}, journal = {Catalysis Communications}, volume = {8}, number = {5}, year = {2007}, month = {MAY}, pages = {777-783}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Benzylsulfonic acid functionalized mesoporous Zr-TMS (Zr-TMS-BSA, Zr-TMS, zirconia based transition metal oxide mesoporous molecular sieves) catalyst is used as an alternative to conventional acid catalysts in the von Pechmann condensation of aromatic alcohols with ethyl acetoacetate leading to the formation of coumarin derivatives in solvent free condition at 150 degrees C. Three types of coumarins, 7-hydroxy-4-methylcoumarin (beta-methylumbelliferone), 7-methoxy-4-methylcoumarin (Methyl-4-methylumbelliferyl ether) and 7,8-benzo-4-methylcoumarin derivatives have been prepared using resorcinol, 3-methoxyphenol and 1-naphthol, respectively. The catalytic activity and the recycle studies of the catalyst in all the three reactions proved the superior performance of the catalyst. Further the products were confirmed by GC, elemental analysis, melting point and NMR techniques. Finally, the probable mechanism for Pechmarm condensation using Zr-TMS-BSA catalyst has been reported. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {benzylsulfonic acid, Pechmann condensation and coumarins, Zr-TMS-BSA catalysts}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.08.039}, author = {Selvakumar, S. and Chidambaram, M. and Singh, A. P.} } @article { ISI:000245984200011, title = {Bile salt hydrolase, the member of Ntn-hydrolase family: differential modes of structural and functional transitions during denaturation}, journal = {IUBMB Life}, volume = {59}, number = {2}, year = {2007}, month = {FEB}, pages = {118-125}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Conformational transitions and functional stability of the bile salt hydrolase (BSH; cholylglycine EC: 3.5.1.24) from Bifidobacterium longum (BlBSH) cloned and expressed in E. coli were studied under thermal, chemical and pH-mediated denaturation conditions using fluorescence and CD spectroscopy. Thermal and Gdn-HCl-mediated denaturation of BlBSH is a multistep process of inactivation and unfolding. The inactivation and unfolding of the enzyme was found to be irreversible. Enzyme activity seems sensitive to even minor conformational changes at the active site. Thermal denaturation as such did not result in any insoluble protein aggregates. However, on treating with 0.25-1 M Gdn-HCl the enzyme showed increasing aggregation at temperatures of 40-55 degrees C indicating more complex structural changes taking place in the presence of chemical denaturants. The enzyme secondary structure was still intact at acidic pH (pH 1-3). The perturbation in the tertiary structure at the acidic pH was detected through freshly formed solvent exposed hydrophobic patches on the enzyme. These changes could be due to the formation of an acid-induced molten globule-like state.

}, keywords = {Aggregation, Bile salt hydrolase, molten-globule, Unfolding}, issn = {1521-6543}, doi = {10.1080/15216540701245014}, author = {Kumar, R. Suresh and Suresh, C. G. and Brannigan, James A. and Dodson, Guy G. and Gaikwad, Sushama M.} } @inbook {42771, title = {Bioconjugation of soft nanomaterials}, booktitle = {Biomedical Nanostructures}, year = {2007}, pages = {61-91}, publisher = {John Wiley \& Sons, Inc.}, organization = {John Wiley \& Sons, Inc.}, address = {Hoboken, NJ, USA.}, doi = {10.1002/9780470185834.ch4}, author = {Singh, Neetu and Blackburn, William H. and Lyon, L. Andrew} } @article { ISI:000249553200007, title = {Bio-milling technique for the size reduction of chemically synthesized BiMnO3 nanoplates}, journal = {Journal of Materials Chemistry}, volume = {17}, number = {37}, year = {2007}, month = {AUG}, pages = {3910-3914}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Wet- chemical techniques for the synthesis of complex oxide materials have advanced significantly; however, achieving finely dispersed nanoparticles with sizes less than 10 nm still remains challenging, especially for the perovskite family of compounds. On the other hand, a fungusmediated synthesis technique has recently shown potential to synthesize perovskites such as BaTiO3 with sizes as small as 5 nm. Here we report, for the first time, the use of fungal biomass, at room temperature, to break down chemically synthesized BiMnO3 nanoplates ( size similar to 150 - 200 nm) into very small particles (, 10 nm) while maintaining their crystalline structure and the phase purity. This novel technique that we have named as {\textquoteleft}{\textquoteleft} bio- milling{\textquoteright}{\textquoteright} holds immense potential for synergically utilizing both chemical and biological synthesis techniques to synthesize complex oxide nanoparticles with particle sizes less than 10 nm with the proper crystalline phase.

}, issn = {0959-9428}, doi = {10.1039/b706154d}, author = {Mazumder, Baishakhi and Uddin, Imran and Khan, Shadab and Ravi, Venkat and Selvraj, Kaliaperumal and Poddar, Pankaj and Ahmad, Absar} } @article { ISI:000243655000034, title = {Blocking effects in irreversible adsorption of linear macromolecules}, journal = {Surface Science}, volume = {601}, number = {1}, year = {2007}, month = {JAN}, pages = {274-279}, publisher = {ELSEVIER SCIENCE BV}, type = {JAN}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{A new variant of random sequential adsorption (RSA), namely random sequential ballistic adsorption (RSBA), is proposed to explore the possible role of blocking effects in the adsorption dynamics of ballistically arriving objects. These objects upon adsorption can protrude outside the substrate and in turn can obstruct and hence reject the adsorption of newly arriving objects. Adsorption of linear macromolecules (modeled as infinitesimally thin needles), on a two-dimensional continuum substrate is studied using RSBA model. It is shown analytically that in late time regime, the number n(t) of adsorbed objects at time t follows a power law n(t) similar to t(alpha), as in RSA, but with a different exponent

}, keywords = {Adsorption, adsorption kinetics, Monte Carlo simulations, random sequential adsorption (RSA)}, issn = {0039-6028}, doi = {10.1016/j.susc.2006.09.031}, author = {Shelke, Pradip B. and Banpurkar, Arun G. and Ogale, S. B. and Limaye, A. V.} } @article { ISI:000250456600004, title = {Bowman-birk protease inhibitor from the seeds of vigna unguiculata forms a highly stable dimeric structure}, journal = {Biochimica et Biophysica Acta-Proteins and Proteomics}, volume = {1774}, number = {10}, year = {2007}, month = {OCT}, pages = {1264-1273}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Different protease inhibitors including Bowman-Birk type (BBI) have been reported from the seeds of rigna unguiculata. Protease isoinhibitors of double-headed Bowman-Birk type from the seeds of Vigna unguiculata have been purified and characterized. The BBI from Vigna unguiculata (Vu-BBI) has been found to undergo self-association to form very stable dimers and more complex oligomers, by size-exclusion chromatography and SDS-PAGE in the presence of urea. Many BBIs have been reported to undergo self-association to form homodimers or more complex oligomers in solution. Only one dimeric crystal structure of a BBI (pea-BBI) is reported to date. We report the three-dimensional structure of a Vu-BBI determined at 2.5 A resolution. Although, the inhibitor has a monomer fold similar to that found in other known structures of Bowman-Birk protease inhibitors, its quaternary structure is different from that commonly observed in this family. The structural elements responsible for the stability of monomer molecule and dimeric association are discussed. The Vu-BBI may use dimeric or higher quaternary association to maintain the physiological state and to execute its biological function. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Bowman-Birk protease inhibitor, plant protease inhibitor, protein-protein interaction, Vigna unguiculata}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2007.07.009}, author = {Rao, K. N. and Suresh, C. G.} } @article { ISI:000249949800020, title = {Catalytic performances of silicotungstic acid/zirconia supported SBA-15 in an esterification of benzyl alcohol with acetic acid}, journal = {Journal of Molecular Catalysis A-Chemical }, volume = {276 }, number = {1-2}, year = {2007}, month = {OCT}, pages = {150-157}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Liquid phase esterification of benzyl alcohol (BA) to benzyl acetate (Peach fragrance) with an acetic acid (AA) has been investigated with 12-silicotungstic acid supported on zirconia embedded inside SBA-15 (STA/ZrO2/SBA- 15) as the catalyst. Catalysts were unambiguously characterized by XRD, N-2 adsorption-desorption, FF-IR pyridine adsorption techniques and the total amount of acidity of different STA loaded catalysts was estimated by TPD of NH3. The optimization of reaction conditions of an esterification of BA with AA was performed with 15 wt.\% STA/22.4 wt.\% ZrO2/SBA-15 calcined at 1123 K by varying catalyst concentration (1-10 wt.\% of reaction mixture); temperature, 353-383 K and AA:BA molar ratio as 0.5-3. The 15 wt.\% STA/22.4 wt.\% ZrO2/SBA-15 calcined at 1123 K was found to have the highest acidity and more active in the reaction. Under the optimized reaction conditions, the 15 wt.\% STA/22.4 wt.\%ZrO2/SBA-15 calcined at 1123 K gave 59\% BA conversion with selectivity for benzyl acetate as high as 96\% within 2 h of reaction time. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {12-silicotungstic acid, Benzyl acetate, Benzyl alcohol, Esterification, SBA-15}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.07.001}, author = {Sawant, Dhanashri P. and Vinu, A. and Justus, Josena and Srinivasu, P. and Halligudi, Shivaraj B.} } @article { ISI:000243819800025, title = {Central core of uprolides D and E: a survey of some ring closing metathesis approaches}, journal = {Tetrahedron Letter}, volume = {48}, number = {6}, year = {2007}, month = {FEB}, pages = {1013-1016}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A preliminary study dealing with the feasibility of ring closing metathesis and ene-yne ring closing metathesis to construct the central bicyclic cores of uprolides D and E was investigated. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {cembranolides, ene-yne metathesis, Ring closing metathesis, Sharpless asymmetric epoxidation, uprolides D and E}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.11.176}, author = {Ramana, C. V. and Salian, Sumanth R. and Gurjar, Mukund K.} } @article {52}, title = {Characterization and catalytic activity of cobalt containing MCM-41 prepared by direct hydrothermal, grafting and immobilization methods}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {266}, number = {1-2}, year = {2007}, month = {APR}, pages = {118-130}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{Cobalt containing hexagonal mesoporous molecular sieves (MCM-41) were prepared by different methods viz., direct hydrothermal synthesis, grafting and immobilization. The calcined material was characterized by various spectroscopic tools such as powder X-ray diffraction (XRD), N-2 adsorption-desorption isotherms, Fourier transformed infra-red (Fr-IR) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), diffuse reflectance UV-vis and X-ray photoelectron spectroscopy (XPS). The XRD patterns show the highly intense (100) reflection peak in the range 2-3 degrees (2 theta angle), characteristic of mesoporous material. Higher order reflection peaks suggest highly ordered mesoporous structure. N2 adsorption-desorption isotherms are of type IV according to IUPAC classification and the steep rise in the isotherms in the narrow range 3.5-4.5 of relative pressure (P/P-0) is due to the condensation of N-2 gas molecules in the pores (characteristic of mesoporous structure). In FT-IR increase in the intensity of band at 960 cm(-1) with the increase of the cobalt content in Co-MCM-41 samples indicate the incorporation of cobalt ions in the framework of MCM-41. SEM and TEM reveal spherical morphology for the cobalt substituted MCM-41. UV-vis spectra demonstrate the characteristic features of framework and extraframework cobalt in MCM-41. Cobalt is in +2 oxidation state as evidenced from UV-vis and XPS. The catalysts were tested for the side chain oxidation of ethylbenzene using 70 wt.\% tert-butyl hydrogen peroxide as an oxidant with and without the use of solvent. Solvents have effect in the catalytic activity and selectivity. In the absence of solvent, substituted cobalt [

}, keywords = {2-butanol, cyclohexanone, Mesoporous molecular sieves, MPV reduction}, issn = {1381-1169}, doi = { 10.1016/j.molcata.2006.09.031}, author = {Bhoware, Shrikant S. and Singh, A. P.} } @conference { ISI:000291657600157, title = {Chemoselective alkane oxidations by reactive superoxovanadium(V) species in vanadosilicate molecular sieves}, booktitle = {From ZEOLITES to Porous Mof Materials: The 40th Anniversary of International ZEOLITE Conference, Proceedings of The 15th International ZEOLITE Conference}, series = {Studies in Surface Science and Catalysis}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1205-1212}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {

Unlike their titanium analogs, vanadosilicate molecular sieves catalyze the oxidation of the terminal (primary) C-H bonds in paraffins. This dissimilarity is attributed to differences in the type of reactive superoxo species generated on contact with oxidant. The latter were identified and characterized by in situ EPR and DRUV-vis spectroscopic techniques. By a suitable choice of silicate structure (VS-1 or V-MCM-41), solvent and oxidant (H(2)O(2), tert.-butyl hydroperoxide or H(2)+O2()), the V-O bond covalency and mode of O-O bond cleavage in the oxo-species and thereby, the chemoselectivity in the oxidation of the terminal carbon atoms in paraffins could be controlled.

}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Srinivas, D. and Ratnasamy, P.}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article { ISI:000250698400015, title = {Cholesterol-linked beta-cyclodextrin - a thermotropic liquid-crystalline derivative}, journal = {Bulletin of the Chemical Society of Japan }, volume = {80}, number = {10}, year = {2007}, month = {OCT}, pages = {1975-1980}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

Liquid-crystalline derivative of ss-cyclodextrin (BCD) was prepared by covalent linking of monocholesteryl succinate (ChMS) with ss-cyclodextrin. To the best of our knowledge, this was first ever attempt so far of its kind, in which BCD has been converted into its liquid-crystalline derivative through covalent linkage of a mesogen. The degree of substitution (DS) obtained was approximate to 2.00. The product was characterized by various techniques, such as FT-IR, NMR, DSC, hot-stage-coupled optical polarizing microscopy (OPM), microanalysis and chemical methods. Cholesterol-linked ss-cyclodextrin (CDCh) derivative was found to exhibit thermotropic liquid-crystalline behavior. The product exhibited birefringence during first heating above 130 degrees C, and it became isotropic at about 180 degrees C, whereas the parent compound BCD decomposed without melting above 250 degrees C. A comparison of CDCh derivative to similar liquid-crystalline polysaccharide derivatives is presented.

}, issn = {0009-2673}, doi = {10.1246/bcsj.80.1975}, author = {Shaikh, Vasi Ahmed Ebrahim and Lonikar, Shrikant Vitthal and Dhoble, Deepa Arun and Pawar, G. M.} } @article { ISI:000244144700016, title = {Chromium-containing small pore mesoporous silicas: synthesis, characterization and catalytic behavior in the liquid phase oxidation of cyclohexane}, journal = {Applied Catalysis A-General}, volume = {318}, year = {2007}, month = {FEB}, pages = {128-136}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Organic-inorganic hybrid mesoporous silica materials containing chromium and various organo trialkoxysilanes (chloropropyl, vinyl, methyl) were prepared by the co-condensation method, in the presence of cetyl trimethyl ammonium surfactants. The hybrid material, containing chromium, retains one X-ray diffractogram (XRD) peak up to a molar ratio of 1: 1 between tetra ethyl orthosilicate (TEOS) and organosilane in the synthesis gel. Small pore mesoporous chromium-silica samples can be prepared from the large pore hybrid mesoporous chromium samples by calcination. By this method, the pore size of the material can be tailored into the supermicroporous region, without changing the chain length of the surfactant used in the assembly process, as judged from the XRD and N-2 sorption isotherms. The shrinkage in pore size is dependent on the nature and percentage of the organic pendant groups, such that the chloro propyl and vinyl pendant mesoporous material show more pore size shrinkage than the smaller methyl pendant units. Because of the tailorable pore size and with better textural characteristics, the chromium samples show better catalytic activity in the aerial oxidation reaction of cyclohexane than the conventional chromium-containing mesoporous material, like Cr-MCM-41, under a solvent free system. Among the porous chromium catalysts, the samples prepared using chloro propyl silane show higher cyclohexane conversion and cyclohexanone selectivity and behave as a true heterogeneous catalyst. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {chromium, Cyclohexane, Oxidation, small pore silicas}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.10.046}, author = {Shylesh, S. and Samuel, Prinson P. and Singh, A. P.} } @article {43396, title = {Comparative catalytic activity of Mn(Salen) complexes grafted on SBA-15 functionalized with amine, thiol and sulfonic acid groups for selective aerial oxidation of limonene}, journal = {Microporous and Mesoporous Materials}, volume = {104}, year = {2007}, month = {AUG}, pages = { 225-235}, abstract = {SBA-15 molecular sieves were functionalized with propylamine, propylthiol and propylsulfonic acid groups. Mn(Salen)Cl complexes were grafted on these organo-functionalized SBA-15. The support and the type of organo-functional group influenced the electronic structure (oxidation state and redox behavior) and chemo selectivity of the Mn-complexes in the oxidation of limonene. The Mn ions were reduced from +3 to +2, the extent of this reduction on different supports decreasing in the order: SBA- 15-pr-SH > SBA- 15-prSO(3)H > SBA-15-pr-NH2- Mn(Salen)Cl supported on propylthiol-functionalized SBA-15 yielded the 1,2-limonene epoxide with 100\% chemo- and regioselectivity. Higher electron density at the site of Mn ions and the consequent lower redox potential of the Mn-complexes on immobilization are the probable causes for their efficient and selective catalytic activity. Solvents, additives (N-MeIm) and co-reagents (iso-butyraldehyde), which facilitated formation of Mn2+ ions, enhance the catalytic activity. A part of the Mn complexes was leached out of the solid phase during the reaction and the extent of this with different catalysts decreased in the order: SBA-l5-pr-NH2-Mn(Salen)Cl > SBA- 15-pr-SO3H-Mn(Salen)Cl > SBA- 15-pr-SH-Mn(Salen)Cl. (C) 2007 Elsevier Inc. All rights reserved}, doi = {10.1016/j.micromeso.2007.02.026}, author = {Salkia, Lakshi and Srinivas, Darbha and Ratnasamy, Paul} } @article { ISI:000250092000010, title = {Confinement of nano CdS in designated glass: a novel functionality of quantum dot-glass nanosystems in solar hydrogen production}, journal = {Journal of Materials Chemistry}, volume = {17}, number = {40}, year = {2007}, month = {AUG}, pages = {4297-4303}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The present work is the investigation of our novel approach to designing quantum dot-glass nanosystems by confining nano CdS in designated glass and the first employment of such a quantum dot system in solar hydrogen production. The CdS quantum dots were grown in a special glass matrix, which involved a sequence of steps. The obtained glass was of uniformly bright yellow in color and the bulk glass was pulverized to a fine powder of micron size particles. The glass powder was characterized structurally and morphologically. X-Ray diffraction and electron diffraction patterns reveal a hexagonal crystallite system for the CdS quantum dots. Field emission scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, X-ray fluorescence spectroscopy and chemical leaching with HCl studies demonstrate that the 2.5 nm size CdS quantum dots distribute homogeneously in a monodispersed form in the glass domain and on the surface with a {\textquoteleft}{\textquoteleft}partially embedded exposure{\textquoteright}{\textquoteright} configuration. This disposition imparts an excellent photostability against photocorrosion and also a facile catalytic function. Therefore, even a very small amount of CdS quantum dots (0.005 g per gram of glass powder) is able to photodecompose H2S under visible light (lambda \>= 420 nm) both in alkaline and pure aqueous media and produce solar hydrogen with markedly high quantum yields of 17.5 and 11.4\%, respectively at 470 nm. Salient features like reusability after simple washing, corrosionless-stability and remarkable catalytic activity of this quantum dot-glass nanosystem are brought forth by our novel catalyst design and are much acclaimed in large scale solar H-2 production.

}, issn = {0959-9428}, doi = {10.1039/b708269j}, author = {Kale, Bharat B. and Baeg, Jin-Ook and Apte, Sanjay K. and Sonawane, Ravindra S. and Naik, Sonali D. and Patil, Kashinath R.} } @conference { ISI:000252146200027, title = {Constrained variational response to fock-space multi-reference coupled-cluster theory: formulation for excited-state electronic structure calculations and some pilot applications}, booktitle = {Computational Methods in Science and Engineering Vol 1: Theory and Computation: Old Problems and New Challenges}, series = {AIP CONFERENCE PROCEEDINGS}, volume = {963}, year = {2007}, note = {International Conference on Computational Methods in Science and Engineering, Corfu, GREECE, SEP 25-30, 2007}, month = {SEP}, pages = {337-344}, publisher = {European Soc Computat Methods Sci \& Engn; Minist Natl Educ \& Religious Affairs; E4 Comp Engn}, organization = {European Soc Computat Methods Sci \& Engn; Minist Natl Educ \& Religious Affairs; E4 Comp Engn}, address = {2 Huntington Quadrangle, Ste 1no1, Melville, NY 11747-4501 USA}, abstract = {

Fock-space (FS) multi-reference (MR) coupled-cluster (CC) method has emerged as compact tool to account for electronic structure of open-shell systems and molecules in low-lying excited states. Development of linear response (LR) has been one of the challenging problems in FSMRCC due to multiple-root nature of effective Hamiltonian. The recently developed constrained variational approach (CVA) has opened up a promising tool for efficient evaluation of analytic response properties. In this article, we present formulation of the method for excited state calculations. We discuss the decoupling of equations as a result of spin-adaptation and present some preliminary results for analytical dipole moments and polarizabilities of some molecules in low-lying triplet excited states.

}, keywords = {CVA, Dipole moment, excited states, FSMRCC, polarizability}, isbn = {978-0-7354-0477-9}, issn = {0094-243X}, author = {Manohar, Prashant Uday and Pal, Sourav}, editor = {Maroulis, G and Simos, TE} } @article { ISI:000251733600003, title = {Controlled covalent functionalization of multiwalled carbon nanotubes using [4+2] cycloaddition of benzocyclobutenes}, journal = {Chemistry of Materials}, volume = {19}, number = {26}, year = {2007}, month = {DEC}, pages = {6370-6372}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0897-4756}, doi = {10.1021/cm702470x}, author = {Sakellariou, Georgios and Ji, Haining and Mays, Jimmy W. and Hadjichristidis, Nikos and Baskaran, Durairaj} } @article {42731, title = {Convenient chromatography-free access to enantio-pure 6,6{\textquoteright}-di-tert-butyl-1,1{\textquoteright}- binaphthalene-2,2{\textquoteright}-diol- its 3,3{\textquoteright}-dibromo, di-tert-butyl and phosphorus derivatives: utility in asymmetric synthesis}, journal = {Tetrahedron-Asymmetry}, volume = {18}, year = {2007}, month = {SEP}, pages = { 2037{\textendash}2048}, type = {Article}, abstract = {

A simple chromatography-free high-yielding synthesis of the hexane-soluble enantiopure 6,6'-di-tert-butyl-1,1'-binaphthalene-2,2'-diol 3 (6,6'-di-tert-butyl BINOL) using Friedel{\textendash}Crafts reaction on 1,1'-binaphthalene-2,2'-diol 1 (BINOL) is described. The enantiomeric purity was fully maintained in the reaction. Compound 3 has been used as an entry point for the convenient chromatography-free synthesis of 3,3',6,6'-tetra-tert-butyl BINOL 4 and 3,3'-dibromo-6,6'-di-tert-butyl BINOL 5. A straightforward route to enantiopure bisphosphites [(6,6'-R2C20H10O2)P]2[O2C20H10-6,6'-R2] [R = H 15, t-Bu 16] by simply reacting phosphorochloridite (6,6'-R2C20H10O2)PCl [R = H 20, t-Bu 6] with metallic sodium is highlighted. The identity of 15 and 16 as their selenium-oxidized products 17 and 18 (at phosphorus center) is confirmed by X-ray crystallography (17 in the enantiopure form and 18 as racemate). Various enantiopure phosphoramidites of the modified BINOL have been synthesized. It is established that even when the phosphoramidites derived from the unsusbstituted BINOL 1 fail to give an appreciable optical induction in the asymmetric reduction of acetophenone/phenacyl chloride, those derived from 3 do induce moderate chiral induction (up to 30\% ee in the case for acetophenone and 43\% ee in the case of phenacyl chloride), thus leaving scope for further improvement in ee for related reactions.

}, doi = {10.1016/j.tetasy.2007.06.028}, author = {Balaraman, Ekambaram and Swamy, K. C. Kumara} } @article { ISI:000249395500018, title = {Copolyesters based on poly(butylene terephthalate)s containing cyclohexyl and cyclopentyl ring: Effect of molecular structure on thermal and crystallization behavior}, journal = {Macromolecules}, volume = {40}, number = {19}, year = {2007}, month = {SEP}, pages = {6906-6915}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In an effort to understand the role of molecular structure on the thermal properties of polyesters and copolyesters, the following polyesters were synthesized: poly(1,4-cyclohexane dimethylene terephthalate) (PCT), poly(butylene-1,4-cyclohexane dicarboxylate) (PBCD), poly (1,3-cyclopentane dimethylene terephthalate) (PCPDT), and poly(butylene-1,3-cyclopentane dicarboxylate) (PBCP). PCT and PCPDT are semicrystalline polymers with crystallization and melting temperatures higher than poly(butylene terephthalate) (PBT). However, PBCD and PBCP have lower glass transition temperature than PBT. From these homopolymers a series of poly(butylene-co-1,4-cyclohexane dimethylene terephthalate) (P(BT-co-CT )), poly(butylene terephthalate-co-1,4cyclohexane dicarboxylate) (P(BT-co-BCD)), poly(butylene-co-1,3-cyclopentylene dimethylene) (P(BT-co-CPDT)), and poly(butylene terephthalate-co-1,3-cyclopentane dicarboyxlate) (P(BT-co-PBCP)) random copolyesters were synthesized for the first time, and their cocrystallization behavior was investigated using differential scanning calorimetry (DSC) and wide-angle X-ray diffraction (WAXD). The copolymers were found to be statistically random and crystallized in all compositions. The P(BT-co-CT) and (P(BT-co-CPDT) copolyesters exhibited typical eutectic behavior in melting and crystallization, which indicated isodimorphic cocrystallization behavior. On the other hand, in the case of P(BT-co-BCD) and P(BT-co-PBCP) copolymers, the melting and crystallization temperatures showed linear dependency with composition, indicating isomorphic-like crystallization behavior.

}, issn = {0024-9297}, doi = {10.1021/ma071272q}, author = {Sandhya, T. E. and Ramesh, C. and Sivaram, S.} } @article { ISI:000250064100040, title = {Copper phthalocyanine films deposited by liquid-liquid interface recrystallization technique (LLIRCT)}, journal = {Journal of Colloid and Interface Science}, volume = {315}, number = {2}, year = {2007}, month = {NOV}, pages = {747-752}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The simple recrystallization process is innovatively used to obtain the nanoparticles of copper phthalocyanine by a simple method. Liquid-liquid interface recrystallization technique (LLIRCT) has been employed successfully to produce small sized copper phthalocyanine nanoparticles with diameter between 3-5 nm. The TEM-SAED studies revealed the formation of 3-5 nm sized with beta-phase dominated mixture of alpha and beta copper phthalocyanine nanoparticles. The XRD, SEM, and the UV-vis studies were further carried out to confirm the formation of copper phthalocyanine thin films. The cyclic voltametry (CV) studies conclude that redox reaction is totally reversible one electron transfer process. The process is attributed to Cu(II)/Cu(I) redox reaction. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {Copper phthalocyanine, cyclic voltametry, nanoparticulate films}, issn = {0021-9797}, doi = {10.1016/j.jcis.2007.07.031}, author = {Patil, K. R. and Sathaye, S. D. and Hawaldar, Ranjit R. and Sathe, B. R. and Mandale, A. B. and Mitra, A.} } @article { ISI:000249564600009, title = {Copper(II) ion exchanged A1SBA-15: a versatile catalyst for intermolecular hydroamination of terminal alkynes with aromatic amines}, journal = {Journal of Catalysis}, volume = {250}, number = {2}, year = {2007}, month = {SEP}, pages = {274-282}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The hydroarnination reaction offers a very attractive route for the synthesis of alkylated amines and their derivatives with no byproduct formation. AISBA-15 was synthesized by isomorphous substitution of aluminum into the framework of SBA-15, which induces the Bronsted acid sites, and these were exchanged with metal ions such as Cu2+, Zn2+, and Pd2+. The catalysts were characterized by XRD, N-2-sOrption, SEM, TEM, acidity measurements by FT-IR pyridine adsorption, H-2-TPR, (27)AI MAS NMR, and Si-29 MAS NMR. Hydroamination of phenylacetylene (PhAc) with 2,4-xylidine has been used as a test reaction, which gave N-(1-phenylethylidene)-2,4-dimethylaniline with no byproduct formation. CuAlSBA-15 and CuAIMCM-41 showed around three times greater activity in hydroamination of PhAc compared with Cu-clay and Cu-beta, due to the moderate Lewis acidity of Cu2+ present in mesoporous supports. The performance of the CuAlSBA-15 was also determined with different alkynes and amines to evaluate the catalyst{\textquoteright}s general applicability in hydroamination reactions. (c) 2007 Elsevier Inc. All rights reserved.

}, keywords = {A1SBA-15, addition, alkyne, Amine, Copper catalyst, heterogeneous, hydroamination, ion exchange, Mesoporous}, issn = {0021-9517}, doi = {10.1016/j.jcat.2007.06.007}, author = {Shanbhag, Ganapati V. and Joseph, Trissa and Halligudi, Shivaraj B.} } @article { ISI:000244008300030, title = {Co-precipitation technique to prepare BaTa2O6}, journal = {Ceramics International}, volume = {33}, number = {2}, year = {2007}, month = {JAN}, pages = {297-299}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A mixture of ammonium oxalate and ammonium hydroxide was used to co-precipitate barium and tantalum ions as barium oxalate and tantalum hydroxide under basic conditions. On calcination at 750 degrees C, this precursor yielded BaTa2O6 (BT) ceramics. This is much lower temperature as compared to that prepared by traditional solid-state method (1000 degrees C) as reported for the formation of BaTa206. Transmission electron microscope (TEM) investigations revealed that the average particle size is 70 nm for the calcined powders. The room temperature dielectric constant at 1 kHz is found to be 100. (c) 2005 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {barium tantalate, Ceramics, Electron microscopy, Oxides, X-ray diffraction}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2005.08.012}, author = {Navale, S. C. and Samuel, Violet and Gaikwad, A. B. and Ravi, V.} } @article { ISI:000246158300001, title = {Coprecipitation technique to prepare CoTa2O6 and CoNb2O6}, journal = {Materials Letter}, volume = {61}, number = {11-12}, year = {2007}, month = {MAY}, pages = {2127-2129}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An aqueous solution of sodium hydroxide was used to coprecipitate cobalt and tantalum (or niobium) ions from their precursors as hydroxides under basic conditions. This precipitate yielded CoTa2O6 (CT) or CoNb2O6 (CN) ceramics on calcining at 700 degrees C, i.e. at a temperature much lower than 900 degrees C, reported for the formation of these powders prepared by the traditional solid state method. The X-ray diffraction (XRD) studies were employed to investigate phase contents and lattice parameters. The morphology of the synthesized powders was investigated by transmission electron microscopy (TEM). (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, electronic materials, Oxides, X-ray methods}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.08.024}, author = {Mulla, Imtiaz S. and Natarajan, N. and Gaikwad, A. B. and Samuel, V. and Guptha, U. N. and Ravi, V.} } @article { ISI:000246158300058, title = {Coprecipitation technique to prepare NiNb2O6}, journal = {Materials Letter}, volume = {61}, number = {11-12}, year = {2007}, month = {MAY}, pages = {2354-2355}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A mixture of ammonium carbonate and ammonium hydroxide was used to coprecipitate nickel and niobium ions as nickel carbonate and niobium hydroxide under basic conditions. This precursor yielded NiNb2O6 (NN) ceramics on calcining at 700 degrees C (at a temperature lower than 800 degrees C which is necessary for the formation of NiNb2O6 when prepared by the traditional solid state method). The average particle size and morphology of these powders were investigated by transmission electron microscope (TEM). (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, Electron microscopy, electronic materials, Oxides, X-ray methods}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.09.010}, author = {Samuel, V. and Gaikwad, A. B. and Jadhav, A. D. and Natarajan, N. and Ravi, V.} } @article { ISI:000247076200015, title = {Cross- and axial-peak intensities in 2D-SLF experiments based on cross-polarization - the role of the initial density matrix}, journal = {Journal of Magnetic Resonance}, volume = {185}, number = {2}, year = {2007}, month = {APR}, pages = {308-317}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Simulations and experiments on simple oriented systems have been used to estimate the relative ratio of cross-peak to axial-peak intensities in 2D-SLF experiments based on dipolar oscillations during cross-polarization (CP). The density matrix prior to dipolar evolution is considered and for an isolated spin pair, it is shown that direct calculations of the ratios match well with simulations and experimental results. Along with the standard CP pulse sequence, two other pulse sequences namely CP with polarization inversion (PI-CP) and another novel variation of the standard CP experiment (EXE-CP) reported recently have been considered. Inclusion of homonuclear dipolar coupling has been observed to increase the axial-peak intensities. In combination with Lee-Goldburg (LG) decoupling, experiments on an oriented liquid crystalline sample have been carried out and the performance of the pulse schemes have been compared. The applicability of the new pulse sequence for different samples and different nuclei is discussed. Such studies are expected to lead to a better understanding of the experiments and to the design of useful pulse sequences. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {cross polarization, oriented molecules, PISEMA, SLF}, issn = {1090-7807}, doi = {10.1016/j.jmr.2007.01.007}, author = {Das, Bibhuti B. and Ajithkumar, Thalasseril G. and Sinha, Neeraj and Opella, Stanley J. and Ramanathan, K. V.} } @article { ISI:000244983400014, title = {Cross-linking assessment after accelerated ageing of ethylene propylene diene monomer rubber}, journal = {Polymer Degradation and Stability }, volume = {92}, number = {3}, year = {2007}, month = {MAR}, pages = {457-463}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The ageing of filled and cross-linked ethylene propylene diene elastomer (EPDM) has been studied under accelerated UV irradiation (lambda \>= 290 nm) at 60 degrees C, thermal ageing at 100 degrees C and in nitric acid vapours for different time intervals. Hardness measurements were performed. DSC-thermoporosimetry was used to estimate the mesh size distribution and cross-linking densities for each ageing. The development of functional groups was monitored by ATR spectroscopy. An increase in oxidation with exposure time after the different types of ageing was observed. The thermal stability of EPDM was assessed by TGA and evolved volatile gases were identified using FTIR spectroscopy. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {ageing, EPDM, Oxidation, thermal analysis, thermoporosimetry}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2006.11.013}, author = {Tomer, N. S. and Delor-Jestin, Florence and Singh, R. P. and Lacoste, Jacques} } @article { ISI:000244470700006, title = {Cu(OTf)(2) catalyzed high yield synthesis of hantzsch 1,4-dihydropyridines}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {46}, number = {2}, year = {2007}, month = {FEB}, pages = {331-335}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Copper(II) triflate catalyzes efficiently the three-component condensation of aldehydes, beta-ketoesters and ammonium acetate in acetonitrile at 25 degrees C to afford the corresponding Hantzsch 1,4-dihydropyridines in high yields.

}, keywords = {4-dihydropyridines, anti-hypertensive drug, calcium channel blockers, cardiovascular diseases, Hantzsch 1, three-component condensation}, issn = {0376-4699}, author = {Paraskar, Abhimanyu S. and Sudalai, Arumugam} } @article { ISI:000250636200009, title = {Decomposition and/or hydrogenation of hydrogen peroxide over Pd/Al2O3 catalyst in aqueous medium: factors affecting the rate of H2O2 destruction in presence of hydrogen}, journal = {Applied Catalysis A-General}, volume = {332}, number = {1}, year = {2007}, month = {NOV}, pages = {70-78}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Hydrogen peroxide destruction by its decomposition and/or hydrogenation to water in the presence of H-2 over Pd(5 wt.\%)/Al2O3 catalyst in an aqueous reaction medium, similar to that used in the H-2-to-H2O2 oxidation, has been thoroughly investigated at different reaction conditions. The H2O2 destruction is strongly influenced by the oxidation state of Pd in the catalyst and also by the presence of different halide anions (viz. F-, Cl-, Br- and I-) in the acidic aqueous medium or in the catalyst, depending upon the concentration of halide anions. The cations associated with halide anions have, however, a little or no influence on the H2O2 destruction. The iodide anions strongly poisoned the catalyst, even at their very low concentration. The fluoride anions have only a small effect on the H2O2 destruction. The chloride or bromide anions drastically inhibit the rapid H2O2 decomposition, but promote the slower H2O2 hydrogenation. The H2O2 destruction reactions are strongly influenced by the halide anion and acid concentrations. The presence of acid (protons) plays a very important role in drastically reducing the H2O2 destruction, particularly in the presence of chloride anions. Both in the presence and absence of Cl- or Br- anions, the H2O2 destruction activity of the catalyst is markedly reduced because of the oxidation of Pd but it is drastically increased due to the presence of H-2. A plausible reaction mechanism for the rapid H2O2 decomposition and slower H2O2 hydrogenation reactions, prevailing under the different reaction conditions, has also been discussed. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {decomposition of H2O2, halide anions as catalyst promoter or indicator, Hydrogen peroxide, hydrogenation of H2O2, Pd/Al2O3}, issn = {0926-860X}, doi = {10.1016/j.apeata.2007.08.004}, author = {Choudhary, Vasant R. and Samanta, Chanchal and Jana, Prabhas} } @article { ISI:000246282600007, title = {Density functional static dipole polarizability and first-hyperpolarizability calculations of Na-n (n=2, 4, 6, 8) clusters using an approximate CPKS method and its comparison with MP2 calculations}, journal = {Journal of Chemical Theory and Computation}, volume = {3}, number = {3}, year = {2007}, month = {MAY}, pages = {716-727}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{We report the static dipole polarizability and first-hyperpolarizability of the sodium atom clusters, Na-n

}, issn = {1549-9618}, doi = {10.1021/ct6003627}, author = {Sophy, K. B. and Calaminici, Patrizia and Pal, Sourav} } @article { ISI:000249329300010, title = {Deprotonation of 1,2-dialkylpyridinium ions: a DFT study of reactivity and site selectivity}, journal = {Journal of Physical Chemistry A}, volume = {111}, number = {36}, year = {2007}, month = {SEP}, pages = {8823-8828}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A site-selectivity model, based on the Fukui function as a local reactivity descriptor, has been applied to 1.2-disubstituted pyridinium ions incorporating two competing sites of similar reactivity, i.e., 1-methylene and 2-methylene, which may undergo deprotonation depending on the nature of substituent present on these moieties. Applicability of the local HSAB rule, in context with the Li-Evans{\textquoteright} generalized HSAB principle suggesting the hard-hard interactions to be controlled by minimum Fukui function, has been illustrated. Global and local reactivity descriptors have been computed by carrying out DFT calculations at B3LYP/6-31++G** level using Mulliken and NPA methods for charge analysis. A comparison with the calculated deprotonation energies involving two sites indicates that the observed site selectivity in differently substituted pyridinium ions is better explained by the Li-Evans rule of minimum Fukui function for hard-hard interactions.

}, issn = {1089-5639}, doi = {10.1021/jp072812o}, author = {Gupta, Neelima and Garg, Reena and Shah, Kirti Kr. and Tanwar, Akhilesh and Pal, Sourav} } @article { ISI:000242468700017, title = {Development of transdermal drug-delivery films with castor-oil-based polyurethanes}, journal = {Journal of Applied Polymer Science}, volume = {103}, number = {2}, year = {2007}, month = {JAN}, pages = {779-788}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Two different types of polyurethanes (PUs) were prepared with castor oil, ethylene glycol, isophorene diisocyanate and castor oil, and isophoren diisocyanate and poly(ethylene glycol) (400 or 600). PU films were prepared and characterized by Fourier transform infrared spectroscopy, differential scanning calorimetry, and gel permeation chromatography. We prepared transdermal patches by loading different amounts of drug, plasticizer, and penetration enhancer. In vitro drug permeability through the castor-oil-based aliphatic PU patches was examined with a Keshary-Chien diffusion cell. The effect of castor oil on the film-forming properties and the effect of penetration enhancers on diffusion characteristics of indomethacin (IDM) drug through the castor-oil-based PU were investigated. Prolonged release of IDM was observed from the prepared PU patches. In vitro drug diffusion revealed that slow and prolonged release of IDM was achieved in the absence of penetration enhancers. The use of penetration enhancers showed a significant effect on drug diffusion. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {castor oil, drug delivery, polyurethane, transdermal}, issn = {0021-8995}, doi = {10.1002/app.25070}, author = {Shelke, Namdev B. and Sairam, Malladi and Halligudi, Shivaraj B. and Aminabhavi, Tejraj M.} } @article {AYC:AYCHJ3047, title = {Different interaction motifs of dipolar S = O center dot center dot center dot C = O contacts that associate diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-{[(1S)-7,7-dimethyl-2-oxo-bicyclo[2.2.1]heptan-1-ylmethyl]-sulfonyl}-myo-inositol 1,3,5-ortho-acetate}, journal = {Acta Crystallographica Section C-Structural Chemistry}, volume = {63}, number = {9}, year = {2007}, month = {SEP}, pages = { O555-O558}, publisher = {Blackwell Publishing Ltd}, type = {Article}, abstract = {

Diastereomeric mixtures of 2,4(6)-di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoesters associate in their crystal structures via different geometries of S=O...C=O short contacts, depending upon the substitution. A comparison of the dimeric association in the orthoacetate and orthoformate (solvated) derivatives shows a sheared parallel motif of dipolar S=O...C=O contacts bridging the former, whereas perpendicular S=O...C=O contacts occur in the latter. The title compound, C32H34O11S, is chiral, owing to the presence of the camphor moiety.

}, issn = {1600-5759}, doi = {10.1107/S0108270107035858}, author = {Manoj, Kochunnoonny and Gonnade, R. G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000244006000001, title = {Direct comparison of the aging and memory effects of magnetic nanoclusters and nanoparticles}, journal = {Solid State Communications}, volume = {141}, number = {6}, year = {2007}, month = {FEB}, pages = {307-310}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The magnetic characteristics of a dense magnetic nanoparticle system and a spin glass system consisting of magnetic nanoclusters are compared. Zero field cooled and field cooled magnetization measurements, including aging and memory experiments, of the nanoparticle and the magnetic cluster systems show similar characteristics, suggesting a common origin for the spin glass-type behavior of the magnetic nanoparticle and nanocluster systems. (C) 2006 Published by Elsevier Ltd.

}, keywords = {Magnetic nanoparticles, magnetic properties, spin glasses}, issn = {0038-1098}, doi = {10.1016/j.ssc.2006.11.015}, author = {Sankar, C. Raj and Vijayanand, S. and Verma, Seema and Joy, Pattayil Alias} } @article { ISI:000251208900068, title = {Direct formation of H2O2 from H-2 and O-2 and decomposition/hydrogenation of H2O2 in aqueous acidic reaction medium over halide-containing Pd/SiO2 catalytic system}, journal = {Catalysis Communications}, volume = {8}, number = {12}, year = {2007}, month = {DEC}, pages = {2222-2228}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Formation of H2O2 from H-2 and O-2 and decomposition/hydrogenation of H2O2 have been studied in aqueous acidic medium over Pd/SiO2 catalyst in presence of different halide ions (viz. F-, Cl- and Br-). The halide ions were introduced in the catalytic system via incorporating them in the catalyst or by adding into the reaction medium. The nature of the halide ions present in the catalytic system showed profound influence on the H2O2 formation selectivity in the H-2 to H2O2 oxidation over the catalyst. The H2O2 destruction via catalytic decomposition and by hydrogenation (in presence of hydrogen) was also found to be strongly dependent upon the nature of the halide ions present in the catalytic system. Among the different halides, Br- was found to selectivity promote the conversion of H-2 to H2O2 by significantly reducing the H2O2 decomposition and hydrogenation over the catalyst. The other halides, on the other hand, showed a negative influence on the H2O2 formation by promoting the H-2 combustion to water and/or by increasing the rate of decomposition/hydrogenation of H2O2 over the catalyst. An optimum concentration of Br- ions in the reaction medium or in the catalyst was found to be crucial for obtaining the higher H2O2, yield in the direct synthesis. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Br- catalyst promoter, direct H2O2 formation, H2O2 decomposition, Pd/SiO2 catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.05.007}, author = {Samanta, Chanchal and Choudhary, Vasant R.} } @article { ISI:000244798300028, title = {Direct hydrothermal synthesis of mesoporous Sn-SBA-15 materials under weak acidic conditions}, journal = {Microporous and Mesoporous Materials}, volume = {100}, number = {1-3}, year = {2007}, month = {MAR}, pages = {210-226}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A direct synthetic route for the preparation of Sn-SBA-15 materials with n(Si)/n(Sn), ratios ranging from 100 to 10 under milder acidic conditions than normally employed for the preparation of Si-SBA-15 is reported. The changes in the pH conditions of the gel were made through an adjustment of the molar ratio of n(H2O) to n(HCl) (\< 1 pH \< 2) during preparation. The samples prepared under three different acidic conditions have been characterized by various techniques. An expansion of the lattice (powder XRD) and an increase in mesopore area (low temperature N-2 adsorption) indicate that the hexagonal structure of the SBA- 15 is maintained with no loss of long range ordering. The UV-vis reflectance spectra of Sn-SBA-15 samples show the presence of Sn4+ ions both in tetrahedral and octahedral environment. Si-29 MAS NMR spectra of samples prepared under an intermediate acid condition show the presence Of Q(3) and Q(4) species. Their ratio increases with a decrease in tin content. The presence of Si in (2Si, 2Sn) i.e., Q(2) environment may point to incorporation of considerable Sn4+ ions in tetrahedral positions. Sn-Mossbauer spectroscopic studies reveal that Sn2+ species form upon reductive treatments and can probably be stabilized in the pore wall upon reoxidation. This to some extent is an indication of the formation and stabilization of Si-O-Sn-O-Si linkages in Sn-SBA-15. A progressive increase in the pH of the medium (increasing the n(H2O) to n(HCl), ratio) results in the location of Sn4+ ions, (a) at the surface of the mesopores (surface of the corona region) as a thin film of SnO2 or small aggregates (loss in mesopore area) depending on the concentration of Sn; (b) at the walls of the mesopore structure, substituting Si4+ ions (some lattice expansion and tetrahedral Sn4+ ions); and/or (c) as a part of the corona region, neutralizing the resulting Si-OH groups (a loss of micropore area and octahedral Sn4+ ions). The studies reveal that the method of preparation, n(H2O)/n(HCl) ratio and the n(Si)/n(Sn) ratio (concentration of SnCl4) of the gel significantly influence the type of tin species in the resulting Sn-SBA-15 samples. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {direct synthesis of Sn-SBA-15, Si-29 and Sn-119 MAS-NMR, Sn-mossbauer spectroscopic studies, Sn-SBA-15, tin-mesoporous silica}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.10.042}, author = {Shah, P. and Ramaswamy, A. V. and Lazar, Karoly and Ramaswamy, Veda} } @article { ISI:000251244900026, title = {Direct oxidation of hydrogen to hydrogen peroxide over Pd (or PdO)/Al2O3 in aqueous reaction medium: influence of different acids and halide anions in reaction medium on formation and destruction of H2O2}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {25}, year = {2007}, note = {Joint 6th International Symposium on Catalysis in Multiphase Reactors/5th International Symposium on Multifunctional Reactors (CAMURE-6/ISMR-5-), Pune, INDIA, JAN 14-17, 2007}, month = {DEC}, pages = {8566-8573}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Effects of different mineral acids (viz. H2SO4, H3PO4, HNO3, HCl, HBr, and HI), acid (H3PO4) concentration, different halide anions (viz. F-, Cl-, Br-, and I-), and halide anion concentration in aqueous reaction medium on the H2O2 formation (in H-2-to-H2O2 oxidation) and/or on the H2O2 destruction (by H2O2 decomposition and hydrogenation) activities of Pd (or PdO)/Al2O3 catalyst (at 300 K and atmospheric pressure) have been thoroughly investigated. Among the different halide anions, Br- anions are most effective for promoting the H2O2 formation and inhibiting the H2O2 destruction by both the H2O2 decomposition and/or hydrogenation. The cations associated with the halide anions, however, have only a little or no influence on both the H2O2 formation and destruction. The concentration of the different halide anions has a strong influence on the H-2 conversion and H2O2 formation and destruction activities of the Pd/Al2O3. The H2O2 formation activity in the presence of Br- or Cl- anions is highest at the optimum concentration of halide (about 1.0 mmol/dm(3)). it is also highest at the optimum concentration of phosphoric acid (between 0.1 and 0.3 mol/dm(3)). In general, the H2O2 formation is increased with decreasing the H2O2 destruction activity of the catalyst, indicating a close relationship between the two. Br- anions act as an excellent catalyst promoter for Pd/Al2O3 catalyst, but they show only a small promoting effect for PdO/Al2O3 catalyst. The next choice for halide promoter for Pd/Al2O3 catalyst is Cl- anions. F- and I- anions are, however, catalyst inhibitor and strong poison, respectively, for the H2O2 formation. At the same concentration, Br- anions are more effective than Cl- anions for inhibiting the H2O2 destruction reactions over Pd/Al2O3 Catalyst. For both halide promoters (Cl- and Br-), the net H2O2 formation is controlled by the H2O2 hydrogenation rather than by the H2O2 decomposition.

}, issn = {0888-5885}, doi = {10.1021/ie061653c}, author = {Choudhary, Vasant R. and Ingole, Yugesh V. and Samanta, Chanchal and Jana, Prabhas} } @article { ISI:000242759500015, title = {Direct synthesis of H2O2 from H-2 and O-2 over Pd/H-beta catalyst in an aqueous acidic medium: influence of halide ions present in the catalyst or reaction medium on H2O2 formation}, journal = {Catalysis Communications}, volume = {8}, number = {1}, year = {2007}, month = {JAN}, pages = {73-79}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The influence of different halide ions present in the catalyst or reaction medium on the performance of Pd/H-beta catalyst in the direct H2O2 synthesis in an aqueous acidic (0.03 M H3PO4) reaction medium at 27 degrees C and atmospheric pressure has been thoroughly investigated. The results showed a strong influence of both the bulk Pd oxidation state in the catalyst and the halide ions added to the reaction medium on the performance of the catalyst in the H-2 to H2O2 oxidation, H2O2 decomposition/hydrogenation reactions. The different ammonium halides impregnated reduced Pd/H-beta catalyst calcined in inert (N-2) and oxidizing (air) gaseous atmospheres also revealed that the bulk Pd oxidation state and nature of the halide ions present in the catalyst together control the overall performance of the catalyst in the H2O2 formation reaction. The presence of halide ions in reaction medium or in the catalyst significantly changes the selectivity for H2O2 formation in the direct H2O2 synthesis. Bromide ions are found to remarkably enhance the H2O2 selectivity in the direct H2O2 synthesis irrespective of the Pd oxidation state in the catalyst. The promoting action of Br- is attributed mainly to the large decrease in the H2O2 decomposition and hydrogenation activities of the catalyst and also inhibition for the non-selective H-2-to-water oxidation over the catalyst. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {direct H2O2 synthesis, H-P supported Pd catalyst, H2O2 decomposition, H2O2 hydrogenation, promoting action of bromide ions}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.05.027}, author = {Samanta, Chanchal and Choudhary, Vasant R.} } @article { ISI:000249864300003, title = {Direct synthesis of H2O2 from H-2 andO(2) and decomposition/hydrogenation of H2O2 in an aqueous acidic medium over halide-modified Pd/Al(2)O3 catalysts}, journal = {Applied Catalysis A-General}, volume = {330}, year = {2007}, month = {OCT}, pages = {23-32}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Direct synthesis Of H2O2 from its elements was carried out in an acidic aqueous reaction medium over halide-modified oxidized and reduced Pd/ Al2O3 catalysts under very mild conditions (at 27 degrees C and atmospheric pressure). The halide ions were introduced into the catalyst by incorporating halide ions into supported Pd/gamma-Al2O3 catalyst or via depositing halide ions on the support (gamma-Al2O3) prior to Pd deposition. The H2O2 decomposition and hydrogenation over the corresponding catalysts were also carried out under the reaction conditions similar to those employed for the H2O2 synthesis in order to elucidate the factors strongly affecting the H2O2 yield/selectivity in the direct H2O2 process. The performance of halide-modified Pd/Al2O3 catalysts in the direct H2O2 synthesis revealed that halide insertion in the catalyst system prior to or after Pd deposition on the support had comparable qualitative effect on the H2O2 formation. Both the Pd oxidation state and the nature of the halide ions had strong influences on the H-2 conversion (in direct H2O2 Synthesis process) and H2O2 decomposition and/or hydrogenation reaction. While the effect of Pd oxidation state on the H2O2 formation was significant for the catalytic system containing F- and Cl- ions, the influence of the Pd oxidation state was found less important for the catalyst system containing Br- ions; the H2O2 formation selectivity increased significantly due to the presence of Br- ions, irrespective of the Pd oxidation state. The nature of the H2O2 destruction pathway (i.e. hydrogenation and/or decomposition) in the presence of hydrogen over halide-modified Pd/Al2O3 catalysts was found to be strongly dependent upon the nature of the halide ions incorporated in the catalyst during halide-modification of the catalyst. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {direct H2O2 synthesis, H2O2 decomposition, H2O2 hydrogenation, halide-modification, Pd oxidation state}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.06.030}, author = {Samanta, Chanchal and Choudhary, Vasant R.} } @article {42760, title = {Displacement-induced switching rates of bioresponsive hydrogel microlenses}, journal = {Chemistry of Materials}, volume = {19}, year = {2007}, month = {MAY}, pages = {2527-2532}, type = {Article}, doi = {10.1021/cm063086p}, author = {Kim, Jongseong and Singh, Neetu and Lyon, L. Andrew} } @article { ISI:000250610300004, title = {Diverse forms of pin-II family proteinase inhibitors from capsicum annuum adversely affect the growth and development of helicoverpa armigera}, journal = {Gene}, volume = {403}, number = {1-2}, year = {2007}, month = {NOV}, pages = {29-38}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Novel forms of Pin-II type proteinase inhibitor (PIs) cDNAs (CanPIs) having three or four inhibitory repeat domains (IRD) were isolated from the developing green fruits of Capsicum annuum. Deduced amino acid (aa) sequences of the CanPIs showed up to 15\% sequence divergence among each other or reported inhibitors (CanPI-1 AF039398, CanPI-2 AF221097). Amino acid sequence analysis of these CanPIs revealed that three IRD Pls have trypsin inhibitory sites, while four IRD CanPIs have both trypsin and chymotrypsin inhibitory sites. Four CanPIs, two having three IRD (CanPI-3 AY986465 and CanPI-5 DQ005912) and two having four IRD (CanPI-7 DQ005913 and CanPI-9 DQ005915), were cloned in Pichia pastoris to express recombinant CanPIs. Recombinant CanPIs inhibited 90\% of bovine trypsin (TI), while chymotrypsin inhibition (0) varied with the number of chymotrypsin inhibitory sites in the CanPIs. Recombinant inhibitors inhibited over 70\% of the gut proteinase activity of Helicoverpa armigera. H. armigera larvae fed on recombinant CanPIs individually incorporated into artificial diet, showed 35\% mortality; in addition, weight gain in H. armigera larvae and pupae was severely reduced compared to controls. Of the four CanPIs, CanPI-7, which has two sites for TI and CI, was the only one to have a consistently antagonistic effect on H. armigera growth and development. We conclude that among the four recombinant Pls tested, CanPIs containing diverse IRDs are best suited for developing insect-resistant transgenic plants. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {insect resistance, IP repeats, PI-insect interaction, Pichia pastoris, potato type 2 inhibitors (Pot-II), Solanaceae}, issn = {0378-1119}, doi = {10.1016/j.gene.2007.07.024}, author = {Tamhane, Vaijayantl A. and Giri, Ashok P. and Sainani, Mohini N. and Gupta, Vidya S.} } @article { ISI:000245599400011, title = {Effect of halogen addition to monolayer protected gold nanoparticles}, journal = {Journal of Materials Chemistry}, volume = {17}, number = {16}, year = {2007}, month = {FEB}, pages = {1614-1619}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The effects of N-halosuccinimide and halogen addition to monolayer protected gold nanoparticles (Au NPs) dispersed in organic media are described. Contrary to the expectation that nanoparticles dispersed in organic media are stable against aggregation, N-iodosuccinimide addition induced aggregation of octadecylamine capped gold nanoparticles in chloroform or toluene. It was observed that even KI and CuI addition could bring about the aggregation though they are very sparingly soluble in organic solvents. It was also found that even molecular iodine could bring about the above mentioned aggregation. Interestingly, when CuI is used the aggregated structures readily convert to very thin flat nanostructures upon exposure to an electron beam or UV irradiation. In fact when the aggregation is induced by the addition of KI or N-iodosuccinamide we do not see the flattening of the aggregated structures exemplifying the important role of Cu ions in making these flat structures.

}, issn = {0959-9428}, doi = {10.1039/b614934k}, author = {Singh, Sanjay and Pasricha, Renu and Bhatta, Umananda M. and Satyam, P. V. and Sastry, Murali and Bhagavatula L. V. Prasad} } @article { ISI:000246727900022, title = {Effect of pretreatment conditions on the catalytic activity of nano-sized TPA/ZrO2 dispersed in SBA-15 channels in acetylation reactions}, journal = {Microporous and Mesoporous Materials}, volume = {102}, number = {1-3}, year = {2007}, month = {MAY}, pages = {223-233}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Acetylation of an aromatic compounds such as veratrole (1,2-dimethoxybenzene), anisole, thioanisole, isobutyl benzene and 2-methoxynaphthalene with acetic anhydride has been investigated over a nano-sized 12-tungstophosphoric acid (TPA)/22.4 wt.\%ZrO2/SBA- 15 catalysts in the liquid phase conditions. Catalysts with different (\%) TPA and zirconia loadings calcined at different temperatures were prepared by wet-impregnation and characterized by XRD, N-2 adsorption-desorption, FT-Rarnan, X-ray photoelectron spectroscopy (XPS). The acidic behavior of the catalyst was studied by TPD of ammonia and FT-IR pyridine adsorption. Among the catalysts, 15 wt.\%TPA/22.4 wt.\%ZrO2/SBA- 15 calcined at 1123 K had the highest acidity and was the most active catalyst in veratrole acetylation with acetic anhydride. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {acetylation, SBA-15, TPA/ZrO2, veratrole, wet-impregnation}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.12.046}, author = {Sawant, Dhanashri P. and Hartmann, Martin and Halligudi, Shivaraj B.} } @article { ISI:000249607400033, title = {Efficient, eco-friendly process for aldol and Michael reactions of trimethylsilyl enolate over organic base-functionalized SBA-15 catalysts (vol 264, pg 146, 2007)}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {275}, number = {1-2}, year = {2007}, month = {SEP}, pages = {241}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.07.015}, author = {Srivastava, Rajendra} } @article { ISI:000251621900034, title = {Efficient organocatalytic route to the atorvastatin side-chain}, journal = {Tetrahedron Letter}, volume = {48}, number = {48}, year = {2007}, month = {NOV}, pages = {8544-8546}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An organocatalytic route to the synthesis of the atorvastatin side-chain, a building block present in the statin family, is described using L-proline-catalyzed alpha-aminooxylation of an aldehyde. The method also employs an iodine-induced intramolecular electrophilic cyclization of a carbonate to produce the iodocarbonate in a highly diastereoselective manner. (C) 2007 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.09.133}, author = {George, Shyla and Sudalai, Arumugam} } @article { ISI:000252094200024, title = {Efficient synthesis of 2,4-disubstituted thiazoles using ionic liquid under ambient conditions: a practical approach towards the synthesis of Fanetizole}, journal = {Tetrahedron }, volume = {63}, number = {45}, year = {2007}, month = {NOV}, pages = {11066-11069}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A highly efficient and rapid synthesis of 2-amino-4-arylthiazoles and 2-methyl-4-arylthiazole from alpha-bromoketone and thiourea/thioamide is described using room temperature ionic liquid at ambient conditions. The method is simple, rapid and practical, generating thiazole derivatives in excellent isolated yields. This protocol is utilized for a commercially feasible synthesis of an anti-inflammatory agent, Fanetizole. (c) 2007 Published by Elsevier Ltd.

}, keywords = {alpha-bromo ketone, ionic liquids, thiazoles, thiourea/thioamide}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.08.036}, author = {Potewar, Taterao M. and Ingale, Sachin A. and Srinivasan, Kumar V.} } @article { ISI:000241912700017, title = {Electrochromic device (ECD) cell characterization on electron beam evaporated MoO3 films by intercalating/deintercalating the H+ ions}, journal = {Current Applied Physics}, volume = {7}, number = {1}, year = {2007}, month = {JAN}, pages = {76-86}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Thin films of molybdenum oxide (MoO3) is one of the most interesting layered intercalation materials because of its excellent application in solid state batteries, large-area window and display systems. In recent years there has been considerable interest in variable transmittance electrochromic devices (ECD) based on Li+, H+ and K+ intercalation in transition metal oxide (MoO3) thin films. In the present investigation, thin films of MoO3 were prepared by electron beam evaporation technique on microscopic glass and fluorine doped tin oxide (FTO) coated glass substrates for the application in electrochromic device cells. The compositional stoichiometry of the films was studied by X-ray photoelectron spectroscopy (XPS). The electrochromic nature of the films has been analyzed by inserting H+ ions from the H2SO4 electrolyte solution using the cyclic-voltammetry (CV) technique. We studied the electrochromic device cells (ECD) incorporating an evaporated MoO3 thin films as electrochromic layers. The devices exhibit good optical properties with low transmittance values in the colored state, which make them suitable for large-area window applications. The maximum coloration efficiency of the cell was observed at about 70 cm(2)/c. (c) 2005 Published by Elsevier B.V.

}, keywords = {coloration efficiency, electrochromic device cells, molybdenum oxide thin films, optical density, stoichiometry}, issn = {1567-1739}, doi = {10.1016/j.cap.2005.12.001}, author = {Sivakumar, R. and Gopinath, Chinnakonda S. and Jayachandran, M. and Sanjeeviraja, C.} } @article { ISI:000243492800021, title = {Enantiomeric separation of novel anticancer agent 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-cyclopent-2-en- 1-one}, journal = {Journal of Chromatography A}, volume = {1138}, number = {1-2}, year = {2007}, month = {JAN}, pages = {184-189}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The enantiomers of 5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-cyclopent-2-en- 1-one, a novel anticancer agent, were separated by derivatisation with caronaldehyde, separation of the resulting diastereoisomers of the corresponding esters by silica gel column chromatography and regeneration of alcohols (S)-5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-cyclopent-2 -en-1-one and (R)5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-cyclopent-2- en- 1-one under aqueous conditions. The absolute configuration of the enantiomers was determined by H-1 NMR studies of the corresponding Mosher esters. Alternatively, the enantiomers were separated by preparative HPLC to collect the (S)- and (R)-5-hydroxy-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-cyclopent-2 -en-1-ones with high purity which was comparable with that obtained by the chemical method. The details of these methods have been presented herein. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Anticancer, column chromatography, diaryl cyclopentenone, diastereoisomers, enantioseparation, HPLC, Resolution}, issn = {0021-9673}, doi = {10.1016/j.chroma.2006.10.076}, author = {Shinde, Popat D. and Jadhav, Vinod H. and Borate, Hanumant B. and Bhide, Sunil R. and Sonawane, Kiran B. and Wakharkar, Radhika D.} } @article {Shanbhag, title = {Enantioselective syntheses of (-)-pinellic acid, alpha- and beta-dimorphecolic acid}, journal = {Tetrahedron}, volume = {63}, number = {32}, year = {2007}, month = {AUG}, pages = {7624-7633}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient enantioselective convergent approach for the synthesis of (-)-pinellic acid 1, alpha- and beta- dimorphecolic acid (2 and 3) from 1,9-nonane diol is described. The synthetic strategy features Sharpless asymmetric hydroxylation, Sonogashira coupling and Birch reduction. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {asymmetric dihydroxylation, influenza, Sonogashira coupling}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.05.047}, author = {Baruah, Pranjal K. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article { ISI:000243630300013, title = {Enantioselective synthesis of (-)-cytoxazone and (+)-epi-cytoxazone via Rh-catalyzed diastereoselective oxidative C-H aminations}, journal = {Tetrahedron Letter}, volume = {48}, number = {1}, year = {2007}, month = {JAN}, pages = {65-68}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient enantioselective synthesis of (-)-cytoxazone (1) and (+)-epi-eytoxazone (2) using proline-catalyzed asymmetric alpha-amino-oxylation of aldehydes followed by Rh-catalyzed diastereoselective oxidative C-H amination as the key steps is described. syn or anti 1,2-aminoalcohols were obtained by Rh-catalyzed intramolecular amidation of the C-H bonds of carbamates or sulfamate esters with good to excellent diastereoselectivity. (c) 2006 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.11.016}, author = {Narina, Srinivasarao V. and Kumar, Talluri Siva and George, Shyla and Sudalai, Arumugam} } @article { ISI:000250607100014, title = {Enantioselective synthesis of (S)-dapoxetine}, journal = {Tetrahedron-Asymmetry}, volume = {18}, number = {17}, year = {2007}, month = {SEP}, pages = {2099-2103}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient enantioselective synthesis leading directly to (+)-(S)-dapoxetine has been described for the first time using Sharpless asymmetric dihydroxylation, Barton-McCombie deoxygention, and Mitsunobu reaction as the key steps. (C) 2007 Published by Elsevier Ltd.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2007.07.028}, author = {Siddiqui, Shafi A. and Srinivasan, Kumar V.} } @article { ISI:000248356100011, title = {Enantioselective synthesis of (S)-timolol via kinetic resolution of terminal epoxides and dihydroxylation of allylamines}, journal = {Tetrahedron}, volume = {63}, number = {14}, year = {2007}, month = {APR}, pages = {3026-3030}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient enantioselective synthesis of (S)-timolol has been described using chiral Co-salen-catalyzed kinetic resolution of less expensive (+/-)-epichlorohydrin with 3-hydroxy-4-(N-morpholino)-1,2,5-thiadiazole in good overall yield (55\%) and excellent enantioselectivity (98\%). Synthesis of (S)-timolol has also been achieved using hydrolytic kinetic resolution as well as asymmetric dihydroxylation routes in 90\% ee and 56\% ee, respectively. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {asymmetric reactions, diols, epoxides, Kinetic resolution, oxazolidinone}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.01.057}, author = {Narina, Srinivasarao V. and Sudalai, Arumugam} } @article { ISI:000247278400009, title = {Enantioselective synthesis of tarchonanthuslactone using proline-catalyzed asymmetric alpha-aminooxylation}, journal = {Tetrahedron-Asymmetry}, volume = {18}, number = {8}, year = {2007}, month = {MAY}, pages = {975-981}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A practical enantio selective synthesis of tarchonanthuslactone 1, an important natural product with a polyol unit, is described. The sequence of synthetic reactions involves proline-catalyzed alpha-aminooxylation and iodine-induced electrophilic cyclization as the chiral inducing steps. (c) 2007 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2007.04.008}, author = {George, Shyla and Sudalai, Arurnugam} } @article {45}, title = {Enforcing periodic secondary structures in hybrid peptides: a novel hybrid foldamer containing periodic gamma-turn motifs}, journal = {Journal of Organic Chemistry}, volume = {72}, number = {2}, year = {2007}, month = {JAN}, pages = {636-639}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

{This note describes the design, synthesis, and conformational studies of a novel hybrid foldamer that adopts a definite compact, three-dimensional structure determined by a combined effect of the special conformational properties of the foldamer constituents. The striking feature of this de novo designed foldamer is its ability to display periodic gamma-turn conformations stabilized by intramolecular hydrogen bonds. Conformational investigations by single-crystal X-ray studies, solution-state NMR, and ab initio MO theory at the HF/6-31G*

}, keywords = {ammonia-TPD, benzylation reaction, Ce-Al-MCM-41, Friedel-Crafts alkylation, pyridine-FrIR}, issn = {0935-9648}, doi = {10.1021/jo062032w}, author = {Baruah, Pranjal K. and Sreedevi, N. K. and Gonnade, Rajesh G. and Ravindranathan, Sapna and Damodaran, Krishnan and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000243799400004, title = {Estimation of gross calorific value of coals using artificial neural networks}, journal = {Fuel}, volume = {86}, number = {3}, year = {2007}, month = {FEB}, pages = {334-344}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The gross calorific value (GCV) is an important property defining the energy content and thereby efficiency of fuels, such as coals. There exist a number of correlations for estimating the GCV of a coal sample based upon its proximate and/or ultimate analyses. These correlations are mainly linear in character although there are indications that the relationship between the GCV and a few constituents of the proximate and ultimate analyses could be nonlinear. Accordingly, in this paper a total of seven nonlinear models have been developed using the artificial neural networks (ANN) methodology for the estimation of GCV with a special focus on Indian coals. The comprehensive ANN model developed here uses all the major constituents of the proximate and ultimate analyses as inputs while the remaining six sub-models use different combinations of the constituents of the stated analyses. It has been found that the GCV prediction accuracy of all the models is excellent with the comprehensive model being the most accurate GCV predictor. Also, the performance of the ANN models has been found to be consistently better than that of their linear counterparts. Additionally, a sensitivity analysis of the comprehensive ANN model has been performed to identify the important model inputs, which significantly affect the GCV. The ANN-based modeling approach illustrated in this paper is sufficiently general and thus can be gainfully extended for estimating the GCV of a wide spectrum of solid, liquid and gaseous fuels. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {Artificial neural network, gross calorific value (GCV), proximate and ultimate analyses}, issn = {0016-2361}, doi = {10.1016/j.fuel.2006.07.036}, author = {Patel, Shagufta U. and Kumar, B. Jeevan and Badhe, Yogesh P. and Sharma, B. K. and Saha, Sujan and Biswas, Subhasish and Chaudhury, Asim and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @conference { ISI:000291657600254, title = {Ethane bridged hybrid mesoporous silsesquioxanes with sulfonic acid functionalities: synthesis, characterization and catalytic applications}, booktitle = {From Zeolites to Porous Mof Materials: the 40th Anniversary of International Zeolite Conference, Proceedings of the 15th International Zeolite Conference}, series = {Studies in Surface Science and Catalysis}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1899-1904}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {

Periodic mesoporous organosilicas having -CH(2)-CH(2)- groups in the framewall positions and sulfonic acid groups in the pore channels were prepared using 1,2-bis(triethoxysilyl) ethane, 3-mercaptopropyltriethoxysilane and cetyltrimethylammonium surfactant, under basic conditions, by a one-pot synthesis method. XRD, N(2) sorption isotherm and TEM analysis revealed that the mesoporous structural ordering is retained after the functionalization of organic groups while solid-state NMR techniques like (13)C CP MAS NMR and (29)Si MAS NMR show the presence of sulfonic acid groups and the stability of the mesoporous framework with integrated ethane moieties as bridging groups. The hybrid material was more active, selective and stable than the conventional sulfonic acid containing mesoporous catalysts in the Claisen-Schmidt condensation of acetophenone with benzaldehyde to form chalcone.

}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Shylesh, S. and Samuel, Prinson P. and Parischa, Renu and Singh, A. P.}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article { ISI:000251275500002, title = {Expeditious assembly of 3,4-benzannulated 8-oxabicyclo[3.2.1]octane systems by [2+2+2] alkyne cyclotrimerisation: Total synthesis of (-)-bruguierol A}, journal = {European Journal of Organic Chemistry}, number = {33}, year = {2007}, month = {NOV}, pages = {5483-5486}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Facile construction of benzene-fused 8-oxabicyclo[3.2.1]octane systems by employing a cross alkyne cyclotrimerisation reaction was explored. With this procedure, (-)-bruguierol A was synthesised, and its absolute configuration was established.

}, keywords = {cyclotrimerisation, epoxidation, Total synthesis, Wilkinson{\textquoteright}s catalyst}, issn = {1434-193X}, doi = {10.1002/ejoc.200700648}, author = {Ramana, Chepuri V. and Salian, Sumanth R. and Gonnade, Rajesh G.} } @article { ISI:000245903300012, title = {Fabrication of MEMS composite-polymer gas sensor arrays for electronic nose}, journal = {Indian Journal of Pure \& Applied Physics}, volume = {45}, number = {4}, year = {2007}, note = {Indo-Chinese Workshop on Micro Electron Mechanical Systems (MEMS) and Related Technologies, Natl Phys Lab, New Delhi, INDIA, APR 05-07, 2006}, month = {APR}, pages = {321-325}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article, Proceeding Paper}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Sensor arrays capable of sensing different gases combined with a sampling system and a means of pattern classification and recognition comprise a basic system for an {\textquoteleft}Electronic Nose{\textquoteright} In the present work, a complete process for the fabrication of micro-cavities with sensing electrodes and volumes ranging from 2.5 to 12 nano-liters for the development of polymer gas sensors has been reported. An array of eight sensing cells in four sizes have been fabricated using SU-8 negative tone resist through UV-LIGA process developed at CEERI, Pilani. The length and width of the SU-8 cavities are: 250 x 250, 300 x 300, 500 x 500 and 500 x 600 micron and the depth of each of them was optimized to be 40 micron. These cavities filled with different polymer composites comprise the basic sensing cells for a variety of gases. The current paper presents the salient features of the fabrication process in detail and the results obtained in ethanol and methanol ambient using a polymer composite developed through dissolution of styrene and polyaniline in PMMA. A number of other composites such as Pc-Ppy, Pr-Ppy, Fc(+)-PPy have also been synthesized and tested for a high sensitivity in carbon monoxide.

}, keywords = {composite polymer, conducting polymer, electronic nose, polymer gas sensor, selectivity, sensitivity, sensor array}, issn = {0019-5596}, author = {Pant, B. D. and Kutnar, Mahesh and Lakshmi, Subha and Arora, Anil and Prasad, Mahanth and Sharma, Akshdeep and Patel, Mohan and Radhakrishnan, S. and Dwivedi, V. K.} } @conference { ISI:000252140200008, title = {Fault diagnosis using dynamic time warping}, booktitle = {Pattern Recognition and Machine Intelligence, Proceedings}, series = {LECTURE NOTES IN COMPUTER SCIENCE}, volume = {4815}, year = {2007}, note = {2nd International Conference on Pattern Recognition and Machine Intelligence, Calcutta, INDIA, DEC 18-22, 2007}, month = {DEC}, pages = {57-66}, publisher = {Indian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure \& Appl Math; Web Intelligence Consortium; Yahoo India Res \& Dev; Philips Res Asia}, organization = {Indian Stat Inst, Machine Intelligence Univ; ISI Ctr Soft Comp Res; Int Assoc Pattern Recognit; Int Ctr Pure \& Appl Math; Web Intelligence Consortium; Yahoo India Res \& Dev; Philips Res Asia}, address = {Heidelberger Platz 3, D-14197 Berlin, Germany}, abstract = {

Owing to the superiority of Dynamic Time Warping as a similarity measure of time series, it can become an effective tool for fault diagnosis in chemical process plants. However, direct application of Dynamic Time Warping can be computationally inefficient, given the complexity involved. In this work we have tackled this problem by employing a warping window constraint and a Lower Bounding measure. A novel methodology for online fault diagnosis with Dynamic Time Warping has been suggested and its performance has been investigated using two simulated case studies.

}, isbn = {978-3-540-77045-9}, issn = {0302-9743}, author = {Rajshekhar and Gupta, Ankur and Samanta, A. N. and Kulkarni, B. D. and Jayaraman, Valadi K.}, editor = {Ghosh, A. and De, R. K. and Pal, S. K.} } @article { ISI:000250755100004, title = {Fluorescence quenching and time-resolved fluorescence studies of alpha-Mannosidase from Aspergillus fischeri (NCIM 508)}, journal = {Journal of Fluorescence}, volume = {17}, number = {6}, year = {2007}, month = {NOV}, pages = {599-605}, publisher = {SPRINGER/PLENUM PUBLISHERS}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Apart from the vital role in glycoprotein biosynthesis and degradation, alpha-mannosidase is currently an important therapeutic target for the development of anticancer agents. Fluorescence quenching and time-resolved fluorescence of alpha-mannosidase, a multitryptophan protein from Aspergillus fischeri were carried out to investigate the tryptophan environment. The tryptophans were found to be differentially exposed to the solvent and were not fully accessible to the neutral quencher indicating heterogeneity in the environment. Quenching of the fluorescence by acrylamide was collisional. Surface tryptophans were found to have predominantly positively charged amino acids around them and differentially accessible to the ionic quenchers. Denaturation led to more exposure of tryptophans to the solvent and consequently in the significant increase in quenching with all the quenchers. The native enzyme showed two different lifetimes, tau (1) (1.51 ns) and tau (2) (5.99 ns). The average lifetime of the native protein (tau) (3.187 ns) was not affected much after denaturation (tau) (3.219 ns), while average lifetime of the quenched protein samples was drastically reduced (1.995 ns for acrylamide and 1.537 ns for iodide). This is an attempt towards the conformational studies of alpha-mannosidase.

}, keywords = {alpha-Mannosidase, Denaturation, fluorescence, lifetime, Solute quenching}, issn = {1053-0509}, doi = {10.1007/s10895-007-0227-8}, author = {Shashidhara, K. S. and Gaikwad, Sushama M.} } @article { ISI:000243831600013, title = {Formation from direct oxidation of H-2 and destruction by decomposition/hydrogenation of H2O2 over Pd/C catalyst in aqueous medium containing different acids and halide anions}, journal = {Applied Catalysis A-General}, volume = {317}, number = {2}, year = {2007}, month = {FEB}, pages = {234-243}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Direct oxidation of H-2 by O-2 to H2O2 and decomposition/hydrogenation of H2O2 (at 27 degrees C and atmospheric pressure) over Pd/C catalyst in an aqueous acidic reaction medium have been thoroughly investigated using different mineral acids (viz. 0.1 N H2SO4, H3PO4, H3BO3, HNO3, HCl, HBr or HI) and/or halide anions (viz. F-, Cl-, Br- or I-), covering their wide concentration range (0-24 mmol/dm(3)), in the reaction medium. In the absence of any externally added halide, appreciable H2O2 formation in the H2 oxidation occurred only when the medium contained HCl. However, the rates of H2O2 decomposition and hydrogenation are greatly reduced because of the presence of any acid; the influence on the H2O2 decomposition was, however, much larger for the halo acids. In the presence of acid (0.1 N H3PO4 or H2SO4), the H-2-to-H2O2 formation reaction is greatly enhanced by the externally added halide anions up to their optimum concentrations. However, above the optimum halide anion concentration, it is inhibited more than the H-2-to-water formation (parallel) reaction, causing a decrease in both the H2O2 yield and selectivity. Whereas, the H-2 conversion and H2O2 destruction activities of the catalyst are decreased continuously with increasing the halide anion (except F-) concentration. Among the halides, chloride is the best halide promoter for Pd/C catalyst in the H-2-to-H2O2 oxidation. At the optimum Cl-concentration (5.4 mmol/dm(3)), both the H-2 conversion and H2O2 yield are passed through a maximum and the H2O2 decomposition is greatly inhibited with increasing the phosphoric acid concentration. In the absence of either the chloride anions or the acid (or both) in the reaction medium, only a little or no H2O2 is formed in the H-2 oxidation and also the rate of H2O2 destruction is very fast, particularly in the presence of H-2; the rapid destruction of H2O2 is mainly due to its decomposition rather than its hydrogenation. The best H-2-to-H2O2 oxidation results are obtained at the optimum concentrations of both the acid and halide anions. In the presence of acid and chloride (or bromide) promoter, the H2O2 hydrogenation dominates the H2O2 destruction and hence the net H2O2 formation is mainly controlled by the H2O2 hydrogenation. (c) 2006 Published by Elsevier B.V.

}, keywords = {H2O2 decomposition, H2O2 hydrogenation, halide anion promoters, Hydrogen peroxide, oxidation of H-2-to-H2O2, Pd/C catalyst}, issn = {0926-860X}, doi = {10.1016/j.apcata.2006.10.022}, author = {Choudhary, Vasant R. and Samanta, Chanchal and Jana, Prabhas} } @article { ISI:000246754200022, title = {Generation of hydrogen peroxide via the selective reduction of oxygen by hydrazine sulfate over Br-promoted Pd/Al2O3 catalyst in an aqueous medium at ambient conditions}, journal = {Applied Catalysis A-General}, volume = {323}, year = {2007}, month = {APR}, pages = {202-209}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The in situ generation of H2O2 via the selective reduction of OZ by hydrazine sulfate (in an aqueous medium) has been thoroughly investigated over the Br-promoted Pd(or PdO)/Al2O3 catalyst. The influence of the following factors have been addressed in this study: (a) Br concentration (in the reaction medium or incorporated in the catalyst); (b) reaction conditions (viz. reaction time, temperature); (c) concentrations of reducing agent and phosphoric acid in the reaction medium. Decomposition of N2H4 (from NH4-H2SO4) and its reaction with H2O2 under similar reaction conditions (in the absence of O-2) have also been studied. H2O2, which is an intermediate product of the O-2 reduction, is involved in further consecutive reactions. It can be converted to water via its decomposition and/or reaction with the unconverted NZH(4). In the presence of Br promoter, the later (reaction with unconverted N2H4) is more dominant. Both the consecutive reactions are drastically retarded in the presence of protons and Br promoter. A plausible reaction mechanism has been proposed for illustrating the role of the protons and Br promoter in the selective formation of H2O2 in the O-2 reduction process. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {brominated Pd/Al2O3 catalyst, hydrazine sulfate, Hydrogen peroxide, in situ H2O2 generation, oxygen reduction, Pd/Al2O3 catalyst}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.02.014}, author = {Choudhary, Vasant R. and Jana, Prabhas and Samanta, Chanchal} } @article { ISI:000245142200047, title = {Grafting reactions of living macroanions with multi-walled carbon nanotubes}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {7}, number = {4-5}, year = {2007}, month = {APR}, pages = {1560-1567}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Grafting reactions of living polystyryllithium (PSLi) with acid chloride containing multi-walled carbon nanotubes (MWNTs-COCl) were performed under vacuum in benzene at room temperature. Covalent grafting of polystyrene (PS) was characterized using spectroscopic, microscopic, and thermogravimetric analyses. Grafting at different ratios of macroanion to acylchloride of the carbon nanotubes showed that the grafting efficiency was not dependent on the concentration of the macroanions. The mole percent of PS present in the MWNTs-g-PS samples was inversely proportional to the precursor molecular weight of PSLi. Direct reactions of PSLi, polybutadienyllithium and n-butyllithium with pristine MWNTs without any functional groups were also performed in the presence and in the absence of tetrahydrofuran in benzene. The grafting reactions of living macroanions either with MWNTs-COCl or with pristine MWNTs indicated a partial grafting of polymer on the carbon nanotubes in benzene at room temperature.

}, keywords = {Anionic polymerization, covalent functionalization, grafting, multi-walled carbon nanotubes}, issn = {1533-4880}, doi = {10.1166/jnn.2007.459}, author = {Baskaran, Durairaj and Sakellariou, Georgios and Mays, Jimmy W. and Bratcher, Matthew S.} } @article { ISI:000249567000022, title = {Highly photostable dye entrapped core-shell particles}, journal = {Materials Letters}, volume = {61}, number = {25}, year = {2007}, month = {OCT}, pages = {4738-4742}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Organic dye namely Coumarin 7 has been entrapped in silica particles using a single silica precursor viz. tetraethylorthosilicate. Both bare Coumarin 7 dye and dye incorporated core-shell particles were studied. Investigations of these core-shell composites were carried out using different characterization techniques such as energy dispersive X-ray analysis, X-ray photoelectron spectroscopy and transmission electron microscopy. It has been shown that the photostability of dye molecules is improved along with an increase in photoluminescence. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {core-shell, coumarin 7 dye, Luminescence, photostability, tetraethylorthosilicate}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.03.030}, author = {Ethiraj, Anita S. and Kharrazi, Sharmin and Hebalkar, Neha and Urban, J. and Sainkar, S. R. and Kulkarni, S. K.} } @article { ISI:000243650800011, title = {High-temperature, polymer-graphite hybrid composites for bipolar plates: effect of processing conditions on electrical properties}, journal = {Journal of Power Sources}, volume = {163}, number = {2}, year = {2007}, month = {JAN}, pages = {702-707}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

High-temperature thermoplastic-graphite composites are prepared using polyphenylene sulfide (PPS) and polyether sulfone (PES) containing natural graphite powder. All samples are prepared by high pressure compaction and heating to high temperatures. The effect of a third additional conducting component on the electrical resistance of these composites is studied. A low resistance of the order of 0.1 Omega can be obtained even for a graphite concentration of 50\% by addition of the third component. The effect of a mixing/blending technique on the anisotropy of conductivity is investigated. Solution blending of PES with graphite leads to lower anisotropy values than powder mixing and compression moulding. The samples when exposed continuously to a working temperature of 100 degrees C give a small but significant reduction in electrical resistance. X-ray diffraction studies on composites prepared by different techniques indicate that there is restructuring and crystallite re-orientation of the graphite phase in the samples. A large reduction in the crystallite size is observed for samples prepared by solution blending while re-orientation occurs after heat treatment. The changes in electrical properties can be correlated with these structural transformations in the composites. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {bipolar plates, conducting polymer, fuel cell, graphite composites, hybrid materials, polyether sulfone, polypherylene sulfide}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2006.08.019}, author = {Radhakrishnan, S. and Ramanujam, B. T. S. and Adhikari, Arindam and Sivaram, S.} } @article { ISI:000244855500011, title = {Hydrogen bonding in trivinyl monomers: implications for inclusion complexation and polymerization}, journal = {Macromolecules}, volume = {40}, number = {6}, year = {2007}, month = {MAR}, pages = {1824-1830}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Trimethylolpropane trimethacrylate (TMPTMA) formed a 1:2 inclusion complex (IC) with beta-cyclodextrin (beta-CD). Polymerization of the complex resulted in a soluble, linear polymer containing two pendant unsaturations per repeat unit since the methacryloyl groups included in the beta-CD cavity did not react with the growing radical chain. Trimethylolpropane triacrylate (TMPTA) formed a 1:1 complex with beta-CD. Yet a soluble polymer containing two pendant unsaturations per repeat unit was obtained. Computational analysis confirmed that in TMPTA hydrogen bonding between C-H center dot center dot center dot O=C brings two acryloyl groups in close vicinity of one another. As a result, both acryloyl groups were included in the same beta-CD cavity. Trimethylolpropane diacrylate 4-vinylbenzoate (TMPDAVB) once again formed 1:2 IC as a result of disruption of hydrogen bonds between two acryloyl groups. The study highlights that an understanding of the composition of the IC is more important than its stoichiometry alone.

}, issn = {0024-9297}, doi = {10.1021/ma062397i}, author = {Satav, Sunita S. and Karmalkar, Rohini N. and Kulkarni, Mohan G. and Mulpuri, Nagaraju and Sastry, G. Narahari} } @article { ISI:000246157400035, title = {Hydrogenation of hydrogen peroxide over palladium/carbon in aqueous acidic medium containing different halide anions under static/flowing hydrogen}, journal = {Industrial \& Engineering Chemistry Research}, volume = {46}, number = {10}, year = {2007}, month = {MAY}, pages = {3237-3242}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Kinetics of the hydrogenation of hydrogen peroxide (at 278 and/or 300 K) over Pd(5 wt\%)/carbon in aqueous medium with or without containing acid or different halide anions (F-, Cl-, Br-, or I-) under static H-2 (i.e. batchwise) or flowing H-2 (i.e. semi-batchwise) at atmospheric pressure have been thoroughly studied. In the absence of protons or halide anions and also in the presence of F- anions, a very rapid decomposition of H2O2 (H2O2 -\> H2O + 0.5O(2)) predominates over the H2O2 hydrogenation (H2O2 + H-2 -\> 2H(2)O). However, in the presence of both the protons and Cl- or Br- anions, the H2O2 conversion occurs mainly by the hydrogenation reaction. The hydrogenation is found to be a zero-order reaction with respect to the H2O2 concentration, and its activation energy and frequency factor are strongly influenced by the halide anions. The hydrogenation is found to be more and more inhibited with increasing halide (Cl- or Br-) anion concentration. The cations associated with the halide anions have, however, only a very little influence on the hydrogenation. Iodide anions act as a very strong catalyst poison for the hydrogenation. In the presence of acid, the hydrogenation is very strongly influenced by the different halides, but, in the presence of halide anions (5.4 mmol/dm(3)), it is very mildly influenced by the different mineral acids (except HI). In the absence of protons, the Cl- and Br- anions are ineffective for inhibiting the rapid H2O2 decomposition. A role played by protons and halide anions for drastically inhibiting the rapid H2O2 decomposition is discussed.

}, issn = {0888-5885}, doi = {10.1021/ie0608408}, author = {Choudhary, Vasant R. and Samanta, Chanchal and Jana, Prabhas} } @article { ISI:000254475400003, title = {Immobilization of invertase on functionalized mesoporous silica and properties of the immobilized biocatalyst}, journal = {Research Journal of Biotechnology}, volume = {2}, number = {1}, year = {2007}, month = {FEB}, pages = {12-17}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, type = {Article}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {

Invertase, which catalyses the hydrolysis of sucrose, is one of the simplest commercial carbohydrases and is used for the production of invert syrup (mixture of glucose and fructose). Fructose is the sweetest natural sugar having beneficial medicinal effects and is emerging as an alternative sweetener to sucrose in the pharmaceutical industry. beta fructofuranosidase (E C 3.2.1.26) purified from Kluyveromyces marxianus NCYC 2675, a thermotolerant yeast, was immobilized on functionalized mesoporous silica SBA- 15. Attempts were made to immobilize invertase on functionalized silicalite and cross linked with glutaraldehyde so as to obtain a highly active and stable immobilized enzyme preparation suitable for commercial exploitation. Cross linked enzyme silica complex as well as enzyme silica complex showed very good temperature and pH stability. Extrudates of the mesoporous silica also showed similar results. Bound enzyme showed excellent stability to repeated use and retained 90\% of its initial activity after ten cycles of reuse in batch mode.

}, keywords = {beta fructofuranosidase, extrudates, functionalized mesoporous silica, Invert syrup, invertase, SBA-15}, issn = {0973-6263}, author = {Prabhune, Asmita Ashutosh and Sulabha, Karandikar and Archana, Pundle and Shilpa, Deshpande and Sanjeevani, Pardhy} } @article { ISI:000250792200005, title = {Immobilization of mushroom polyphenol oxidase on poly(allyl glycidyl ether-co-ethylene glycol dimethacrylate) macroporous beaded copolymers}, journal = {Reactive \& Functional Polymers}, volume = {67}, number = {10}, year = {2007}, month = {OCT}, pages = {905-915}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Functional, macroporous, beaded copolymers containing epoxy groups were synthesized for immobilization of polyphenol oxidase (PPO) from edible mushroom (Agaricus bisporus). The effect of incorporation of two different sets of monomers such as glycidyl methacrylate (GMA) and allyl glycidyl ether (AGE) and the effect of cross-linking agent ethylene glycol dimethacrylate (EGDM) with varying cross-link densities on binding and expression of mushroom PPO activity were studied. The effect of porogen viz. cyclohexanol and hexanol on PPO immobilization was studied. AGE copolymers with hexanol as a porogen were found to give higher binding and expression of PPO activity than GE polymers. Crosslinking of amino groups of enzyme with 5\% glutaraldehyde for 6 h gave a stable binding of PPO on AGE-75(Hex) polymer with storage half-life of approximately 25 days. Under optimum conditions, AGE-75(Hex) polymer gave 70.3\% of activity yield while percent retention of PPO activity was found to be 83.5\%. Immobilized PPO showed a broader pH, higher temperature and excellent storage stability. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {cross-linking agent, Enzyme immobilization, Epoxy-activated support, mushroom PPO}, issn = {1381-5148}, doi = {10.1016/j.reactfunetpolym.2007.05.015}, author = {Vaidya, Bhalchandra K. and Karale, Abhijeet J. and Suthar, Hitesh K. and Ingavle, Ganesh C. and Pathak, Tara Sankar and Ponrathnam, S. and Nene, Sanjay} } @conference { ISI:000291657600253, title = {Immobilization of Ntn hydrolases on APTES fuctionalized SBA-15}, booktitle = {From Zeolites to Porous Mof Materials: the 40th Anniversary of International Zeolite Conference, Proceedings of the 15th International Zeolite Conference}, series = {Studies in Surface Science and Catalysis}, volume = {170}, year = {2007}, note = {15th International Zeolite Conference, Beijing, PEOPLES R CHINA, AUG 12-17, 2007}, month = {AUG}, pages = {1891-1898}, publisher = {Elsevier Science BV}, organization = {Elsevier Science BV}, address = {Sara Burgerhartstraat 25, Po Box 211, 1000 AE Amsterdam, Netherlands}, abstract = {

APTES Functionalized mesoporous silica SBA-15 molecular sieves have been prepared and used for immobilization of Penicillin G acylase. Physico chemical characterization was done by nitrogen adsorption, powder XRD and TEM methods to understand the nature of immobilized PGA enzyme. XRD data indicate a good mesoscopic order. The characteristic hexagonal features of SBA-15 were maintained in PGA immobilized SBA-15 samples. Incorporation of PGA does not affect the original pore structure of the parent SBA-15. The adsorption of PGA on SBA-15 from buffered solutions with a pH value, 7.8 has been studied as a model protein adsorption system. The maximum activity of the immobilized enzyme was observed at pH 7.8, slightly below the isoelectric point of the enzyme. The loading capacity of immobilized PGA is 34 mg protein per 0.5 g of SBA-15. The stability of Penicillin G acylase was enhanced by the physical entrapment in SBA-15.

}, isbn = {978-0-444-53068-4}, issn = {0167-2991}, author = {Shah, Pallavi and Sridevi, N. and Prabhune, Asmita and Ramaswamy, Veda}, editor = {Xu, R and Gao, Z. and Chen, J and Yan, W} } @article { ISI:000251153900031, title = {Impact of orientational distribution of adsorbing objects on dynamics of Random Sequential Ballistic Adsorption (RSBA) dynamics}, journal = {Surface Science}, volume = {601}, number = {21}, year = {2007}, month = {NOV}, pages = {5010-5015}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Recently, by proposing a new variant of Random Sequential Adsorption (RSA) namely Random Sequential Ballistic Adsorption (RSBA) model [Pradip B. Shelke, A.G. Banpurkar, S.B. Ogale, A.V. Limaye, Surf. Sci. 601 (2007) 274], we addressed the issue of adsorption dynamics of extended objects where the objects, upon adsorption, protrude outside the substrate. This study brought out the role of the arriving trajectory in the adsorption dynamics. In the present work the possible role of the orientational distribution of the arriving objects in the RSBA dynamics is investigated. The dynamics of RSBA of needles (line segments) is studied analytically and by computer simulation for different types of theta distributions of arriving needles, theta being the angle made by the arriving needle with normal to the substrate. Three types of theta distributions, namely a uniform distribution over the range (0, pi/2), a Gaussian distribution and a distribution uniform over the solid angle, are considered. Analytical treatment establishes that in all the three cases, the number n(t) of adsorbed objects at a late time t follows a power law n(t) similar to t(alpha), and the exponent a depends on the specifics of the theta distribution. In general, for distribution f(theta) proportional to theta(beta), for theta -\> 0, alpha is found to be 2/(beta + 3). The simulation results are in excellent agreement with the analytical findings and together they reveal that the orientational distribution of arriving objects has significant consequences for the Random Sequential Ballistic Adsorption (RSBA) process. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Adsorption, adsorption kinetics, Monte Carlo simulations, random sequential adsorption (RSA)}, issn = {0039-6028}, author = {Shelke, Pradip B. and Banpurkar, Arun G. and Ogale, Satishchandra B. and Limaye, A. V.} } @article { ISI:000244429400011, title = {In vitro clonal propagation of Casuarina equisetifolia forst. from mature tree-derived explants}, journal = {Current Science}, volume = {92}, number = {3}, year = {2007}, month = {FEB}, pages = {287-290}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Seth, Rupali and Kendurkar, Shuchishweta V. and Nadgauda, Rajani} } @article {42763, title = {Influence of ancillary binding and nonspecific adsorption on bioresponsive hydrogel microlenses}, journal = {Biomacromolecules}, volume = {8}, year = {2007}, month = {APR}, pages = {1157-1161}, type = {Article}, doi = {10.1021/bm070005p}, author = {Kim, Jongseong and Singh, Neetu and Lyon, L. Andrew} } @article {42685, title = {Interaction of different metal ions with carboxylic acid group: a quantitative study}, journal = {Journal of Physical Chemistry A}, volume = {111}, year = {2007}, month = {JUN}, pages = {6183{\textendash}6190}, type = {Article}, abstract = {

The binding strength of the carboxylic acid group (-COOH) with different divalent metal ions displays considerable variation in arachidic acid (AA) thin films. It is considered that in AA thin films the metal ions straddle the hydrophilic regions of the stacked bilayers of AA molecules via formation of carboxylates. In this study first the uptake of different divalent cations in films of AA is estimated by atomic absorption spectroscopy (AAS). Through the amount of cation uptake, it is found that the strength of binding of different cations varies as Ca2+ \> Co2+ \> Pb2+ \> Cd2+. Variation in the binding strength of different ions is also manifested in experiments where AA thin films are exposed to metal ion mixtures. The higher binding strength of AA with certain metal ions when exposed individually, as well as the preference over the other metal ions when exposed to mixtures, reveal some interesting deviation from the expected behavior based on considerations of ionic radii. For example, Pb2+ is always found to bind to AA much more strongly than Cd2+ even though the latter has smaller ionic radius, indicating that other factors also play an important role in governing the binding strength trends apart from the effects of ionic radii. Then, to get a more meaningful knowledge regarding the binding capability, first-principles calculations based on density functional theory have been applied to study the interaction of different cations with the simplest carboxylic acid, acetic acid, that can result in formation of metal diacetates. Their electronic and molecular structures, cohesive energies, and stiffness of the local potential energy well at the cation (M) site are determined and attempts are made to understand the diversity in geometry and the properties of binding of different metal ions with -COOH group. We find that the calculated M-O bond energies depend sensitively on the chemistry of M atom and follow the experimentally observed trends quite accurately. The trends in M-O bond energies and hence the total M-acetate binding energy trends can actually be related to their molecular structures that fall into different categories: Ca and Cd have tetrahedral coordination; Fe, Ni, and Co exhibit planar 4-fold coordination; and Pb is off-centered from the planar structure (forming pyramidal structure) due to its stereochemically active lone pair of electrons.

}, doi = {10.1021/jp067906x}, author = {Bala, Tanushree and Bhagavatula L. V. Prasad and Sastry, Murali and Kahaly, Mousumi Upadhyay and Waghmare, Umesh V.} } @article {17}, title = {Interfacial deposition of Ag on Au seeds leading to AucoreAgshell in organic media}, journal = {Journal of Colloid and Interface Science}, volume = {312}, number = {16}, year = {2007}, month = {AUG}, pages = {498-505}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, keywords = {core-shell nanoparticles, Gold, HRTEM, interfacial seeded growth, Silver, XPS}, issn = {0021-9797}, doi = {10.1016/j.jcis.2007.03.032}, author = {Chandran, S. Prathap and Ghatak, J. and Satyam, P. V. and Sastry, Murall} } @article {2}, title = {Investigating organization of molecules that facilitates intermolecular acyl transfer in crystals: reactivity and x-ray structures of O-benzoyl-myo-inositol 1,3,5-orthoesters}, journal = {European Journal of Organic Chemsitry}, volume = {293}, number = {7}, year = {2007}, month = {FEB}, pages = {1153-1159}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{Crystal structure analysis of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthobenzoate reveals helical organization of the molecules, remarkably similar to that observed earlier in crystals of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthoformate. Both these dibenzoates are isostructural despite the bulkier phenyl substituent in place of hydrogen. The latter compound shows highly facile intermolecular benzoyl transfer reactivity in its crystals and as anticipated from the crystal structure, the orthobenzoate indeed exhibits facile benzoyl transfer reactivity in its crystals. 2-O-Benzoyl-myo-inositol 1,3,5-orthoformate and the corresponding orthobenzoate also undergo transesterification in their crystals, but the specificity of acyl transfer is very low, and the reaction yields a mixture of products. The parameters of helical molecular assembly that facilitates acyl transfer in crystals have been investigated. A comparison of the molecular assemblies and lattice interactions in crystals of all the four compounds with the observed reactivity patterns show that facile acyl transfer reaction is brought about by a modular {\textquoteleft}{\textquoteleft}reaction tunnel{\textquoteright}{\textquoteright}

}, keywords = {AOT, CdS-Ag2S, core-shell, Nanoparticles, w/o microemulsion, XPS}, issn = {0927-7757}, author = {Murali, Chebrolu and Shashidhar, Mysore S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000244614500012, title = {Kinetics of hexene-1 polymerization using [(N,N {\textquoteleft}-diisopropylbenzene)-2,3-(1,8-napthyl)-1,4-diazabutadiene] dibromonickel/methylaluminoxane catalyst system}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {45}, number = {6}, year = {2007}, month = {MAR}, pages = {1093-1100}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

{Kinetics of hexene-1 polymerization was investigated using [(N,N{\textquoteright}-diiso-propylbenzene)2,3-(1,8-napthly)-1,4-diazabutadiene]/dibro monickel/methylaluminoxane catalyst. Experiments were performed at varying catalyst and monomer concentrations in the temperature range of -10 to 35 degrees C. First order time-conversion plot shows a downward curvature at temperatures of 20 degrees C and 35 degrees C indicating the presence of finite termination reactions. A nonlinear plot of degree of polymerization (P-n) with respect to conversion indicates occurrence of transfer reactions and slow initiation. The experimental molar masses are higher than predicted, which implies that a fraction of catalyst species could not be activated or is deactivated at the early stages of the reactions. The efficiency of the catalyst (Cat(eff)) varies from 0.77 to 0.89. The observed polydispersity of the poly(hexene-1) s is in the range of 1.18-1.48. The reaction order was found to be 1.11 with respect to catalyst. The Arrhenius plot obtained using the overall propagation rate constant, k(p), at five different temperatures (-10, 0, 10, 20, and 35 degrees C) was found to be linear with an activation energy

}, keywords = {Activation energy, chain transfer, degree of polymerization, hexene-1, kinetics (polym.), nickel (alpha-diimine)}, issn = {0887-624X}, doi = {10.1002/pola.21852}, author = {Subramanyam, Ummadisetty and Sivaram, Swaminathan} } @article { ISI:000246727900030, title = {Low density porous carrier based conceptual drug delivery system}, journal = {Microporous and Mesoporous Materials}, volume = {102}, number = {1-3}, year = {2007}, month = {MAY}, pages = {290-298}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Chronotherapy, a new approach for treating pathological conditions, is based on circadian rhythm. Present work conceptualizes a specific technology, based on combining floating and pulsatile principles to develop drug delivery system, intended for chronotherapy in arthritis. This approach was achieved by using low density microporous polypropylene, Accurel MP 1000 (R), as a multiparticulate carrier along with drug of choice ibuprofen. Carrier amount and solvent volume was kept invariant in designing this simple system by adsorbing drug via melting or solvent evaporation using different carrier: drug ratios. In solvent evaporation, methanol (M) and dichloromethane (DCM) were used. Drug loaded multiparticulate system was subjected to various characterization and evaluation parameters showing influence of adsorption process. Drug release study was performed in acidic environment using pH 1.2 HCl IP medium for 6 h to mimic gastric condition for evaluating gastroretention followed by basic environment using appropriate medium as phosphate buffer pH 7.2 IP for 3 h resembling transit. The release pattern showed influence of drug adsorption methods characterized by ever changing pore geometry with total release ranges in acidic medium as 10.7-27.6\% and final release as 55.6-88.6\%. Present drug delivery system devoid of any additives/excipients influencing drug release show distinct behaviour from other approaches/technologies in chronotherapy by (a) observing desired low drug release (11\%) in acidic medium (b) overcoming the limitations of process variables caused by multiple formulation steps (c) reducing time consumption due to single step process (d) can be extended to controlled release also. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {chronotherapy, floating pulsatile drug delivery, low density porous carrier, melt adsorption, solvent polarity}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.01.001}, author = {Sher, Praveen and Ingavle, Ganesh C. and Ponrathnam, Surendra and Pawar, Atmaram P.} } @article { ISI:000244634100009, title = {Low density porous carrier - drug adsorption and release study by response surface methodology using different solvents}, journal = {International Journal of Pharmaceutics}, volume = {331}, number = {1}, year = {2007}, month = {FEB}, pages = {72-83}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Low density porous carriers are widely used in the pharmaceutical applications. Response surface methodology, using 3 2 factorial design was used to study drug adsorption on and its release patterns from microporous polypropylene (Accurel MP 1000((R))) in the absence of additives. Ibuprofen, as model drug, was adsorbed on the polymer by solvent evaporation using two organic solvents methanol (M) and dichloromethane (DCM). The amount of carrier (100 mg) and its particle size range (250-350 mu m) were kept invariant while solvent volume (X-1) and drug amount (X-2) were taken as variables. Drug adsorption pattern depended on the type and amount of solvent used. DSC, XRD, FTIR and TGA, predict crystalline nature and physical form of adsorption. SEM showed the penetration and adsorption of the drug in and on the microporous polymer. Accurel NIP 1000((R)) had a pore volume of 1.992 g/cm(3) and surface area of 55.9855 m(2)/g as detected by mercury porosimetery. On drug adsorption, pore volume ranged from 0.413 to 1.198 g/cm(3) for methanol and 0.280-0.759 g/cm(3) for DCM. Similarly surface area was in the range 38.445-25.497 m(2)/g for methanol and 18.710-32.528 m(2)/g for DCM. The drug release was investigated in phosphate buffer pH 7.2. All batches showed excellent in vitro floating property. Drug release was partial with recovery to complete dependent on type and volume of solvent. R 2 values relating to bulk density, pore volume, surface area and drug release at 60, 120 and 180 min were estimated. Effect of solvent properties shows a positive influence on drug adsorption and release. Release profiles of some batches could be considered as gastroretentive drug delivery system. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {3(2) factorial design, carrier, microporous polymer, Response surface methodology, solvent evaporation}, issn = {0378-5173}, doi = {10.1016/j.ijpharm.2006.09.013}, author = {Sher, Praveen and Ingavle, Ganesh C. and Ponrathnam, Surendra and Pawar, Atmaram P.} } @article { ISI:000245760900020, title = {Low temperature route to prepare LaFeO3 and LaCoO3}, journal = {Materials Letters}, volume = {61}, number = {10}, year = {2007}, month = {APR}, pages = {2030-2032}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A combination of digestion and further low temperature calcination to crystallize the product was employed to prepare LaFeO3 (LF) and LaCoO3 (LC) powders. Freshly co-precipitated lanthanum and ferric (or cobalt) hydroxide gels by sodium hydroxide were allowed to react at 100 degrees C under refluxing and stirring conditions for 4-6 h. These oven dried powders were heated at 450 degrees C to from crystalline LF (or LC) powders. The phase contents and lattice parameters were investigated by X-ray diffraction (XRD). Transmission electron microscope (TEM) investigations were carried out to examine the morphology and average particle size of these powders. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, LaFeO3, Precipitation, transmission electron microscopy, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.08.009}, author = {Jadhav, A. D. and Gaikwad, A. B. and Samuel, V. and Ravi, V.} } @article { ISI:000252511300009, title = {Low temperature synthesis of magnetite and maghemite nanoparticles}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {7}, number = {12}, year = {2007}, month = {DEC}, pages = {4294-4302}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

We report on the synthesis of iron oxide nanoparticles below 100 degrees C by a simple chemical protocol. The uniqueness of the method lies in the use of Ferrous ammoniurn sulphate (in conjugation with FeCl3) which helps maintain the stability of Fe-2+ state in the reaction sequence thereby controlling the phase formation. Hexamine was added as the stabilizer. The nanoparticles synthesized at three different temperatures viz, 5 degrees, 27 degrees, and 95 degrees C are characterized by several techniques. Generally, when a mixture of Fe3+ and Fe2+ is added to sodium hydroxide, alpha-Fe2O3 (the anti-ferromagnetic phase) is formed after the dehydration process of the hydroxide. In our case however, the phases formed at all the three temperatures were found to be ferro (ferri) magnetic, implying modification of the formation chemistry due to the specifics of our method. The nanoparticles synthesized at the lowest temperature exhibit magnetite phase, while increase in growth temperature to 95 degrees C leads to the maghemite phase.

}, keywords = {low temperature synthesis, maghemite, magnetite, Nanoparticles}, issn = {1533-4880}, doi = {10.1166/jnn.2007.873}, author = {Bhagwat, Shrikant and Singh, Hema and Athawale, Anjali and Hannoyer, Beatrice and Jouen, Samuel and Lefez, Benoit and Kundaliya, Darshan and Pasricha, Renu and Kulkarni, Shailaja and Ogale, Satishchandra B.} } @article { ISI:000249655500007, title = {Magnetic transition and large magnetocaloric effect associated with surface spin disorder in Co and CocoreAgshell nanoparticles}, journal = {Journal of Physical Chemistry C}, volume = {111}, number = {38}, year = {2007}, month = {SEP}, pages = {14060-14066}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report a reversible, large magnetocaloric effect in the vicinity of a low-temperature magnetic transition in Co and CocoreAgshell nanoparticles synthesized using a wet chemical method. The as-synthesized assembly of the particles shows a sharp low-temperature peak in the zero-field-cooled (ZFC) magnetization well below the blocking transition temperature, and this feature is associated with the surface spin disorder. Co nanoparticles show a large increase in the magnetic entropy at around 15 K with a peak value of nearly 2.25 J/K center dot kg for an applied field of 30 kOe. A similar trend is also observed in the silver-coated Co particles. These are some of the largest NICE values observed in nanoparticles to date. The features are ascribed to the low-temperature spin-glass-like freezing transition associated with the surface spins in the shell region that is distinct from the behavior of core spins. Our studies reveal that manipulating the surface anisotropy in core-shell nanoparticles has the potential to lead to a large NICE effect and thus prove to be useful for magnetic refrigeration.

}, issn = {1932-7447}, doi = {10.1021/jp073274i}, author = {Poddar, P. and Srinath, S. and Gass, James and Bhagavatula L. V. Prasad and Srikanth, H.} } @article { ISI:000251643300013, title = {Micropropagation of mature pongamia pinnata pierre}, journal = {In Vitro Cellular \& Developmental Biology-Plant}, volume = {43}, number = {6}, year = {2007}, month = {DEC}, pages = {608-613}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

Murashige and Skoog{\textquoteright}s (MS) basal medium with benzylaminopurine (BA), kinetin (KN), zeatin (Z), and thidiazuron (TDZ) were tested for induction of multiple shoots from mature-tree-derived axillary meristems of Pongamia pinnata. Sprouting of buds was 64\% on medium devoid of plant growth regulators (PGR). Incorporation of BA, KN, or Z was ineffective in enhancing sprouting frequency or induction of multiple shoots. Sprouting was completely suppressed in the presence of TDZ. Caulogenic buds appeared in nodal meristems of these explants after withdrawal of TDZ. The number of shoot buds was more on explants precultured in higher concentrations. At higher concentrations of this PGR, a swelling developed at the axil. Multiple shoot primordia appeared and differentiated from this swelling after culturing these explants on MS medium for six passages of 2 wk each. Shoots were harvested and cultured on 0.45 mu M TDZ for further proliferation. Primary explants after harvesting of shoots were identified as {\textquoteleft}stump{\textquoteright}. Reculturing of stumps on 0.45 mu M TDZ produced more shoots. This step was followed for six cycles to obtain additional shoots in each cycle. Shoots maintained on 0.45 mu M TDZ elongated and rooted (70\%) on growth regulator-free medium. Rooted shoots (65\%) survived transfer to a sand/soil mixture. This report describes the protocol for micropropagation of P. pinnata using mature-tree-derived nodal meristems. Recycling of mature stock to produce a stream of useable shoots for subculturing and eventual stabilization is of great value and can possibly be generalized as an isolation protocol especially for woody species. Repeated proliferation of caulogenic buds from the same origin may also find application in rescue of endangered germplasm.

}, keywords = {Biodiesel, Pongam, Pongamia, shoot differentiation, thidiazuron}, issn = {1054-5476}, doi = {10.1007/s11627-007-9049-2}, author = {Sujatha, K. and Hazra, Sulekha} } @article { ISI:000249699500005, title = {Mitochondrial haplotypes reveal a strong genetic structure for three Indian sheep breeds}, journal = {Animal Genetics}, volume = {38}, number = {5}, year = {2007}, month = {OCT}, pages = {460-466}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

This survey represents the first characterization of mitochondrial DNA diversity within three breeds of Indian sheep (two strains of the Deccani breed, as well as the Bannur and Garole breeds) from different geographic regions and with divergent phenotypic characteristics. A 1061-bp fragment of the mitochondrial genome spanning the control region, a portion of the 12S rRNA gene and the complete phenyl tRNA gene, was sequenced from 73 animals and compared with the corresponding published sequence from European and Asian breeds and the European Mouflon (Ovis musimon). Analysis of all 156 sequences revealed 73 haplotypes, 52 of which belonged to the Indian breeds. The three Indian breeds had no haplotypes in common, but one Indian haplotype was shared with European and other Asian breeds. The highest nucleotide and haplotype diversity was observed in the Bannur breed (0.00355 and 0.981 respectively), while the minimum was in the Sangamneri strain of the Deccani breed (0.00167 and 0.882 respectively). All 52 Indian haplotypes belonged to mitochondrial lineage A. Therefore, these Indian sheep are distinct from other Asian and European breeds studied so far. The relationships among the haplotypes showed strong breed structure and almost no introgression among these Indian breeds, consistent with Indian sheep husbandry, which discourages genetic exchange between breeds. These results have implications for the conservation of India{\textquoteright}s ovine biodiversity and suggest a common origin for the breeds investigated.

}, keywords = {Genetic diversity, Indian sheep, mitochondrial DNA, mitochondrial lineage, phylogeographic distribution, sheep domestication}, issn = {0268-9146}, doi = {10.1111/j.1365-2052.2007.01636.x}, author = {Pardeshi, V. C. and Kadoo, Narendra Y. and Sainani, Mohini N. and Meadows, J. R. S. and Kijas, J. W. and Gupta, Vidya S.} } @article { ISI:000250584500016, title = {Multiutility sophorolipids as nanoparticle capping agents: synthesis of stable and water dispersible Co nanoparticles}, journal = {Langmuir}, volume = {23}, number = {23}, year = {2007}, month = {NOV}, pages = {11409-11412}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Sophorolipids are a class of glycolipids that can be obtained from fatty acids by simply treating them with yeast cells (Candida bombicola, ATCC 22214) and glucose. In this letter, we demonstrate the application of sophorolipids obtained from oleic acid as a capping agent for Co nanoparticles. Upon capping the nanoparticle surface, the sugar moiety of these sophorolipids is exposed to the solvent environment, making the nanoparticles stable and water-redispersible.

}, issn = {0743-7463}, doi = {10.1021/la702931j}, author = {Kasture, Manasi and Singh, Sanjay and Patel, Pitamber and Joy, Pattayil Alias and Prabhune, Asmita and Ramana, C. V. and Bhagavatula L. V. Prasad} } @article { ISI:000249893900002, title = {NaIO4/LiBr-Mediated direct conversion of benzylic alcohols and aromatic aldehydes to aromatic esters}, journal = {Synthetic Communications}, volume = {37}, number = {16}, year = {2007}, month = {AUG}, pages = {2641-2646}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Aromatic aldehydes or benzylic alcohols are directly converted to the corresponding aromatic esters in high yields on treatment with methanol or ethanol mediated by sodium metaperiodate (NaIO4)/LiBr in an acidic medium.

}, keywords = {aromatic ester, benazaldehyde, Benzyl alcohol, Lithium bromide, Sodium metaperiodate}, issn = {0039-7911}, doi = {10.1080/00397910701465032}, author = {Shaikh, Tanveer Mohammad Ali and Emmanuvel, Lourdusamy and Sudalai, Arumugam} } @article { ISI:000244127600016, title = {NaIO4-mediated asymmetric bromohydroxylation of alpha,beta-unsaturated carboxamides with high diastereoselectivity: a short route to (-)-cytoxazone and droxidopa}, journal = {Tetrahedron Letter}, volume = {48}, number = {8}, year = {2007}, month = {FEB}, pages = {1375-1378}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The NaIO4-mediated asymmetric bromohydroxylation of alpha,beta-unsaturated carboxamides was achieved using lithium bromide as the bromine source under acidic conditions at rt to afford the corresponding chiral alpha-bromo-beta-hydroxy carboxamides. Excellent yields (77-90\%) and diastereoselectivities (up to 10:1) along with exclusive control over regio- as well as anti-selectivity are the main features with a good scope of substrates. The method has successfully been applied in the enantioselective syntheses of two biologically important molecules, viz (-)-cytoxazone and L-threo-DOPS (droxidopa). (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {asymmetric bromohydroxylation, Carboxamide, cytoxazone, droxidopa, NaIO4}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.12.109}, author = {George, Shyla and Narina, Srinivasarao V. and Sudalai, Arumugam} } @article { ISI:000249838300014, title = {Nearly complete oxidation of Au(0) in hydrophobized nanoparticles to Au(3+) ions by N-bromosuccinimide}, journal = {Journal of Physical Chemistry C}, volume = {111}, number = {39}, year = {2007}, month = {OCT}, pages = {14348-14352}, publisher = {AMER CHEMICAL SOC}, type = {article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Au degrees atoms in hydrophobized gold nanoparticles were oxidized to Au(3+) ions, nearly quantitatively, simply by treatment with N-bromosuccinimide and sonication. (1)H NMR results indicate that the octadecylamine molecules are detached from the Au degrees surface by NBS. The bromine molecules released by NBS are suggested to be the species responsible for the oxidation of Au degrees to Au(3+), which is supported by the observation that addition of molecular bromine also leads to similar results. A gratifying feature is that the Au(3+) ions could be subsequently reduced back to An nanoparticles.

}, issn = {1932-7447}, doi = {10.1021/jp073717i}, author = {Singh, Sanjay and Bhagavatula L. V. Prasad} } @article {35}, title = {N,N {\textquoteleft},N {\textquoteleft}{\textquoteright}-Tri-Boc-guanidine (TBG): a common starting material for both N-alkyl guanidines and amidinoureas}, journal = {Tetrahedron Letter}, volume = {48}, number = {10}, year = {2007}, month = {MAR}, pages = {1725-1727}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

{In this Letter, we describe the unexpected reaction pattern of N,N{\textquoteright},N{\textquoteright}{\textquoteright}

}, keywords = {1-substituted-1H-1, 2, 3, 4-tetrazoles, Ionic liquid, sodium azide, substituted amine, triethyl orthoformate}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.01.055}, author = {Prabhakaran, Panchami and Sanjayan, Gangadhar J.} } @article {Huang, title = {Novel hybrid of clay, cellulose, and thermoplastics. I. preparation and characterization of composites of ethylene-propylene copolymer}, journal = {Journal of Applied Polymer Science}, volume = {104}, number = {4}, year = {2007}, month = {MAY}, pages = {2672-2682}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

{The present study is aimed to prepare hybrid materials by incorporating layered silicates and microcrystalline cellulose into thermoplastic polymer. Using ethylene-propylene (EP) copolymer as thermoplastic polymer matrix and maleated EP (MEP) copolymer as compatibilizer, three types of composites were prepared by (i) melt mixing of cellulose with thermoplastics [

}, keywords = {abrupt contraction, Arbitrary Lagrangian Eulerian, finite element, simulations}, issn = {0957-4166}, doi = {10.1002/app.25659}, author = {Kumar, Annamalai Pratheep and Singh, Raj Pal} } @article { ISI:000244119800006, title = {Novel one-pot three-component synthesis of 2,4-disubstituted-3H-benzo[b][1,4]diazepines in water}, journal = {Green Chemistry}, volume = {9}, number = {2}, year = {2007}, month = {NOV}, pages = {146-152}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel green and efficient one-pot three-component synthesis of 2,4-disubstituted-3H-benzo[b][1,4]diazepines in excellent isolated yields has been reported. The methodology initially involves the formation of ynones via coupling of a wide range of acid chlorides with terminal alkynes catalysed by Pd(OAc)(2) under copper-, ligand- and solvent-free conditions in just 10 min at rt followed by the Michael addition and cyclocondensation of o-phenylenediamines added in situ using water as a solvent at reflux temprature. In addition, the structure of the benzodiazepine was confirmed to be the diimino molecule and not the enamine by X-ray crystallographic analysis of the benzodiazepine 4b. The methodology is suitable for the operation in combi-chem mode to generate libraries of a diverse array of benzodiazepines. The methodology has been successful in achieving the twin green chemistry objectives of a solvent and ligand free operation and the use of water as a non-hazardous, inexpensive and readily available solvent in the sequential reaction steps performed in situ, thus combining the features of both economic and environmental advantages.

}, issn = {1463-9262}, doi = {10.1039/b610523h}, author = {Palimkar, Sanjay S. and Lahoti, Rajgopal J. and Srinivasan, Kumar V.} } @article { ISI:000243164000035, title = {Novel technique to prepare LiNbO3 at low temperature}, journal = {Materials Letter}, volume = {61}, number = {3}, year = {2007}, month = {FEB}, pages = {765-766}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Fresh niobium hydroxide was first precipitated from NbF5 solution using an aqueous ammonium hydroxide under basic conditions. Then a simple procedure of mixing lithium and niobium hydroxides together and heating at a low temperature (400 degrees C) produced pure ultrafine single phase LiNbO3 (LN). In the literature, this is the lowest temperature so far reported on the formation of LN. The phase content and lattice parameters are determined by X-ray diffraction (XRD). The average particle size and morphology were studied by transmission electron microscopy (TEM). (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, Electron microscopy, electronic materials, LiNbO3, X-ray diffraction}, issn = {0167-577X}, doi = {10.1016/j.matlet.2006.05.056}, author = {Samuel, V. and Gaikwad, A. B. and Jadhav, A. D. and Mirji, S. A. and Ravi, V.} } @article { ISI:000244106200013, title = {One step synthesis of chromium-containing periodic mesoporous organosilicas and their catalytic activity in the oxidation of cyclohexane}, journal = {Microporous and Mesoporous Materials}, volume = {99}, number = {3}, year = {2007}, month = {FEB}, pages = {334-344}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Chromium-containing ethane-bridged hybrid mesoporous materials (Cr-PMO) with uniform hexagonal arrangement were synthesized by two different synthesis routes using 1,2-bis(triethoxysilyl)ethane (BTEE) and tetraethyl orthosilicate (TEOS) as silica sources and alkyltrimethyl ammonium salts (ATMA) as surfactants. Powder X-ray diffraction, TEM, N-2 adsorption-desorption, FT-IR, in situ FT-Raman, UV-ViS, XPS, Si-29 MAS NMR and C-13 CP MAS NMR were used to probe the mesoporous structure and the nature of chromium sites in the hybrid catalyst matrix. PXRD, TEM and N-2 adsorption-desorption analysis showed that the original hexagonal structure of the materials is maintained after chromium substitution, while FT-Raman, UV-Vis and XPS analysis showed that chromium atoms exist in a highly dispersed state. The catalytic performance of the chromium-containing hybrid samples was tested in the liquid-phase oxidation of cyclohexane with aqueous hydrogen peroxide (H2O2) and non-aqueous tert-butylhydroperoxide (TBHP) as oxidants. The hybrid materials exhibited better catalytic activities and were more stable than the conventional Cr-MCM-41 catalyst. The higher catalytic activity of the new chromium-containing molecular sieves is attributed to the improved hydrophobicity of the materials and to the complementary structural features that facilitates the accessibility of cyclohexane to the active framework chromium sites. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {Cr-MCM-41, Cr-PMO, Cyclohexane, hybrid mesoporous materials, Oxidation}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.09.029}, author = {Shylesh, S. and Srilakshmi, Ch. and Singh, A. P. and Anderson, B. G.} } @article {43290, title = {One-step preparation of alpha-chlorostyrenes}, journal = {Tetrahedron Letters}, volume = {48}, year = {2007}, month = {JUL}, pages = {4869-4872}, abstract = {alpha-Chlorostyrenes were prepared via a one-step method involving Friedel-Crafts reaction of various aromatic substrates with acid chlorides in the presence of a heterogeneous Si-Fe catalyst. (c) 2007 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2007.05.065}, author = {Borate, Hanumant B. and Galkwad, Abaji G. and Maujan, Suleman R. and Sawargave, Sangmeshwer P. and Kalal, Kamalakar M.} } @article { ISI:000250085300004, title = {One-step preparation of nanosized Ag-PdCo-powder and its alloy formation at low temperature}, journal = {Synthesis and Reactivity in Inorganic Metal-Organic and Nano-Metal Chemistry}, volume = {37}, number = {7}, year = {2007}, month = {SEP}, pages = {531-539}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Nano-sized silver-palladium co-powder has been synthesized from silver nitrate-palladium chloride by wet chemical method. The present experimental conditions are applied for the first time for Ag-Pd co-powders wherein sodium formaldehyde sulfoxylate (SFS) has been used as an external reducing agent to simultaneously reduce respective metal salts. SFS reduces the metal salts at room temperature thus prevents formation of bigger particles of the respective metals in co-powder. Powder X-ray diffraction measurements ( XRD) and Transmission electron microscopy ( TEM) suggest the formation of nano-sized Ag-Pd co-powder with particle diameter in the range of about 25 nm. SEM shows that the powder morphology changes with temperature. Heat treatment of 90: 10 (Ag:Pd) composition showed shift in XRD peaks indicating alloy formation of Ag/Pd at lower temperature. Thick-films generated by use of the co-powder resulted in Ag/Pd alloy at about 500 degrees C as confirmed by the XRD. Thermal analysis showed that Ag/Pd co-powders initially gain the weight due to oxidation followed by the weight loss.

}, keywords = {alloy, Chemical synthesis, nano-powder, noble metal, Transition Metal}, issn = {1553-3174}, doi = {10.1080/15533170701563707}, author = {Khanna, P. K. and Singh, N. and Kulkarni, D. and Marimuthu, R. and Charan, Shobhit and Patil, K. R. and Jain, G. H.} } @article { ISI:000249771600036, title = {Organocatalytic activation of TMSCN by basic ammonium salts for efficient cyanation of aldehydes and imines}, journal = {Tetrahedron Letters}, volume = {48}, number = {40}, year = {2007}, month = {OCT}, pages = {7211-7214}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Basic ammonium salts act as highly effective catalysts for the cyanosilylation of aldehydes and in Strecker-type aminonitrile synthesis using TMSCN as cyanide source at 25 degrees C under extremely mild conditions, affording very good to excellent yields of silylated cyanohydrins and alpha-aminonitriles. (C) 2007 Published by Elsevier Ltd.

}, keywords = {aldehydes, aminonitriles, cyanohydrin, cyanosilylation, multicomponent reactions, TMSCN}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.07.188}, author = {Raj, I. Victor Paul and Suryavanshi, Gurunath and Sudalai, A.} } @article { ISI:000252092000023, title = {Organo-catalytic approach to the enantioselective synthesis of (R)-selegiline}, journal = {Tetrahedron}, volume = {63}, number = {39}, year = {2007}, month = {SEP}, pages = {9758-9763}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient enantioselective synthesis of (R)-selegiline has been achieved by two routes, via proline-catalyzed alpha-aminooxylation as well as alpha-amination of phenylpropanaldehyde as the key step. (c) 2007 Elsevier Ltd. All rights reserved.

}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.07.012}, author = {Talluri, Siva Kumar and Sudalai, Arumugam} } @article { ISI:000244735900014, title = {Organocatalytic sequential alpha-amination-horner-wadsworth-emmons olefination of aldehydes: enantioselective synthesis of gamma-amino-alpha,beta-unsaturated esters}, journal = {Organic Letters}, volume = {9}, number = {6}, year = {2007}, month = {MAR}, pages = {1001-1004}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A novel and highly enantioselective method for the synthesis of gamma-amino-alpha,beta-unsaturated esters via tandem alpha-amination-Horner-Wadsworth-Emmons (HWE) olefination of aldehydes is described. The one-pot assembly has been demonstrated for the construction of functionalized chiral 2-pyrrolidones, subunits present in several alkaloids.

}, issn = {1523-7060}, doi = {10.1021/ol063012j}, author = {Kotkar, Shriram P. and Chavan, Vilas B. and Sudalai, Arumugam} } @article { ISI:000251574400013, title = {Phosphine ligand and base-free, Pd-catalyzed oxidative cross-coupling reaction of arylboronic acids with arylmercuric acetates}, journal = {Arkivoc}, number = {14}, year = {2007}, month = {JAN}, pages = {126-133}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

Arylmercuric acetates have been found to undergo Suzuki type cross coupling reactions with arylboronic acids catalyzed by palladium salts in non-polar solvents under ambient conditions to give biaryl derivatives in high yields. The reaction is mild and does not require any organic or inorganic base nor a phosphine ligand.

}, keywords = {Arylboronic acid, arylmercuric acetate, palladium salts, Suzuki coupling}, issn = {1424-6376}, author = {Emmanuvel, Lourdusamy and Sudalai, Arumugam} } @article { ISI:000245141300053, title = {Photodegradation of ethylene/propylene/polar monomers, Co-, and terpolymers. II. prepared by Ni catalyst systems}, journal = {Journal of Applied Polymer Science}, volume = {104}, number = {3}, year = {2007}, month = {MAY}, pages = {1783-1791}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The copolymers of ethylene/propylene as well as their terpolymers with polar monomers were prepared by Ni-catalyst systems and their photodegradation behavior was studied by Fourier transform infrared spectroscopy. The polar monomers used to synthesize co- and terpolymers of ethylene/propylene/polar monomer were 5-hexen-1-ol, 10-undecen-1-ol, acrylamide, methylmethacrylate, acrylonitrile, and methylvinyl ketone. The morphological changes of the irradiated samples were determined by scanning electron microscopy. The photodegradation kinetics has also been studied. The surface damage caused by polychromatic irradiation (lambda \>= 290 nm) at 55 degrees C in atmospheric air is presented in different micrographs. The rate of photo-oxidative degradation is very fast in terpolymers containing polar monomers as compared with copolymers and homopolymers. The morphological study of the photodegraded samples showed a very good correlation with the photodegraded results. (c) 2007 Wiley Periodicals, Inc.

}, keywords = {copolymerization, Ethylene, Photodegradation, polar monomers, propylene}, issn = {0021-8995}, doi = {10.1002/app.25828}, author = {Fernandes, Susete N. and Correia, Sandra and Matos, Ines and Marques, Maria M. and Rana, Sravendra and Kumar, Bijandra and Gupta, M. K. and Singh, R. P.} } @article { ISI:000206190100007, title = {Photo-oxidation of EPDM/layered double hydroxides composites: influence of layered hydroxides and stabilizers}, journal = {Express Polymer Letters}, volume = {1}, number = {11}, year = {2007}, month = {NOV}, pages = {748-754}, publisher = {BUDAPEST UNIV TECHNOL \& ECON}, type = {Article}, address = {DEPT POLYMER ENG, MUEGYETEM RKP 3, BUDAPEST, H-1111, HUNGARY}, abstract = {

The photo-oxidation of ethylene propylene diene monomer (EPDM)/layered double hydroxide (LDH) composites as well as EPDM/LDH with stabilizers is studied under accelerated UV irradiation (lambda \>= 290 nm) at 60 degrees C for different time intervals. The development of functional groups during oxidation was monitored by FT-IR spectroscopy. The photo-degradation of the pristine polymer and composites take place and the increase in hydroxyl and carbonyl groups with irradiation times, was estimated. EPDM filled LDH showed higher degradation rate than pristine EPDM, while in acidic medium EPDM/LDH showed almost equal degradation as in isolated conditions. These results show the advantages of LDHs as a filler as well as an acid killer. The effect of stabilizers is very less because of their concentration in comparison of LDH.

}, keywords = {EPDM, layered double hydroxides, Photo-oxidation, polymer composites}, issn = {1788-618X}, doi = {10.3144/expresspolymlett.2007.103}, author = {Kumar, B. and Rana, S. and Singh, R. P.} } @article { ISI:000251014000004, title = {Photo-stabilization of EPDM-clay nanocomposites: effect of antioxidant on the preparation and durability}, journal = {Polymers for Advanced Technologies}, volume = {18}, number = {11}, year = {2007}, note = {International Conference on Frontier in Polymer Science and Technology, Calcutta, INDIA, FEB 10-12, 2006}, month = {NOV}, pages = {891-900}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

The present study is to examine the photo-stabilization effect of an antioxidant on the photo-oxidation of ethylene-propylene-diene monomer (EPDM)-clay nanocomposites. During the preparation of EPDM-clay nanocomposites via melt processing antioxidants are usually incorporated along with clay, which allows phenolic antioxidant molecules to get adsorbed onto acidic clay platelets and their interaction with metallic impurities reduces the stabilizing efficiency of the antioxidant. The nanocomposites were obtained by solution dispersion followed by melt compounding of EPDM and organophilic montmorillonite (OMMT). The samples were characterized by conventional tools such as X-ray diffraction (XRD), Fourier Transform Infra Red (FT-IR) spectroscopy, and thermo-gravimetric analysis (TGA). It was found, upon photo-irradiation (lambda \> 290 nm) studies by following the changes in functional groups and surface morphology, that photo-degradation was lowered by the antioxidant and the efficiency of the antioxidant could be improved by initial incorporation of antioxidant in the EPDM matrix. In EPDM-clay nanocomposites, a stabilizing activity of the antioxidant was observed above some threshold concentration of the antioxidant. The relationship between the nanoclay reinforcement and stabilizing efficiency in terms of photo-oxidation and surface morphology for their applicability are discussed. The methodology adopted for this study is also justified through our observation. Copyright (C) 2007 John Wiley \& Sons, Ltd.

}, keywords = {ethylene-propylene-diene monomer, nanocomposites photo-degradation antioxidant and stabilization}, issn = {1042-7147}, doi = {10.1002/pat.925}, author = {Lonkar, Sunil P. and Kumar, A. Pratheep and Singh, Raj Pal} } @article { ISI:000244210600007, title = {Poly(o-ethylaniline) coatings for stainless steel protection}, journal = {Progress In Organic Coatings}, volume = {58}, number = {1}, year = {2007}, month = {JAN}, pages = {54-63}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The poly(o-ethylaniline) coatings were electrochemically synthesized on 304-stainless steel by using cyclic voltammetry from an aqueous salicylate medium. Cyclic voltammetry, UV-vis absorption spectroscopy, Fourier transform infrared spectroscopy and scanning electron microscopy were used to characterize these coatings, which indicates that the aqueous salicylate solution is a suitable medium for the electrochemical polymerization of o-ethyaniline on 304-stainless steel. The performance of poly(o-ethylaniline) as protective coating against corrosion of 304-stainless steel in aqueous 3\% NaCl was evaluated by the open circuit potential measurements, potentiodynamic polarization technique, cyclic potentiodynamic polarization measurements and electrochemical impedance spectroscopy. The results of the potentiodynamic polarization and cyclic potentiodynamic polarization demonstrate that the poly(o-ethylaniline) coating provides excellent protection to both localized and general corrosion of 304-stainless steel. The corrosion potential was about 0.190 V more positive in aqueous 3\% NaCl for the poly(o-ethylaniline) coated steel than that of bare steel and reduces the corrosion rate of steel almost by a factor of 20. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Conducting polymer coatings, Corrosion resistant coatings, cyclic voltammetry, Electrochemical polymerization, poly(o-ethylaniline) coatings, stainless steel}, issn = {0300-9440}, doi = {10.1016/j.porgcoat.2006.12.001}, author = {Chaudhari, Sudeshna and Sainkar, S. R. and Patil, P. P.} } @article { ISI:000244257400014, title = {Practical and facile approach towards indole alkaloids: (-)-mitralactonine}, journal = {Synlett}, number = {1}, year = {2007}, month = {JAN}, pages = {79-82}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

An efficient approach to (-)-mitralactonine using Pictet-Spengler cyclisation with a highly functionalised masked aldehyde is described. Sharpless asymmetric dihydroxylation (SAD) is utilised to introduce chirality in the key substrate.

}, keywords = {alkaloids, asymmetric, cyclisations, dihydroxylations, thioacetats}, issn = {0936-5214}, doi = {10.1055/s-2006-958434}, author = {Chavan, Subhash P. and Sharma, Pallavi and Sivappa, Rasapalli and Kalkote, Uttam R.} } @article { ISI:000248145100016, title = {Preparation of enantiopure trans-1,2-cyclohexanediol and trans-2-aminocyclohexanol}, journal = {Synthetic Communications}, volume = {37}, number = {10}, year = {2007}, month = {MAY}, pages = {1727-1733}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Trans-1,2-cyclohexanediol and trans-2-aminocycloxexanol are useful chiral auxiliaries. Simple chemical resolution procedures for these molecules are presented.

}, keywords = {chemical resolution, chiral auxiliaries, epoxide-cleavage}, issn = {0039-7911}, doi = {10.1080/00397910701266075}, author = {Chatterjee, A. and Sasikumar, M. and Joshi, Navalkishore N.} } @article { ISI:000246260000011, title = {Preparation of nanocrystalline ferroelectric CaBi4Ti4O15 by citrate gel method}, journal = {Ceramics International}, volume = {33}, number = {4}, year = {2007}, month = {JAN}, pages = {569-571}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A gel was formed when an aqueous solution of CaCl2, BiNO3, TiOCl2 and citric acid in stoichiometric ratio is heated on a water bath. This gel on decomposition at 700 degrees C produced nano crystallites of the ternary oxide, CaBi4Ti4O15 (CBT). The phase contents and lattice parameters were studied by the powder X-ray diffraction (XRD). Particle size and morphology was studied by transmission electron spectroscopy (TEM). The room temperature dielectric constant at 1 kHz is 390. The ferroelectric hysteresis loop parameters of these samples were also studied by a home-built Sawyer-tower circuit. (c) 2006 Elsevier Ltd and Techna Group S.H. All rights reserved.

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray methods}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2005.11.006}, author = {Murugan, A. Vadivel and Gaikwad, A. B. and Samuel, V. and Ravi, V.} } @article { ISI:000249921800011, title = {Production and partial characterization of two types of phytase from aspergillus niger NCIM 563 under submerged fermentation conditions}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {23}, number = {11}, year = {2007}, month = {NOV}, pages = {1585-1593}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Novel extracellular phytase was produced by Aspergillus niger NCIM 563 under submerged fermentation conditions at 30 degrees C in medium containing dextrin and glucose as carbon sources along with sodium nitrate as nitrogen source. Maximum phytase activity (41.47 IU/mL at pH 2.5 and 10.71 IU/mL at pH 4.0) was obtained when dextrin was used as carbon source along with glucose and sodium nitrate as nitrogen source. Nearly 13 times increase in phytase activity was observed when phosphate in the form of KH2PO4 (0.004 g/100 mL) was added in the fermentation medium. Physic-chemical properties of partially purified enzyme indicate the possibility of two distinct forms of phytases, Phy I and Phy II. Optimum pH and temperature for Phy I was 2.5 and 60 degrees C while Phy II was 4.0 and 60 degrees C, respectively. Phy I was stable in the pH range 1.5-3.5 while Phy II was stable in the wider pH range, 2.0-7.0. Molecular weight of Phy I and Phy II on Sephacryl S-200 was approximately 304 kDa and 183 kDa, respectively. Phy I activity was moderately stimulated in the presence of 1 mM Mg2+, Mn2+, Ca2+ and Fe3+ ions and inhibited by Zn2+ and Cd2+ ions while Phy II activity was moderately stimulated by Fe3+ ions and was inhibited by Hg2+, Mn2+ and Zn2+ ions at 1 mM concentration in reaction mixture. The Km for Phy I and II was 3.18 and 0.514 mM while Vmax was 331.16 and 59.47 mu mols/min/mg protein, respectively.

}, keywords = {Aspergillus niger, Phytase, phytate degradation, Poultry feed supplement, Submerged fermentation}, issn = {0959-3993}, doi = {10.1007/s11274-007-9404-9}, author = {Soni, Sarvesh Kumar and Khire, Jayant Malhar} } @article { ISI:000249627100034, title = {Propargyl 1,2-orthoesters as glycosyl donors: stereoselective synthesis of 1,2-trans glycosides and disaccharides}, journal = {Tetrahedron Letters}, volume = {48}, number = {37}, year = {2007}, month = {SEP}, pages = {6564-6568}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Propargyl 1,2-orthoesters are identified as glycosyl donors. Various glycosides and disaccharides were synthesized in a stereoselective manner using AuBr3 as the promoter. AuBr3 may activate the alkyne resulting in the formation of a 1,2-dioxolenium ion and also behaves as a Lewis acid to facilitate the attack of the glycosyl acceptor. The versatility of the protocol was demonstrated using a panel of aglycones comprising aliphatic, alicyclic, steroidal and sugar alcohols. (C) 2007 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.07.015}, author = {Sureshkumar, Gopalsamy and Hotha, Srinivas} } @article { ISI:000244292900012, title = {Purification by silica gel chromatography using dialysis tubing and characterization of sophorolipids produced from Candida bombicola grown on glucose and arachidonic acid}, journal = {Biotechnology Letters}, volume = {29}, number = {2}, year = {2007}, month = {FEB}, pages = {267-272}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The yeast Candida bombicola (ATCC 22214) grown on primary carbon source glucose (100 g l(-1)) and secondary carbon, arachidonic acid (2 g l(-1)) produced mixture of sophorolipids up to 1.44 g l(-1). The crude product was a heterogeneous mixture of sophorolipids, which are glycolipids of sophorose linked to the fatty acid through glycosidic bond between omega and omega-1 carbon of arachidonic acid. The derived sophorolipids were isolated by silica gel chromatography using dialysis tubing. The purified sophorolipids were characterized by ESI-MS and FT-IR. Acid hydrolysis of the resolved sophorolipids were characterized by ESI-MS for the presence of 20-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid (20-HETE) and 19-hydroxy-5Z,8Z,11Z,14Z-eico-satetraenoic acid (19-HETE), compounds of pronounced pharmaceutical importance.

}, keywords = {19-HETE, 20-HETE, arachidonic acid, electrospray soft ionization mass spectroscopy, silica gel chromatography, Sophorolipid}, issn = {0141-5492}, doi = {10.1007/s10529-006-9221-5}, author = {Shah, Sachin and Prabhune, Asmita} } @article { ISI:000242960400016, title = {Rate enhancement in palladium catalyzed Heck reactions by Lewis acid promoters}, journal = {Catalysis Communications}, volume = {8}, number = {2}, year = {2007}, month = {FEB}, pages = {183-186}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Significant enhancement in the rate of Heck reactions has been achieved when catalytic amounts of Lewis acid (like FeCl(3)) promoters in the presence of trace amounts of water (\> 2000 ppm) are used along with Pd complex catalysts. Experiments with different aryl halides, bases as well as olefins have been carried out to demonstrate the role of Lewis acid promoters. The increase in the reaction rates is due to the weakening of Ar-X bond by the Lewis acid in the manner similar to Friedel-Crafts reaction. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {Heck reaction, Lewis acid, Palladium, Promoters}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.05.043}, author = {Sud, Abhishek and Deshpande, Raj Madhukar and Chaudhari, Raghunath V.} } @article {Mueller, title = {Reactions of o-aminothiophenol and o-aminophenyl disulfide with itaconic anhydride and (-)-dimenthyl itaconate: access to enantiomerically pure 1,5-benzothiazepines and benzothiazolyl-2-methylacrylic acid}, journal = {Synthesis-Stuttgart}, number = {3}, year = {2007}, month = {FEB}, pages = {457-463}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

{A facile chemo- and regioselective reactions of o-aminothiophenol (o-ATP) with itaconic anhydride is described. 1,5-Benzothiazepinyl-3-acetic acid is obtained in 81\% yield via the exclusive Michael type addition of the thiol unit from o-ATP to the carbon-carbon double bond in itaconic anhydride followed by an intramolecular anhydride ring opening with an amine unit. The moderately stereoselective Michael type addition of the thiol unit from o-ATP to (-)-dimenthyl itaconate to obtain a mixture of diastereomers in a 7:3 ratio in 82\% yield has been demonstrated. The reductive sulfur-sulfur bond cleavage in the dicarboxylic acid, 2({2-[2-(3-carboxybut-3-enoylamino)phenyidisulfanyl]phenylcarbamoyl\

}, keywords = {Magnetic nanoparticles, magnetic properties, spin glasses}, issn = {0936-5214}, doi = {10.1055/s-2006-958977}, author = {Baag, Md. Merajuddin and Sahoo, Manoj Kumar and Puranik, Vedavati G. and N. P. Argade} } @article { ISI:000249864300018, title = {Regio- and stereoselective synthesis of beta-amino alcohols over titanosilicate molecular sieves}, journal = {Applied Catalysis A-General}, volume = {330}, year = {2007}, month = {OCT}, pages = {145-151}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel application of titanosilicate molecular sieves in the synthesis of P-amino alcohols via aminolysis of epoxides, at mild and solvent-free conditions, is reported, for the first time. A range of beta-amino alcohols with nearly 100\% regio- and stereoselectivity was produced over these reusable solid catalysts in high yields. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Aminolysis of epoxides, synthesis of beta-amino alcohols, Ti-MCM-41, titanosilicate molecular sieves}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.07.019}, author = {Satyarthi, Jitendra K. and Saikia, Lakshi and Srinivas, Darbha and Ratnasamy, P.} } @conference {42803, title = {Removal of AS(III) and AS (V) from contaminated water sources by sorption onto novel pei-attached poly(hipe) beads", paper presented at international conference on ?role of analytical chemistry in nuclear technology?}, booktitle = {Role of Analytical Chemistry in Nuclear Technology}, year = {2007}, month = {DEC}, address = {BARC, Mumbai, India}, author = {Ingavle, Ganesh C. and Tayal, Rajeev and Shaikh, Wasif Abdul Lateef and Chaudhari, Sanjeev and Chavan, Nayaku and Rajan, Chelanattukizhakkemadath Raman and Ponrathnam, Surendra} } @article { ISI:000250278300038, title = {Role of ionic diffusion in polymer gel mediated growth (PMG) technique for the synthesis of nanoparticulate fillers}, journal = {Materials Chemistry and Physics}, volume = {105}, number = {2-3}, year = {2007}, month = {OCT}, pages = {348-353}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Polymer mediated growth (PMG), which forms an important method for synthesis of nanoparticles, has one of the ions bound by polymer matrix while the other is allowed to diffuse and react to form desired compound. The exact role of ionic diffusion in the formation of nanoparticles has been investigated by taking specific case studies. Typically calcium carbonate, calcium phosphate and calcium sulfate have been formed in nano-size by PMG route using polyacrylamide gel. The extent of cross-linking of the polymer matrix in the formation of gel, affects the diffusivity of ions into polymer matrix and the size of particles formed. The rates of diffusion for different extents of cross-linking of polymer are estimated during the synthesis of nanoparticles using Fick{\textquoteright}s law. The inter-correlation between the particle size formation and the diffusion length has been clearly brought out in these studies. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {ionic diffusion, nanoparticulate fillers, polymeric gels}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2007.04.071}, author = {Sonawane, Pradip S. and Biradar, Santoshkumar S. and Radhakrishnan, S. and Kulkarni, B. D.} } @article { ISI:000245500200046, title = {Scanning tunneling microscopy/spectroscopy on Au nanoparticles assembled using lauryl amine (LAM) and octadecane thiol (ODT)}, journal = {Applied Surface Science}, volume = {253}, number = {11}, year = {2007}, month = {MAR}, pages = {5109-5115}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In this report, we demonstrate scanning tunneling microscopy and spectroscopy on thin filins of lauryl amine (LAM) and octadecane thiol (ODT) protected gold nanoparticles. We show that the zero current in the I-V curves (measure of Coulomb blockade (CB) of the nanoparticles) depends on the properties of the spacer molecule. In both the cases the gap voltage and the tunneling current at which the images are obtained are quite different which is further confirmed from the fitting performed based on the orthodox theory. The values for the capacitance and charging energy obtained from the fitting for ODT capped particles are comparable to the values obtained using spherical capacitor model. In contrast, values of these parameters were found to differ for LAM capped nanoparticles. While imaging, ODT capped nanoparticles were observed to drag along the scan direction leading to ordering of particles. Images of LAM capped gold nanoparticles show local ordering in self-assembly of particles although no evidence of large scale ordering in spatial Fourier transform was seen. These observations suggest that nanoparticles with larger CB would be intaged nonevasively in contrast to small CB systems for which tip induced effects will be dominant. In both the systems the current was found to rise faster than theoretical curves based on the orthodox theory suggesting that mechanism of charge transfer in this case may involve field emission rather than tunneling through a rectangular barrier. An attempt has been made to explain charge transfer based on Fowler-Nordheim (F-N) plots of the I-V curves. (c) 2006 Elsevier B.V All rights reserved.

}, keywords = {Nanostructures, scanning tunneling microscopy (STM)}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2006.11.038}, author = {Datar, Suwarna and Chaudhary, Minakshi V. and Sastry, Murali and Dharmadhikari, C. V.} } @article { ISI:000247606200011, title = {Semi-synthesis of deoxyartemisinin}, journal = {Mendeleev Communications}, volume = {17}, number = {1}, year = {2007}, month = {JAN}, pages = {27-28}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The reaction of artemisinin with aluminium-nickel chloride hexahydrate in THF or nickel boride in MeOH furnishes deoxyartemisinin in an excellent yield.

}, issn = {0959-9436}, doi = {10.1016/j.mencom.2007.01.011}, author = {Bhattacharya, Asish K. and Pathak, Ashish K. and Sharma, Ram P.} } @article { ISI:000254309400007, title = {Shape resonance in electron molecule scattering using coupled cluster method}, journal = {Indian Journal of Physics and Proceedings of the Indian Association for the Cultivation of Science}, volume = {81}, number = {10}, year = {2007}, month = {OCT}, pages = {1061-1067}, publisher = {INDIAN ASSOC CULTIVATION SCIENCE}, type = {Article}, address = {INDIAN J PHYSICS, JADAVPUR, KOLKATA 700 032, INDIA}, abstract = {

The Fock space multi-reference coupled-cluster (FSMRCC) method along with the complex absorbing potential (CAP) is used for the study of the shape resonance energy and width in an electron molecule collision. We study the shape resonances in e(-) -H2CO and e(-) -CO.

}, keywords = {electron-molecule scattering, multi-reference coupled-cluster}, issn = {0973-1458}, author = {Pal, Sourav and Vaval, Nayana and Sajeev, Y.} } @article {17}, title = {Short synthesis of (+)-harzialactone A and (R)-(+)-4-hexanolide via proline-catalyzed sequential alpha-aminooxylation and horner-wadsworth-emmons olefination of aldehydes}, journal = {Tetrahedron-Asymmetry}, volume = {18}, number = {16}, year = {2007}, month = {AUG}, pages = {1795-1798}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

{In melts, ring polymers assume more compact conformations compared to linear chains with the same degree of polymerization N-r, i.e. R-r similar to N-r(nu) with nu approximate to 0.4, where R-r is the radius of gyration. Upon gradually substituting some of the ring polymers with linear chains, the ring molecules swell. In the limit of infinite dilution, their size scales as R-r similar to N-r(0.5). We present a scaling argument based on the blob model to capture this transition. Ring-linear blends are modeled as a semidilute solution of ring polymers in a theta-solvent consisting of linear chains. The model predicts that the size of the ring polymer remains unchanged up to the overlap concentration c(r)(*

}, keywords = {core-shell nanoparticles, Gold, HRTEM, interfacial seeded growth, Silver, XPS}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2007.07.031}, author = {Kotkar, Shriram P. and Suryavanshi, Gurunath S. and Sudalai, Arumugarn} } @article { ISI:000246157500021, title = {Solid-state structures of 4-carboxyphenylboronic acid and its hydrates}, journal = {Crystal Growth \& Design}, volume = {7}, number = {5}, year = {2007}, month = {MAY}, pages = {944-949}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Solid-state structures of 4-carboxyphenylboronic acid (1a) and its mono- and quarter-hydrates (1b and 1c, respectively) obtained by crystallization from different solvents, acetone, methanol, and 2-proponal, respectively, have been reported. In the anhydrous and monohydrate structures (1a and 1b), the H-atoms on the -B(OH)(2) functional group exist in syn-syn conformation, but syn-anti conformation was found in the quarter-hydrate structure. While 1a and 1b crystallize through interactions between -B(OH)(2) and -COOH groups (heteromeric), homomeric interactions of the functional groups (COOH center dot center dot center dot COOH and B(OH)(2)center dot center dot center dot B(OH)(2)) were observed in 1c. In addition, although similar interactions prevail in 1a and 1b, the latter crystallizes in a noncentrosymmetric space group Ccc2, registering itself as a unique structure with unusual catenation features with the aid of water molecules. However, 1a and 1c show many common features in the molecular arrangement in the crystal lattices with the formation of sheet structures.

}, issn = {1528-7483}, doi = {10.1021/cg060860c}, author = {SeethaLekshmi, Nanappan and Pedireddi, Venkateswara Rao} } @article { ISI:000250399300023, title = {Spectroscopic and catalytic properties of SBA-15 molecular sieves functionalized with acidic and basic moieties}, journal = {Microporous and Mesoporous Materials}, volume = {105}, number = {1-2}, year = {2007}, month = {SEP}, pages = {170-180}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

SBA-15, grafted with Lewis acidic Ti4+ ions and basic amines (imidazole, guanine or adenine) exhibited high catalytic activity in the cycloaddition of CO2 to epoxides yielding selectively cyclic carbonate precursors of polycarbonates. In the second class of materials, the surface of SBA-15 was grafted with thiol or sulfonic acid functionalities. Mn(Salen)Cl was, then, covalently bound to these acidic groups. The resulting catalysts show enhanced chemo-, regio- and stereo-selective catalytic activity in the epoxidation of terpenes such as R-(+)limonene, alpha-pinene and Delta-carene with molecular oxygen. The acid-base properties of these modified SBA- 15 materials were investigated by temperature-programmed desorption and diffuse-reflectance infrared Fourier transform spectroscopy. Ammonia and pyridine were used as probe molecules for acidic sites and CO2 for basic sites. Acidic Ti sites activated epoxides and the grafted basic amines activated CO2. The simultaneous presence of both acidic and basic sites on amine/adenine-functionalized Ti-SBA-15 enabled synergistic enhancement in catalytic activity in the cycloaddition reaction of CO2 to epoxides. When Mn(Salen)Cl was immobilized on thiol or sulfonic acid-functionalized SBA-15, the oxidation state of Mn decreased from +3 to +2. The organo-acidic functional groups (thiol or sulfonic acid) axialk, coordinated to Mn ions modified the electronic structure of Mn ions enhancing the activity and selectivity of Mn(Salen) complexes in aerial oxidation reactions. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {aerial oxidation of terpenes, CO2 utilization, cyclic carbonates synthesis, epoxidation, functionalization with acidic and basic moieties, immobilization of Mn complexes, organo-functionalization of SBA-15, solid acid-base catalysts}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.05.024}, author = {Srinivas, D. and Ratnasamy, P.} } @article { ISI:000244909500021, title = {Spider silk as an active scaffold in the assembly of gold nanoparticles and application of the gold-silk bioconjugate in vapor sensing}, journal = {Small}, volume = {3}, number = {3}, year = {2007}, month = {MAR}, pages = {466-473}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Spider silk is being viewed with interest by materials scientists due to its excellent resilience and mechanical properties. In this paper we show that spider silk is an excellent scaffold for the one-step synthesis and assembly of gold nanoparticles. Formation of a gold nanoparticle-spider-silk bioconjugate material is accomplished by simple reaction of the fibers with aqueous chloroauric acid. The gold nanoparticles thus formed are strongly bound to the spider-silk fiber surface enabling study of the electrical properties of the nano bioconjugate. Using the well-known contraction/expansion behavior of the fibers in solvents of varying polarity, we show that exposure of the gold nanoparticle-spider silk bioconjugate to vapors of methanol and chloroform leads to changes in electrical transport through the nanoparticles and thus, the possibility of developing a vapor sensor. The bioconjugate shows excellent response time and cycling efficiency to methanol vapors. The activation energy of electron transport from one gold nanoparticle to another in the nanobiocojugate was determined from temperature-dependent electron-transport measurements to be approximately 1.7 eV.

}, keywords = {bioconjugates, Gold, Nanoparticles, sensors, spider silk}, issn = {1613-6810}, doi = {10.1002/smll.200600413}, author = {Singh, Amit and Hede, Shantesh and Sastry, Murali} } @article {34}, title = {Stabilization of gamma-sterilized biomedical polyolefins by synergistic mixtures of oligomeric stabilizers. part II. polypropylene matrix}, journal = {Polymer Degradation and Stability}, volume = {92}, number = {2}, year = {2007}, month = {FEB}, pages = {299-309}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0167-577X}, author = {Alariqi, Sameh A. S. and Kumar, A. Pratheep and Rao, B. S. M. and Singh, R. P.} } @article { ISI:000251217800008, title = {Stereoselective hydrogenation of tert-butylphenols over charcoal-supported rhodium catalyst in supercritical carbon dioxide solvent}, journal = {Journal of Catalysis}, volume = {252}, number = {1}, year = {2007}, month = {NOV}, pages = {57-68}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Hydrogenation of 2-, 3-, and 4-tert-butylphenols was studied over a charcoal- supported rhodium catalyst in supercritical carbon dioxide (scCO(2)) solvent, and the results were compared with those in organic solvents. In the hydrogenation of 4-tert-butylphenol, a higher cis ratio for 4-tert-butylcyclohexanol (0.79) was obtained in scCO(2) (10 MPa) than in 2-propanol (0.70) and cyclohexane (0.64) under similar conditions of hydrogen pressure (2 MPa) and temperature (313 K). In the case of 2-tert-butylphenol, the cis ratio for 2-tert-butylcyclohexanol was as high as 0.95 in both scCO(2) and 2-propanol (hydrogen pressure, 2 MPa; reaction temperature, 313 K). In the case of hydrogenation of 3-tert-butylphenol, the cis ratio decreased with the progression of consecutive hydrogenation of 3-tert-butylcyclohexanone intermediate. In addition, the stereoselectivity to cis-tert-butylcyclohexanols in scCO(2) was improved in the presence of hydrochloric acid. It was found that the protons of hydrochloric acid accelerated the hydrogenation of the intermediates, tert-butylcyclohexanones, to the corresponding cis-tert-butylcyclohexanols. The hydrogenation mechanism of tert-butylphenols, particularly the enhanced selectivity to cis-tert-butylcyclohexanols in scCO(2), is postulated based on the observed reaction profiles. (c) 2007 Elsevier Inc. All rights reserved.

}, keywords = {charcoal-supported rhodium catalyst, stereoselective hydrogenation, supercritical carbon dioxide solvent, tert-butylcyclohexanol}, issn = {0021-9517}, doi = {10.1016/j.jcat.2007.08.01}, author = {Hiyoshi, Norihito and Rode, Chandrashekhar V. and Sato, Osamu and Tetsuka, Hiroyuki and Shirai, Masayuki} } @article {42464, title = {Stereoselective synthesis of 3,4-trans-disubstituted γ-lactams by cerium(iv) ammonium nitrate mediated radical cyclization of cinnamamides}, journal = {Synthesis-Stuttgart}, year = {2007}, month = {MAR}, pages = {1179-1184}, type = {Article}, abstract = {

A facile synthesis of 3,4-trans-disubstituted γ-lactams was developed, consisting of the radical cyclization of cinnam-amides mediated by cerium(IV) ammonium nitrate. The single-electron-transfer (SET) reaction of the methoxystyrenyl moiety mediated by cerium(IV) ammonium nitrate gives rise to a cation radical, whose cyclization followed by reaction with oxygen and methanol generates 3,4-trans-disubstituted γ-lactams.

}, keywords = {cerium(IV) ammonium nitrate - intramolecular cyclization - cinnamamides - single electron transfer - γ-lactams}, doi = {10.1055/s-2007-965981}, author = {Nair, Vijay and Mohanan, Kishor and Suja, Tachapully D. and Biju, Akkattu T.} } @article { ISI:000244732800019, title = {Stereoselective synthesis of 3-alkylidene/alkylazetidin-2-ones from azetidin-2,3-diones}, journal = {Tetrahedron}, volume = {63}, number = {11}, year = {2007}, month = {MAR}, pages = {2524-2534}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Azetidin-2,3-diones have been used as synthons for the synthesis of C-3 alkylidene/alkylazetidin-2-ones. Some of the 3-alkylazetidin-2-ones are well known for their cholesterol absorption inhibitor activity. A regio and stereoselective Grignard reaction on a keto group followed by dehydration using PPh3/CCl4 reagent is a key step in this synthesis. Hydrogenation of the 3-alkylideneazetidin-2-ones provided stereoselectively cis-3-alkylazetidin-2-ones in very good yields. (c) 2006 Published by Elsevier Ltd.

}, keywords = {3-diones, azetidin-2, azetidin-2-ones, beta-lactam, Grignard reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2006.12.010}, author = {Tiwari, Dharmendra Kumar and Shaikh, Ashif Y. and Pavase, Laxmikant S. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article {42594, title = {Structure control for fine tuning fluorescence emission from side-chain azobenzene polymers}, journal = {Journal of Physical Chemistry B}, volume = {111}, year = {2007}, month = {MAY}, pages = {6364{\textendash}6373}, type = {Article}, abstract = {

New fluorescent azobenzene dyes and side-chain polymers have been synthesized and characterized and their photophysical properties studied. A series of azobenzene dyes having different fluorophores such as phenol (S1), phenylphenol (S2) and naphthol (S3) incorporated in them were synthesized. S2 had unusually high fluorescence with a quantum yield of φf = 0.2 recorded in dichloromethane (DCM), whereas S1 and S3 were found to be weakly fluorescent. The azobenzene dyes were converted into methacrylate monomers having short ethyleneoxy spacers and then free radically polymerized. Phenylphenol-based azobenzene polymer (P2) continued to show fluorescence, whereas fluorescence was completely quenched in the case of phenol (P1)- and naphthol (P3)-based polymers. Phenylphenol, though twisted in the ground state is known to have a more planar geometry in the excited statea factor that enables it to retain its fluorescence behavior even when it is incorporated as part of an azobenzene unit. In contrast, naphthol, which is a better fluorophore compared to phenylphenol, loses much of its emissive behavior upon coupling to the azobenzene unit. The extent of trans to cis photoisomerization in solution was very low (\~{}17\%) for P2 after 30 min of continuous irradiation using 365 nm light, in contrast to \~{} 40\% for P1 under identical conditions. This is attributed to the steric repulsion brought about by the bulky phenylphenol units that restrict rotation. A 2-fold enhancement in fluorescence emission was observed for P2 upon irradiation by UV light at 360 nm, which relaxed to the original intensity in about 7 day{\textquoteright}s time. The higher emission of the cis azobenzenes is generally attributed to an inhibition of photoinduced electron transfer (PET) mechanism. The emission of P2 showed a concentration dependence which increased initially and then decreased in intensity with the formation of a new red-shifted peak at higher concentration due to aggregation. Irradiation of the fluorescence quenched highly concentrated (1 {\texttimes} 10-3 M) sample of P2 showed an enhancement in emission from aggregates at 532 nm.

}, doi = {10.1021/jp071303j}, author = {Smitha, P. and Asha, S. K.} } @article { ISI:000246066000033, title = {Sulfonamide- and hydrazine-based palladium catalysts: stable and efficient catalysts for C-C coupling reactions in aqueous medium}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {269}, number = {1-2}, year = {2007}, month = {MAY}, pages = {218-224}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Syntheses of a novel family of sulfonamide-based palladium complexes and phenylhydrazine-based palladacycles are described. These catalysts are thermally stable, and not sensitive to air and moisture and some are completely soluble in water. These catalysts have shown excellent activity (good yields and high turnover numbers) and product selectivity in several arylation reactions including Suzuki, Heck, and Sonogashira reactions carried out totally under aqueous conditions. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {arylation reaction, Heck reaction, palladium catalyst, Sonogashira reaction, Suzuki coupling reaction}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.12.023}, author = {Kumar, N. S. C. Ramesh and Raj, I. Victor Paul and Sudalai, A.} } @article { ISI:000249091400025, title = {Sulfonic acid functionalized mesoporous silicas and organosilicas: synthesis, characterization and catalytic applications}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {274}, number = {1-2}, year = {2007}, month = {SEP}, pages = {153-158}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Ethane bridged mesoporous organosilicas and MCM-41 having sulfonic acid groups in the pore channels were prepared by co-condensation method as well as grafting method, using 3-mercaptopropyltriethoxysilane (3-MPTS) as the sulfur precursor. TEM and N-2 sorption isotherm analysis revealed that the mesoporous structural ordering is retained after the functionalization and modifications of organic groups while FT-IR, Raman, XPS and solid-state C-13 CP MAS NMR shows the presence of sulfonic acid groups and the stability of the mesoporous framework. The catalytic activity of the developed materials was evaluated in the liquid phase Claisen-Schmidt condensation reaction of acetophenone with benzaldehyde, to probe the effect of mesoporous support surfaces as well as the role of preparation methods. Results showed that sulfonic acid functionalized ethane-silica samples were more active, selective and stable than the conventional sulfonic acid containing mesoporous catalysts. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {condensation, ethane-silica, heterogeneity, sulfonic acids}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.04.040}, author = {Shylesh, S. and Samuel, Prinson P. and Srilakshmi, Ch. and Parischa, Renu and Singh, A. P.} } @article { ISI:000249948100006, title = {Supramolecular architecture in some 4-halophenylboronic acids}, journal = {Crystal Growth \& Design}, volume = {7}, number = {10}, year = {2007}, month = {OCT}, pages = {1958-1963}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Crystal structures of 4-chloro- and 4-bromophenylboronic acids (1 and 2) and hydrates of 2 and 4-iodophenylboronic acid in two different forms (2a, 3a, and 3b), which were characterized by single-crystal X-ray diffraction methods, are reported. In structures I and 2, -B(OH)2 forms a syn-anti conformation, but it exists in syn-syn as well as anti-anti conformations in the hydrated structures 2a, 3a, and 3b. In all the structures, the molecules are held together by O-H center dot center dot center dot O interactions formed by -B(OH)2 groups. The C-H center dot center dot center dot X (X = Cl, Br, and I) interactions play an important role in crystal packing. In 2, Br center dot center dot center dot Br interactions are also observed. Interestingly, all the three hydrates form similar types of three-dimensional structures with the formation of channels, which are occupied by water molecules. The two hydrates of 4-iodophenylboronic acid (3a and 3b) are distinguishable on the basis of O center dot center dot center dot O short contacts, with an identical host lattice of the boronic acid.

}, issn = {1528-7483}, doi = {10.1021/cg060863p}, author = {Shimpi, Manishkumar R. and SeethaLekshmi, Nanappan and Pedireddi, Venkateswara Rao} } @article { ISI:000249169900033, title = {Surface-state-mediated electron transfer at nanostructured ZnO multipod/electrolyte interfaces}, journal = {Journal of Physical Chemistry C}, volume = {111}, number = {35}, year = {2007}, month = {SEP}, pages = {13092-13102}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Redox kinetics of cyanoferrate(III) species adsorbed at an n-type ZnO multipod/electrolyte interface is explored using electrochemical techniques like cyclic voltammetry and impedance spectroscopy. The electrochemical impedance results are analyzed using a fluctuating energy level model, assuming isoenergetic tunneling of majority carriers through the Helmholtz layer. A shift in the slope of Mott-Schottky plots (C-sc(-2) versus E) together with evidence from cyclic voltammetry shows that the electron-transfer process is mediated by surface states formed because of the adsorption of ferricyanide ions (as evident from the results of Fourier transform infrared spectroscopy). More significantly, the pH of zero charge (point of zero zeta potential, pzzp) of ZnO multipods is found to be 4.5 (from capacitance vs pH plots) compared to that of bulk ZnO (pH 9.5), which could be explained on the basis of a lowering in the work function of the nanostructured semiconductor and its consequent susceptibility to the formation of surface states. This is in excellent agreement with our earlier observation of ultralow threshold field emission with this material in the light of the linear dependence of pzzp with work function of the electrode material. The flat-band potential of the nanostructures is found to be 200 mV more negative than that reported for bulk n-type ZnO electrodes, indicating a higher doping density in the former. A three-dimensional mapping of charge distribution in the surface states is attempted by correlating the capacitance response of the system subjected to a sinusoidal potential modulation to the semiconductor electrode with that resulting from a systematic variation of the redox potential of the dissolved acceptor (achieved by varying the pH of the electrolyte) which further reveals the polyenergetic nature of the surface states.

}, issn = {1932-7447}, doi = {10.1021/jp072695x}, author = {Parthasarathy, Meera and Ramgir, Niranjan S. and Sathe, Bhaskar R. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article { ISI:000245141300028, title = {Synthesis and characterization of hindered amine light stabilizers based on end functionalization of polypropylene}, journal = {Journal of Applied Polymer Science}, volume = {104}, number = {3}, year = {2007}, month = {MAY}, pages = {1596-1602}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A polymeric hindered amine light stabilizer (HALS), where HALS moiety was attached at the terminal end of the polypropylene chain via end-functionalized vinylidine PP through simple organic reactions, was synthesized. It comprises the synthesis of vinylidine-terminated polypropylene by using Cp2ZrCl2/MAO as catalyst system and epoxidation of vinylidene polypropylene. The final product was synthesized by carrying out the reaction between epoxy end functionalized polypropylene and 4-amino-2,2,6,6-tetrametyl piperidine. The final product was characterized by using H-1 NMR, C-13 NMR, and FT-IR spectra. Functionality was calculated by using vapor phase osmometry and H-1 NMR. The solubility and diffusion coefficient of the product were calculated and also its stabilization performance was checked. (c) 2007 Wiley Periodicals, Inc.

}, keywords = {end functionalization, functionalization of polymers, polymeric HALS, polypropylene, vinylidine and photostabilization}, issn = {0021-8995}, doi = {10.1002/app.25745}, author = {Reddy, K. Raghunatha and Kumar, Bijendra and Rana, Sravendra and Tevtia, Amit K. and Singh, R. P.} } @article { ISI:000250410500033, title = {Synthesis and characterization of new aromatic polyesters containing biphenyl side groups}, journal = {Journal of Applied Polymer Science}, volume = {106}, number = {5}, year = {2007}, month = {DEC}, pages = {3105-3110}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Aromatic polyesters containing biphenyl side groups were synthesized by phase-transfer catalyzed interfacial polycondensation of 1-(4-biphenylyl)-1,1-bis(4-hydroxyphenyl) ethane (BBHPE) with terephthaloyl chloride (TPC), isophthaloyl chloride (IPC), and a mixture of TPC/IPC (50: 50 mol ratio). Copolyesters were synthesized by utilizing different molar proportions of BBHPE and 4,4-isopropylidenediphenol (BPA) with IPC and TPC. The inherent viscosities of polyesters were in the range 0.44-1.26 dL/g. All the polyesters were soluble in organic solvents such as dichloromethane, chloroform, tetrahydrofuran, meta-cresol, pyridine, N,N-dimethylformamide, N,N-dimethylacetamide, and 1-methyl-2-pyrrolidmone. Tough, transparent, and flexible films could be cast from chloroform solutions of these polyesters. WAXD measurements indicated that all the polyesters and copolyesters were amorphous in nature. Glass transition temperature of polyesters were in the range 198-256 degrees C, while the initial degradation temperature of polyesters were in the range 444-481 degrees C. Copolyesters derived from BBHPE exhibited improved solubility and higher glass transition temperatures compared to the corresponding polyesters based on BPA. (c) 2007 Wiley Periodicals, Inc.

}, keywords = {Aromatic polyesters, biphenyl side groups}, issn = {0021-8995}, doi = {10.1002/app.25862}, author = {Honkhambe, Pandurang N. and Avadhani, C. V. and Wadgaonkar, Prakash P. and Salunkhe, Manikrao M.} } @article { ISI:000243242700003, title = {Synthesis and characterization of poly(higher-alpha-olefin)s with a nickel(alpha-diimine)/methylaluminoxane catalyst system: effect of chain running on the polymer properties}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {45}, number = {2}, year = {2007}, month = {JAN}, pages = {191-210}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Homopolymerization of octadecene-1 at different reaction conditions has been studied. Significant chain running can be seen at higher polymerization temperatures. Interestingly, insertion of octadecene-1 into a sterically hindered nickel-cation/carbon (secondary) bond is observed. The microstructure of the polymer was established using NMR spectroscopy. The effects of chain running on polymer melting, crystallization behavior, and dynamic mechanical thermal properties were studied using DSC and DMTA. The extent of chain running (i.e., 2 omega-, 1,omega-enchainments) decreases with an increase in the carbon number of alpha-olefins. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {chain running, Crystallization, glass transition, melt transition, nickel (alpha-diimine), NMR, poly(alpha-olefin)s}, issn = {0887-624X}, doi = {10.1002/pola.21783}, author = {Subramanyam, Ummadisetty and Sivaram, Swaminathan} } @article { ISI:000248203200019, title = {Synthesis and evaluation of 1-deoxy-8-epi-castanospermine, 1-deoxy-8-hydroxymethyl castanospermine, and (6S,7S,8R,8aR)-8-amino-octahydroindolizine-6,7-diol}, journal = {Tetrahedron}, volume = {63}, number = {22}, year = {2007}, month = {MAY}, pages = {4756-4761}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short, versatile, and enantioselective synthesis of 1-deoxy-8-epi-castanospermine (5), 1-deoxy-8-hydroxymethyl castanospermine (6), and (6S,7S,8R,8aR)-8-amino-octahydroindolizine-6,7-diol (7) is achieved from a common template 12. The key step utilized is PET provoked amine radical cyclization of 11 to 12 in excellent diastereoselectivity. The exocyclic double bond at C-8 of the template is functionalized to obtain 5-7 as exclusive diastereomers. 1-Deoxy-8-epi-castanospermine exhibited inhibition of alpha- and beta-galactosidase and beta-glucosidase. Compounds 6 and 7 were found to be weak inhibitors of beta-glucosidase. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {1-deoxy-8-epi-castanospermine, castanospermine, Glycosidase inhibitors}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.03.085}, author = {Pandey, Ganesh and Dumbre, Shrinivas G. and Pal, Sujit and Khan, Mohammad Islam and Shabab, A.} } @article { ISI:000245634500005, title = {Synthesis and evaluation of 4/5-hydroxy-2,3-diaryl(substituted)-cyclopent-2-en-1-ones as cis-restricted analogues of combretastatin A-4 as novel anticancer agents}, journal = {Journal of Medicinal Chemistry}, volume = {50}, number = {8}, year = {2007}, month = {APR}, pages = {1744-1753}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new series of 2,3-diaryl-4/5-hydroxy-cyclopent-2-en-1-one analogues replacing the cis double bond of combretastatin A-4 (CA-4) by 4/5-hydroxy cyclopentenone moieties was designed and synthesized. The analogues displayed potent cytotoxic activity (IC50 \< 1 mu g/mL) against a panel of human cancer cell lines and endothelial cells. The most potent analogues 11 and 42 belonging to the 5-hydroxy cyclopentenone class were further evaluated for their mechanism of action. Both of the analogues led to cell cycle arrest at G2/M phase and induced apoptosis in endothelial cells. Antitubulin property of 42 was superior to 11 and comparable to CA-4. The compound 42 had better aqueous solubility, metabolic stability, and pharmacokinetic profile than CA-4 and also demonstrated significant tumor regression in the human colon xenograft model. Our data suggests that cis-restricted analogues of CA-4 are a new class of molecules that have the potential to be developed as novel agents for the treatment of cancer.

}, issn = {0022-2623}, doi = {10.1021/jm060938o}, author = {Gurjar, Mukund K. and Wakharkar, Radhika D. and Singh, Anu T. and Jaggi, Manu and Borate, Hanumant B. and Shinde, Popat D. and Verma, Ritu and Rajendran, Praveen and Dutt, Sarjana and Singh, Gurvinder and Sanna, Vinod K. and Singh, Manoj K. and Srivastava, Sanjay K. and Mahajan, Vishal A. and Jadhav, Vinod H. and Dutta, Kakali and Krishnan, Karthik and Chaudhary, Anika and Agarwal, Shiv K. and Mukherjee, Rama and Burman, Anand C.} } @article { ISI:000250179600010, title = {Synthesis and evaluation of antifungal properties of a series of the novel 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and its analogues}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {15}, number = {21}, year = {2007}, month = {NOV}, pages = {6705-6715}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and various analogues have been synthesized in excellent isolated yields starting from various arylidenemalononitrile and 3-amino-2-cyclohexen-1-one in 1-propanol as solvent at reflux temperature in the absence of any added catalyst. All the synthesized compounds were evaluated for their antifungal activity. The relationship between functional group variation and biological activity of the evaluated compounds is discussed in the article. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Antifungal activity, antiproliferative activity, arylidenemalononitriles, arylquinoline carbonitrile, Michael addition}, issn = {0968-0896}, doi = {10.1016/j.bmc.2007.08.009}, author = {Gholap, Atul R. and Toti, Kiran S. and Shirazi, Fazal and Kumari, Ratna and Bhat, Manoj Kumar and Deshpande, Mukund V. and Srinivasan, Kumar V.} } @article { ISI:000246023000002, title = {Synthesis, characterization, and performance evaluation of polymeric hindered amine light stabilizers (HALS) in EPDM}, journal = {E-Polymers}, year = {2007}, month = {APR}, pages = {Article No. 038}, publisher = {EUROPEAN POLYMER FEDERATION}, type = {Article}, address = {1, QUAI LEZAY-MARNESIA, F067000 STRASBOURG, FRANCE}, abstract = {

Polymeric hindered amine light stabilizer (HALS), wherein the hindered amine functionality was attached to the brominated ethylene-propylene-diene terpolymer (EPDM) was synthesized. The brominated EPDM was synthesized as an intermediate for the synthesis of a new polymeric hindered amine light stabilizer. The grafting and functionalization reactions were characterized by FTIR and (HNMR)-H-1 spectroscopy. The photostabilizing efficiency of this polymeric HALS was studied and compared with conventional HALS under accelerated weathering conditions. The results of the study give evidence for superiority of polymeric HALS over that of melt blended conventional HALS.

}, keywords = {EPDM, Photostabilization, polymeric HALS}, issn = {1618-7229}, author = {Rana, Sravendra and Singh, Raj Pal} } @article {43063, title = {Synthesis of 2-[4-(10H-Substituted Phenothiazine-3-yl)-6-Pyrimidin-2-Phenylthiol/ol/amine/thiol] Pyrroles}, journal = {E-Journal of Chemistry}, volume = {4}, year = {2007}, month = {JAN}, type = {Article}, abstract = {

2-[4-Hydroxy benz-1(propene-1-one)]Pyrrole II on treatment with phenyl thiourea, guanidine carbonate, urea and thiourea in alcoholic KOH yielded compounds III, IV, V, VI which on treatment with different aryl anilines gave compounds VII, VIII, IX, X which under goes cyclisation with sulphur and iodine to give 2-[4-(10H-substituted phenothiazine-3-yl)-6-pyrimidin-2-phenylthiol/-ol/-amine/-thiol] pyrrole XI(a-j), XII(a-j), XIII(a-j) and XIV(a-j) respectively. The structural products were characterized by elemental analysis and spectral data.

}, doi = {10.1155/2007/572543}, author = {Narule, Meghasham and Meshram, Jyotsna S. and Santhakumari, B. and Shanware, A.} } @article { ISI:000252218700032, title = {Synthesis of an indole containing KDR kinase inhibitor by tandem Sonogashira coupling-5-endo-dig-cyclization as a key step}, journal = {Tetrahedron}, volume = {63}, number = {51}, year = {2007}, month = {DEC}, pages = {12786-12790}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of the potent KDR kinase inhibitor 3-[5-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-1H-indol-2-yl]quin oline-2-(1H)-one using a Sonogashira coupling-5-eiido-dig-cyclization strategy is described. (c) 2007 Elsevier Ltd. All rights reserved.

}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.09.075}, author = {Palimkar, Sanjay S. and More, Vijaykumar S. and Kumar, P. Harish and Srinivasan, Kumar V.} } @article { ISI:000252176200024, title = {Synthesis of aromatic poly(amide-imide)s from novel diimide-diacid (DIDA) containing sulphone and bulky pendant groups by direct polycondensation with various diamines}, journal = {European Polymer Journal}, volume = {43}, number = {12}, year = {2007}, month = {DEC}, pages = {5047-5054}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A novel diimide-diacid (DIDA) monomer, 4-{4-[(4-methyl phenyl) sulphonyl]}-1,3-bis-trimellitoimido benzene containing sulphone and bulky pendant groups was successfully synthesized and used to synthesize a series of wholly aromatic poly(amide-imide)s (PAIs) by direct polycondensation method. The direct polycondensation of newly synthesized DIDA with different diamines was carried Out via Yamazaki{\textquoteright}s phosphorylation method using triphenyl phosphite and pyridine system. The resulting poly(amide-imide)s were obtained in quantitative yields with inherent viscosities 0.36-0.47 dl/g in DMAc at 30 +/- 0.1 degrees C. The poly(amide-imide)s were amorphous and were readily soluble in various solvents such as N-methyl-2-pyrrolidinone (NMP), NN-dimethylacetamide (DMAc), N,N-dimethylformamide (DMF), dimethylsulfoxide (DMSO), and pyridine. Tough and flexible films were obtained by casting their DMAc solution. According to thermogravimetric analysis, the polymers were fairly stable up to temperature around 396 degrees C, and 10\% weight losses in the temperature range of 476-511 degrees C that showed good thermal stabilities of these polymers. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {direct polycondensation, poly(amide-imide)s, sulphone and bulky pendant groups, thermally stable polymers}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2007.08.016}, author = {Patil, Prashant S. and Pal, Ravindra R. and Salunkhe, Manikrao M. and Maldar, Noormahamad N. and Wadgaonkar, Prakash P.} } @article { ISI:000244798300032, title = {Synthesis of hydrothermally stable aluminium-containing ethane-silica hybrid mesoporous materials using different aluminium sources}, journal = {Microporous and Mesoporous Materials}, volume = {100}, number = {1-3}, year = {2007}, month = {MAR}, pages = {250-258}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Aluminium-containing ethane-silica hybrid mesoporous materials having ethane groups in the frame wall positions are synthesized using aluminium isopropoxide as well as aluminium nitrate as the aluminium sources. The materials were characterized in detail using powder XRD, N-2 adsorption-desorption, SEM, TEM, TG-DTG, TPD, Si-29, C-13 and Al-27 MAS NMR techniques. Characterization techniques revealed that aluminium isopropoxide was the appropriate source for the synthesis of organo aluminosilicas on considering the structural ordering, acidity as well as the percentage of aluminium incorporation into the ethane bridge. Al-27 MAS NMR displays aluminium as tetrahedrally coordinated in both the aluminium-containing organosilicas. Unlike the conventional EtOH-HCl template extraction process, in the present studies, we had used EtOH-NH4OH as the surfactant-extracting medium and chemical analysis results suggest that using this procedure the extent of dealumination can be greatly reduced. XRD and nitrogen physisorption studies further proved that the materials are hydrothermally stable, that the ordered pore channels retains its structure even after 150 h reflux in boiling water, while the conventional Al-MCM-41 catalyst collapsed its mesostructure after 50 h reflux in water. The improved hydrothermal stability of the hybrid materials, even in presence of sodium ions, is attributed to the thick pore walls as well as due to the presence of hydrophobic bridging ethane groups in the wall positions. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {Al-HMM, Al-MCM-4l, hybrid materials, Hydrothermal stability}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2006.11.010}, author = {Shylesh, S. and Samuel, Prinson P. and Singh, A. P.} } @article { ISI:000248175000038, title = {Synthesis of La0.7Sr0.3MnO3 at 800 degrees C using citrate gel method}, journal = {Ceramics International}, volume = {33}, number = {6}, year = {2007}, month = {AUG}, pages = {1129-1132}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Manganite systems have been of considerable interest in the recent past due to their potential to operate in wide property range and also to serve as effective magnetic sensing and storing devices when synthesized using stringent conditions. We report a novel citrate gel method, in which La0.7Sr0.3MnO3 system has been synthesized at temperature 800 degrees C (LSMO800) with the synthesis duration is 6 h. The results have been compared with the sample synthesized at 1050 degrees C (LSMO1050). The synthesized bulk polycrystalline sample shows single-phase nature with the increase in particle size from similar to 50 nm to 300 nm with the increase in the sintering temperature. The magnetization data for LSMO800 shows well-defined hysteresis with saturation magnetization at around 1800 Oe and Curie temperature at 360 K, which is slightly lower than that of LSMO1050, which is 375 K. The results can be well attributed to the grain boundary effects. (C) 2006 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {Ceramics, Citrate gel method, CMR, Oxides}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2006.02.008}, author = {Ravi, V. and Kulkarni, S. D. and Samuel, V. and Kale, Sangeeta N. and Mona, J. and Rajgopal, R. and Daundkar, A. and Lahoti, P. S. and Joshi, Rakesh S.} } @article { ISI:000243013800061, title = {Synthesis of poly(aniline-co-o-toluidine) coatings and their corrosion-protection performance on low-carbon steel}, journal = {Journal of Applied Polymer Science}, volume = {103}, number = {3}, year = {2007}, month = {FEB}, pages = {1868-1878}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Strongly adherent poly(aniline-co-o-toluidine) coatings were synthesized on low-carbon-steel substrates by the electrochemical copolymerization of aniline with o-toluidine with sodium tartrate as the supporting electrolyte. These coatings were characterized with cyclic voltammetry, ultraviolet-visible absorption spectroscopy, Fourier transform infrared spectroscopy, nuclear magnetic resonance spectroscopy, and scanning electron microscopy. The formation of the copolymer with the mixture of monomers in the aqueous sodium tartrate solution was ascertained by a critical comparison of the results obtained from the polymerizations of the individual monomers, aniline and o-toluidine. The optical absorption spectrum of the copolymer was drastically different from the spectra of the respective homopolymers, polyaniline and poly(o-toluidine). The extent of the corrosion protection offered by poly(aniline-co-o-toluidine) coatings to low-carbon steel was investigated in aqueous 3\% NaCl solutions by open-circuit-potential measurements and a potentiodynamic polarization technique. The results of the potentiodynamic polarization measurements showed that the poly(aniline-co-o-toluidine) coatings provided more effective corrosion protection to low-carbon steel than the respective homo-polymers. The corrosion rate depended on the feed ratio of o-toluidine used for the synthesis of the copolymer coatings. (c) 2006 Wiley Periodicals, Inc.

}, keywords = {Coatings, conducting polymers, copolymerization, synthesis}, issn = {0021-8995}, doi = {10.1002/app.25346}, author = {Pawar, Pritee and Sainkar, S. R. and Patil, P. P.} } @article {12}, title = {Synthesis, structure, and reactivity of diazoketiminato complexes of platinum(II) and palladium(II): cytotoxic properties of a platinum complex}, journal = {European Journal of Inorganic Chemistry}, volume = {7}, number = {27}, year = {2007}, note = {19th International Symposium on Chemical Reaction Engineering (ISCRE 19), Pottsdam, GERMANY, SEP, 2006}, month = {SEP}, pages = {4272-4281}, publisher = {BASF; Bayer AG; Cargill bvba; Clariant Produkte GmbH; Degussa AG; Schering AG; Siemens AG; SOLVAY GmbH; UHDE GmbH; UHDE Inventa Fischer GbbH}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{Reaction of the 2-(arylazo)anilines Ar-N = N-C6H4NH2 [

}, keywords = {CFD, hydro processing, scale-down, scale-up, trickle bed}, issn = {1528-7483}, doi = {10.1021/cg070194v}, author = {Pratihar, Jahar Lal and Shee, Biswaranjan and Pattanayak, Poulami and Patra, Debprasad and Bhattacharyya, Arindam and Puranik, Vedavati G. and Hung, C. H. and Chattopadhyay, Surajit} } @article { ISI:000250647000072, title = {Template-assisted synthesis of ruthenium oxide nanoneedles: electrical and electrochemical properties}, journal = {Journal of Physical Chemistry C}, volume = {111}, number = {44}, year = {2007}, month = {NOV}, pages = {16593-16600}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We here demonstrate the formation of bundles of RuO2 nanoneedles (ca. 100 nm diameter) by a templateassisted electrodeposition from aqueous RuCl3 solution under potentiostatic conditions at room temperature. Cyclic voltammetric measurements in 0.5 M H2SO4 show significantly higher redox-related charging behavior for the RuO2 nanoneedles compared to that of the commercial sample, which is also supported by the electrochemical impedance data. A comparison of the specific capacitance reveals a higher value for nanoneedles (3 F/g instead of 0.4 F/g for the bulk), which has been explained on the basis of enhanced reactivity. More interestingly, electrical transport measurements reveal a transition from metallic to semiconducting behavior especially at low-temperature caused by an impurity scattering mechanism. We anticipate that the present simple route for the fabrication of RuO2 nanostructures will be useful to exploit their potentials in various fields such as electrocatalysis, nanoelectronics, and more importantly for designing supercapacitors.

}, issn = {1932-7447}, doi = {10.1021/jp0744836}, author = {Subhramannia, Mahima and Balan, Beena K. and Sathe, Bhaskar R. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article {Manoj, title = {Tethered Pd-complex on solid support: catalyst for acid-free carbonylation reactions}, journal = {Catalysis Communictions}, volume = {8}, number = {9}, year = {2007}, month = {SEP}, pages = {1386-1392}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{Palladium complex [

}, keywords = {decomposition, direct H2O2 synthesis, halides, Promoter}, issn = {1566-7367}, doi = {10.1016/j.catcom.2006.11.035}, author = {Sarkar, Bibbas R. and Mukhopadhyay, Kausik and Chaudhari, Raghunath V.} } @article { ISI:000248795100038, title = {Titania nanoparticles synthesis in mesoporous molecular sieve MCM-41}, journal = {Journal of Colloid and Interface Science}, volume = {314}, number = {1}, year = {2007}, month = {OCT}, pages = {310-316}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Nanocrystalline titanium oxide (TiO2) is one of the most useful oxide material, because of its widespread applications in photocatalysis, solar energy conversion, sensors and optoelectronics. The control of particle size and monodispersity of TiO2 nanoparticles is a challenging task. The use of MCM-41, an inorganic template of uniform pore size (2-10 nm), can overcome this difficulty and produce stable nanoparticles of uniform size and shape. Here, we demonstrate the synthesis of titania nanoparticles inside the pores of silica based MCM-41 forming a TiO2/Si-MCM composite. Composites are formed in the alcoholic medium by incipient wetness impregnation method. Titania particles of average 3 nm size are obtained. Effect of silica and titania precursors on the quality of nanoparticles has been investigated. The characterization of titania-MCM-41 composites has been carried out using a variety of techniques like UV-vis absorption spectroscopy, X-ray diffraction, FT-IR spectroscopy, X-ray photoelectron spectroscopy, transmission electron microscopy and photoluminescence spectroscopy. It has been found that the titania particles are co-ordinated with Si-MCM by Si-O-Ti covalent bond. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {incipient wetness impregnation, Mesoporous material, template, titania}, issn = {0021-9797}, doi = {10.1016/j.jcis.2007.05.069}, author = {Lihitkar, N. B. and Abyaneh, Majid Kazemian and Samuel, V. and Pasricha, R. and Gosavi, S. W. and Kulkarni, S. K.} } @article { ISI:000243703200018, title = {Total synthesis of pachastrissamine (jaspine B) enantiomers from D-glucose}, journal = {Tetrahedron Letters}, volume = {48}, number = {2}, year = {2007}, month = {JAN}, pages = {265-268}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Synthesis of both enantiomers of pachastrissamine is described from a common chiral template. The stereoselective construction of the central tetrahydrofuran units was based on the pseudodesymmetrization of a pentodialdo-1,4-furanose derivative taking advantage of the latent symmetry present. (c) 2006 Published by Elsevier Ltd.

}, keywords = {4-furanose, chiron approach, Ohira-Bestmann reaction, pachastrissamine/jaspine B, pentodialdo-1, ring isomerization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2006.11.048}, author = {Ramana, C. V. and Giri, Awadut G. and Suryawanshi, Sharad B. and Gonnade, Rajesh G.} } @article { ISI:000249949800021, title = {Transesterification of alpha-haloesters and beta-ketoesters over Mg-Al-hydrotalcites (HT)-like anionic clays}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {276}, number = {1-2}, year = {2007}, month = {OCT}, pages = {158-161}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Transesterification of alpha-haloesters was achieved by reaction of alcohols in the presence of Mg-Al-HT-like anionic clays. beta-Ketoesters were also transesterified under similar conditions on reaction with alcohols with a wide variety of functional groups. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {alpha-haloesters, beta-ketoesters, heterogeneous catalyst, Hydrotalcites, transesterification}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.07.006}, author = {Bulbule, Vivek J. and Borate, Hanumant B. and Munot, Yogesh S. and Deshpande, Vishnu H. and Sawargave, Sangmeshwer P. and Gaikwad, Abaji G.} } @article { ISI:000245519000057, title = {Tryptophan residue is identified in the substrate binding of penicillin G acylase from Kluyvera citrophila}, journal = {Enzyme and Microbial Technology}, volume = {40}, number = {5}, year = {2007}, month = {APR}, pages = {1389-1397}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Penicillin acylases are important enzymes in pharmaceutical industry for the production of semi-synthetic beta-lactam antibiotics via the key intermediate 6-aminopenicillanic acid. The penicillin G acylase purified from Kluyvera citrophila (KcPGA) on modification with tryptophan-specific reagents such as N-bromo succinamide (NBS) and 2-hydroxy 5-nitrobenzylbromide (HNBB) showed partial loss of activity and substrate protection. Various solute quenchers and substrate were used to probe the microenvironment of the putative reactive tryptophan through fluorescence quenching. Homology modeling of KcPGA structure has been carried out. Docking substrate on this modeled KcPGA structure identifies the tryptophan residue that is directly influenced by substrate binding. To confirm the biological significance of this particular tryptophan, we did a sequence comparison of PGAs from various organisms. The sequence alignment clustered the matches into two sets, those closer to (\> 40\% identical) KcPGA and had the tryptophan of interest present in them formed the first set, while those less identical (\< 30\%) to KcPGA and the particular tryptophan absent in them formed the second set. It is clear from the reported kinetic parameters of representative members of these two sets that the affinity for penicillin G (penG) of the former class is several times better. Thus, based on our studies we suggest that the tryptophan residue in the identified position is important for binding substrate penG by the acylases. (c) 2006 Elsevier Inc. All rights reserved.

}, keywords = {fluorescence measurement, K. citrophila, Penicillin G acylase, sequence alignment, substrate-docking, tryptophan modification}, issn = {0141-0229}, doi = {10.1016/j.enzmictec.2006.10.022}, author = {Kumar, R. Suresh and Prabhune, Asmita and Pundle, A. V. and Karthikeyan, Muthukumarasamy and Suresh, C. G.} } @article { ISI:000244183400015, title = {Tungstophosphoric acid supported over zirconia in mesoporous channels of MCM-41 as catalyst in veratrole acetylation}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {262}, number = {1-2}, year = {2007}, month = {FEB}, pages = {98-108}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Tungstophosphoric acid (TPA) over zirconia dispersed uniformly in mesoporous silica (MS) channels of MCM-41 and MCM-48 were synthesized and tested for their catalytic activity in veratrole acetylation. Catalysts with different TPA loadings (5-50 wt.\%) on 22.4 wt.\%ZrO2/MCM-41 and 15 wt.\%TPA on different zirconia loadings (10-70 wt.\%)/MCM-41 were prepared and calcined at 1123 K. The physico-chemical characterization of the supported catalysts was done by powder X-ray diffraction (XRD), surface area measurement (BET), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transformed-infrared (FT-IR) spectroscopy, UV-vis diffuse reflectance spectra, Temperature programmed desorption (TPD) of ammonia, FT-IR pyridine adsorption and (31) P cross polarization-magic angle spinning (CP-MAS) NMR spectroscopy. The mesoporous silica supports play an important role in stabilizing catalytically active TPA along with tetragonal phase of zirconia. Among the catalysts, 15 wt.\%TPA/22.4 wt.\%ZrO2/MCM-41 calcined at 1123 K was found to have highest acidity and at least four times more active than neat 15 wt.\%TPA/ZrO2 in veratrole acetylation to acetoveratrone by acetic anhydride. Reaction conditions were evaluated with 15 wt.\%TPA/22.4 wt:\%ZrO2/MCM-41 calcined at 1123 K to get higher conversion of acetic anhydride to acetoveratrone. The reaction was found to be heterogeneously catalyzed and no contribution from homogeneous (leached) TPA into the medium under the reaction conditions. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {acetoveratrone, acetylation, MCM-41, TPA/ZrO2, veratrole}, issn = {1381-1169}, doi = {10.1016/j.molcata.2006.08.027}, author = {Sawant, Dhanashri P. and Vinu, A. and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000244470700016, title = {Two new eudesmanolides from sphaeranthus indicus (Linn)}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {46}, number = {2}, year = {2007}, month = {FEB}, pages = {379-381}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Two new eudesmanolides have been isolated from the aerial part of Sphaeranthus indicus and their structures have been established as 11 alpha,13-dihydro-3 alpha,7 alpha-dihydroxyeudesm-4-en 6 alpha, 12-olide 1, 4-en-6 beta,7 alpha-eudesmanolide 3, on the basis of spectral data and comparison of spectral data with those of reported data of compounds 2, 4 and 5.

}, keywords = {eudesmanolides, olide, Sphaeranthus indicus}, issn = {0376-4699}, author = {Jadhav, Ravindra B. and Sonawane, Kiran B. and Deshpande, Nirmala R. and Rojatkar, Supada R.} } @article { ISI:000248609900029, title = {Use of poly(o-toluidine)/ZrO2 nanocomposite coatings for the corrosion protection of mild steel}, journal = {Journal of Applied Polymer Science}, volume = {106}, number = {1}, year = {2007}, month = {OCT}, pages = {220-229}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

This study explored the possibility of using poly(o-toluidine) (POT)/ZrO2 nanocomposite coatings for the corrosion protection of mild steel in a chloride environment. POT/ZrO2 nanocomposite coatings were synthesized on steel substrates through an electrochemical route. These coatings were characterized with cyclic voltammetry, ultraviolet-visible absorption spectroscopy, Fourier transform infrared spectroscopy, scanning electron microscopy, and X-ray photoelectron spectroscopy. The performance of POT/ZrO2 nanocomposites as protective coatings against the corrosion of mild steel in aqueous 3 wt \% NaCl was evaluated with the potentiodynamic polarization technique and electrochemical impedance spectroscopy. The results of this study demonstrate that POT/ZrO2 nanocomposite coatings provide better protection for mild steel against corrosion than pure POT coatings. The corrosion potential was about 0.312 V versus a saturated calomel electrode, more positive in aqueous 3 wt \% NaCl for the nanocomposite-coated steel than the uncoated steel, and the corrosion rate of steel was reduced by a factor of almost 51. (c) 2007 Wiley Periodicals, Inc.

}, keywords = {Coatings, conjugated polymers, FTIR, Nanocomposites, synthesis}, issn = {0021-8995}, doi = {10.1002/app.26469}, author = {Chaudhari, Sudeshna and Patil, P. P. and Mandale, A. B. and Patil, K. R. and Sainkar, S. R.} } @article { ISI:000245736400045, title = {Zirconia enrichment in zircon sand by selective fungus-mediated bioleaching of silica}, journal = {Langmuir}, volume = {23}, number = {9}, year = {2007}, month = {APR}, pages = {4993-4998}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

One of the important routes for the production of zirconia is by chemical treatment and removal of silica from zircon sand (ZrSixOy). We present here a completely green chemistry approach toward enrichment of zirconia in zircon sand; this is based on the reaction of the fungus Fusarium oxysporum with zircon sand by a process of selective extracellular bioleaching of silica nanoparticles. Since this reaction does not result in zirconia being simultaneously leached out from the sand, there is a consequent enrichment of the zirconia component in zircon sand. We believe that fungal enzymes specifically hydrolyze the silicates present in the sand to form silicic acid, which on condensation by certain other fungal enzymes results in room-temperature synthesis of silica nanoparticles. This fungus-mediated twofold approach might have vast commercial implications in low-cost, ecofriendly, room-temperature syntheses of technologically important oxide nanomaterials from potentially cheap naturally available raw materials like zircon sand.

}, issn = {0743-7463}, doi = {10.1021/la062535x}, author = {Bansal, Vipul and Syed, Asad and Bhargava, Suresh Kumar and Ahmad, Absar and Sastry, Murali} } @article { ISI:000253061900009, title = {[2+2+2]-cyclotrimerization approach for the synthesis of enantiopure isochromans using a carbohydrate derived dialkyne template}, journal = {Tetrahedron Letters}, volume = {49}, number = {3}, year = {2008}, month = {JAN}, pages = {445-448}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An easy access to enantiopure isochromans through cross alkyne trimerization of a glucose derived dialkyne was developed. One of the synthesized isochromans was converted into a novel tricyclic nucleoside by simple transformations. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {isochroman, tricyclic nucleoside, Vorbruggen reaction, Wilkinson{\textquoteright}s catalyst, [2+2+2]-Cyclotrimerization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2007.11.103}, author = {Ramana, C. V. and Suryawanshi, Sharad B.} } @article { ISI:000260978000002, title = {Active sites in vanadia/titania catalysts for selective aerial oxidation of beta-picoline to nicotinic acid}, journal = {Journal of Catalysis}, volume = {259}, number = {2}, year = {2008}, month = {OCT}, pages = {165-173}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Vanadia/titania catalysts with varying vanadium content were prepared by impregnation using three different titania carrier materials of varying surface area, The structure of active vanadium species for beta-picoline oxidation was investigated. Vanadium is mainly in the +5 oxidation state as revealed by electron paramagnetic resonance (EPR) and V-51 magic-angle spinning nuclear magnetic resonance (V-51 MAS NMR) spectroscopy techniques. Diffuse reflectance UV-visible (DRUV-vis) spectroscopy and spectral deconvolution enabled identification of at least five different types of vanadium oxide species in these catalysts: monomeric tetrahedral VO43-, polymeric distorted tetrahedral VO3-, square pyramidal V2O5, octahedral V2O62- and V4+ oxide species. While both VO43- and VO3- species are active in beta-picoline oxidation, the latter having a distorted tetrahedral geometry yielded the desired products-picolinaldehyde and nicotinic acid. High surface area, anatase structure for the support and dispersed, distorted tetrahedral vanadium oxide species are the key parameters determining the activity and selectivity of these oxidation catalysts. (C) 2008 Elsevier Inc. All rights reserved.

}, keywords = {Active vanadium species, Nicotinic acid, Oxidation of beta-picoline, Selective aerial oxidation, Spectroscopic investigations, Vanadia/titania}, issn = {0021-9517}, doi = {10.1016/j.jcat.2008.07.019}, author = {Srinivas, Darbha and Hoelderich, Wolfgang F. and Kujath, Steffen and Valkenberg, Michael H. and Raja, Thirumalaiswamy and Saikia, Lakshi and Hinze, Ramona and Ramaswamy, Veda} } @article { ISI:000259509600003, title = {Albumin competitively inhibits glycation of less abundant proteins}, journal = {Protein and Peptide Letters}, volume = {15}, number = {7}, year = {2008}, month = {JUL}, pages = {663-667}, publisher = {BENTHAM SCIENCE PUBL LTD}, type = {Article}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Glycation, a non-enzymatic reaction between glucose and protein is the primary cause of diabetic complications. Albumin, the most abundant plasma protein undergoes glycation both in vivo and in vitro. The influence of albumin on glycation of less abundant proteins has not been addressed. For the first time, we show that albumin competitively inhibits the glycation of less abundant proteins. This study suggests that at least in the initial stages of diabetes, albumin may protect other proteins from glycation.

}, keywords = {Diabetes, glucose, insulin, MALDI-TOF-MS, vascular complication}, issn = {0929-8665}, doi = {10.2174/092986608785133690}, author = {Bhonsle, Hemangi S. and Singh, Sameer Kumar and Srivastava, Ghanshyam and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000256583100002, title = {Analysis of reactive oxygen species and antioxidant defenses in complex I deficient patients revealed a specific increase in superoxide dismutase activity}, journal = {Free Radical Research}, volume = {42}, number = {5}, year = {2008}, month = {MAY}, pages = {415-427}, publisher = {INFORMA HEALTHCARE}, type = {Article}, address = {TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND}, abstract = {

The mechanism of free radical production by complex I deficiency is ill-defined, although it is of significant contemporary interest. This study studied the ROS production and antioxidant defenses in children with mitochondrial NADH dehydrogenase deficiency. ROS production has remained significantly elevated in patients compared to controls. The expression of all antioxidant enzymes significantly increased at mRNA level. However, the enzyme activities did not correlate with high mRNA or protein expression. Only the activity of superoxide dismutase (SOD) was found to correlate with higher mRNA expression in patient derived cell lines. The activities of the enzymes such as glutathione peroxidase (GPx), Catalase (CAT) and glutathione-S-transferase (GST) were significantly reduced in patients (p \< 0.05 or p \< 0.01). Glutathione reductase (GR) activity and intracellular glutathione (GSH) levels were not changed. Decreased enzyme activities could be due to post-translational or oxidative modification of ROS scavenging enzymes. The information on the status of ROS and marking the alteration of ROS scavenging enzymes in peripheral lymphocytes or lymphoblast cell lines will provide a better way to design antioxidant therapies for such disorders.

}, keywords = {antioxidant enzymes, mitochondrial complex I, mitochondrial myopathies, Reactive Oxygen Species (ROS)}, issn = {1071-5762}, doi = {10.1080/10715760802068571}, author = {Wani, Aijaz A. and Rangrez, Ashraf Y. and Kumar, Himanshu and Bapat, Sharmila A. and Suresh, C. G. and Barnabas, Shama and Patole, Milind S. and Shouche, Yogesh} } @article { ISI:000258784000005, title = {Antibacterial activity of synthesized 2,4,5-trisubstituted imidazole derivatives}, journal = {Chemical Biology \& Drug Design}, volume = {72}, number = {3}, year = {2008}, month = {SEP}, pages = {197-204}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Some novel chemically synthesized 2,4,5-trisubstituted imidazoles from aryl aldehydes and 1,2-diketones or alpha-hydroxyketone were screened against eight different human pathogenic bacteria and fungi. Seven compounds were found to be active against different bacteria. These compounds showed variation in activity and were found to be active against Gram-positive as well as Gram-negative bacteria. Compound 4-(4,5-diphenyl-1H-imidazol-2-yl)-phenol, 3d was the only compound which showed activity against Klebsiella pneumoniae while rest of the compounds did not show significant activity against this micro-organism. Minimum inhibitory concentrations of the compounds were in the range of 0.50 to 6.1 mu g/mL and minimum bactericidal concentration ranges from 1.11 to 12.9 mu g/mL. The candidature of active compounds to be an effective and novel drug was examined based on Lipinski{\textquoteright}s rule of Five which explained ClogP, LogS, H-bond acceptors, H-Bond donors and rotational bonds. Compounds 3a-d and 3f satisfies Lipinski{\textquoteright}s rule of Five and could be proposed as potent new antibacterial drugs.

}, keywords = {1, 2, 2-Diketones, 4, 5-trisubstituted imidazoles, alpha-hydroxyketone, antibacterial activity, aryl aldehydes}, issn = {1747-0277}, doi = {10.1111/j.1747-0285.2008.00691.x}, author = {Khan, Mohd Sajid and Siddiqui, Shafi Ahmad and Siddiqui, Mohammad Shaik Rafi Ahmad and Goswami, Usha and Srinivasan, Kumar Venkatraman and Khan, Mohammad Islam} } @article { ISI:000255318800037, title = {Asymmetric synthesis of (S)-vigabatrin (R) and (S)-dihydrokavain via cobalt catalyzed hydrolytic kinetic resolution of epoxides}, journal = {Tetrahedron Letters}, volume = {49}, number = {16}, year = {2008}, month = {APR}, pages = {2646-2648}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A concise route to the asymmetric synthesis of (S)-vigabatrin(R) and (S)-dihydrokavain has been described using Co-catalyzed hydrolytic kinetic resolution of racemic epoxides and regiospecific opening of terminal epoxides with dimethylsulfonium methylide as the key steps. (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.02.064}, author = {Raj, I. Victor Paul and Sudalai, A.} } @article { ISI:000252860400082, title = {Au-ZnO: a tunable localized surface plasmonic nanocomposite}, journal = {Applied Physics Letters}, volume = {92}, number = {4}, year = {2008}, month = {JAN}, pages = {043107}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

In this letter, we report the thermal processing controlled tunability of localized surface plasmon resonance (LSPR) of Au nanoparticles embedded in ZnO matrix. Au-ZnO nanocomposite films were prepared by atom beam cosputtering and were annealed from 200 to 600 degrees C in Ar. A regular redshift similar to 110 nm (from 505 to 615 nm) in LSPR peak with increase in annealing temperature up to 600 degrees C is observed. Transmission electron microscopy results confirm the formation of Au nanoparticles supported by ZnO nanorods at annealing temperature of 600 degrees C. The Au-ZnO nanocomposite exhibits significant enhancement in the Raman signal for C(70) molecules. (C) 2008 American Institute of Physics.

}, issn = {0003-6951}, doi = {10.1063/1.2838302}, author = {Mishra, Y. K. and Mohapatra, S. and Singhal, R. and Avasthi, D. K. and Agarwal, Dinesh C. and Ogale, S. B.} } @article { ISI:000257271600057, title = {Bacterial synthesis of copper/copper oxide nanoparticles}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {6}, year = {2008}, month = {JUN}, pages = {3191-3196}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

A bacterial mediated synthesis of copper/copper oxide nanoparticle composite is reported. A Gram-negative bacterium belonging to the genus Serratia was isolated from the midgut of Stibara sp., an insect of the Cerambycidae family of beetles found in the Northwestern Ghats of India. This is a unique bacterium that is quite specific for the synthesis of copper oxide nanoparticles as several other strains isolated from the same insect and common Indian mosquitoes did not result in nanoparticle formation. By following the reaction systematically, we could delineate that the nanoparticle formation occurs intracellularly. However, the process results in the killing of bacterial cells. Subsequently the nanoparticles leak out as the cell wall disintegrates. The nanoparticles formed are thoroughly characterized by UV-Vis, TEM, XRD, XPS and FTIR studies.

}, keywords = {bacterial synthesis, Nanoparticles, TEM, XPS, XRD}, issn = {1533-4880}, doi = {10.1166/jnn.2008.095}, author = {Hasan, Syed Saif and Singh, Sanjay and Parikh, Rasesh Y. and Dharne, Mahesh S. and Patole, Milind S. and Bhagavatula L. V. Prasad and Shouche, Yogesh S.} } @article { ISI:000256073500012, title = {Bacterial synthesis of silicon/silica nanocomposites}, journal = {Journal of Materials Chemistry}, volume = {18}, number = {22}, year = {2008}, month = {APR}, pages = {2601-2606}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The synthesis of silicon/silica nanoparticle composites by the bacterium Actinobacter sp. is demonstrated. More specifically, the formation of silicon/silica nanocomposite is shown to occur when the bacterium is exposed to K(2)SiF(6) precursor under ambient conditions. Based on the earlier reports where this bacterium has been shown to synthesize iron oxide and iron sulfide nanoparticles, it is hypothesized that this bacterium secretes reductases and oxidising enzymes, which lead to the Si/SiO(2) nanocomposite synthesis. The particles obtained by bacterial synthesis were thoroughly characterized. The cytotoxicity studies revealed that the particles do not display any cytotoxicity to human skin cells. The synthesis of silica nanoparticles by bacteria in the present study demonstrates the versatility of the organism, and the formation of elemental silicon by this environmentally friendly process expands further the scope of microorganism based nanomaterial synthesis.

}, issn = {0959-9428}, doi = {10.1039/b719528a}, author = {Singh, Sanjay and Bhatta, Umananda M. and Satyam, P. V. and Dhawan, Alok and Sastry, Murali and Bhagavatula L. V. Prasad} } @article { ISI:000256232900024, title = {Bacteria-mediated precursor-dependent biosynthesis of superparamagnetic iron oxide and iron sulfide nanoparticles}, journal = {Langmuir}, volume = {24}, number = {11}, year = {2008}, month = {JUN}, pages = {5787-5794}, publisher = {AMER CHEMICAL SOC}, type = {Article}, chapter = { }, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The bacterium Actinobacter sp. has been shown to be capable of extracellularly synthesizing iron based magnetic nanoparticles, namely maghemite (gamma-Fe2O3) and greigite (Fe3S4) Under ambient conditions depending on the nature of precursors used. More precisely, the bacterium synthesized maghemite when reacted with ferric chloride and iron sulfide when exposed to the aqueous solution of ferric chloride-ferrous sulfate. Challenging the bacterium with different metal ions resulted in induction of different proteins, which bring about the specific biochemical transformations in each case leading to the observed products. Maghemite and iron sulfide nanoparticles show superparamagnetic characteristics as expected. Compared to the earlier reports of magnetite and greigite synthesis by magnetotactic bacteria and iron reducing bacteria, which take place strictly under anaerobic conditions, the present procedure offers significant advancement since the reaction occurs under aerobic condition. Moreover, reaction end products can be tuned by the choice of precursors used.

}, issn = {0743-7463}, doi = {10.1021/la704019p}, author = {Bharde, Atul A. and Parikh, Rasesh Y. and Baidakova, Marina and Jouen, Samuel and Hannoyer, Beatrice and Enoki, Toshiaki and Bhagavatula L. V. Prasad and Shouche, Yogesh S. and Ogale, Satishchandra B. and Sastry, Murali} } @article { ISI:000257626900005, title = {Bactericidal activity of 2-nitroimidazole against the active replicating stage of mycobacterium bovis BCG and mycobacterium tuberculosis with intracellular efficacy in THP-1 macrophages}, journal = {International Journal of Antimicrobial Agents}, volume = {32}, number = {1}, year = {2008}, month = {JUL}, pages = {40-45}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This study evaluated the antituberculous potential of 2-nitroimidazole under in vitro conditions. Minimal bactericidal concentrations of the compound against actively replicating Mycobacterium bovis BCG and Mycobacterium tuberculosis H37Ra were found to be 0.226 mu g/mL and 0.556 mu g/mL in enriched and minimal medium, respectively. Minimal inhibitory concentrations were \> 100 times lower than reported antituberculous nitroimidazoles such as nitrofurantoin and furaltadone, indicating the greater potential of 2-nitroimidazole. No discernible effect of 2-nitroimidazole was seen on saprophytic Mycobacterium smegmatis and the representative bacterial strain Escherichia coli DH5 alpha, indicating the specificity of the molecule against tuberculous mycobacteria. The compound was also found to be effective against M. tuberculosis in the intracellular environment of the human monocytic cell line THP-1, with a reduction in viability of bacilli by 2.5 log after 144 h of incubation at a concentration of 0.113 mu g/mL. A five-fold higher concentration (0.565 mu g/mL) of 2-nitroimidazole sterilised the macrophages of intracellular pathogens within 192 h, without affecting the host. However, 2-nitroimidazole was unable to affect significantly the viability of dormant non-replicating bacilli of M. bovis BCG and M. tuberculosis in Wayne{\textquoteright}s in vitro model. Overall, the results indicate that 2-nitroimidazole is a potent antituberculous agent active against the organism{\textquoteright}s active replicating stage, with promising intracellular efficacy as well. (c) 2008 Elsevier B.V. and the International Society of Chemotherapy. All rights reserved.

}, keywords = {2-nitroimidazole, antimycobacterial agents, nitroimidazoles, THP-1 macrophage, tuberculosis}, issn = {0924-8579}, doi = {10.1016/j.ijantimicag.2008.02.022}, author = {Khan, Arshad and Sarkar, Sampa and Sarkar, Dhiman} } @article { ISI:000259888700043, title = {Biocomposites of cellulose reinforced starch: improvement of properties by photo-induced crosslinking}, journal = {Bioresource Technology}, volume = {99}, number = {18}, year = {2008}, month = {DEC}, pages = {8803-8809}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

In the present study, the composite films have been prepared from the aqueous dispersions of starch with microcrystalline cellulose using glycerol as plasticizer and irradiated under ultraviolet (UV) light using sodium benzoate as photo-sensitizer. Photocrosslinking was characterized by measuring the water absorption under 100\% relative humidity, swelling degree and gel fraction in dimethylsulphoxide (DMSC), upon irradiation time. Both, the incorporation of cellulose and photo-irradiation were found to decrease the water absorption, swelling in DMSO and increase the gel fraction. Thermal transitions indicated the anti-plasticization of amylopectin chains at the fiber/matrix interface. With increasing content of cellulose and photo-irradiation time, the tensile modulus and strength were found to improve. It is summarized that the combination of cellulose reinforcement and photo-crosslinking of matrix has improved the physical and mechanical properties. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Biocomposites, cellulose, Photo-irradiation and crosslinking, Starch}, issn = {0960-8524}, doi = {10.1016/j.biortech.2008.04.045}, author = {Kumar, Annamalai Pratheep and Singh, Raj Pal} } @article { ISI:000252529400004, title = {Bridging the gap between micropores and mesopores by the controlled transformation of bifunctional periodic mesoporous silicas}, journal = {Microporous and Mesoporous Materials}, volume = {108}, number = {1-3}, year = {2008}, month = {FEB}, pages = {29-40}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Novel bifunctional periodic mesoporous silicas having high content of organic groups in the pore channels and chromium in the frame wall has been synthesized by direct co-condensation method, using organo trialkoxysilanes (chloro propyl, vinyl, methyl), chromium nitrate and tetraethyl orthosilicate, in presence of cetyltrimethyl ammonium surfactants. The obtained materials show one main peak in the XRD patterns up to a molar ratio of 1: 1 between TEOS and organosilane in the synthesis gel and N-2 adsorption-desorption analysis shows that the mesopore structure remains intact after the surfactant removal process. Among the organosilanes, chloro propyl and vinyl pendant chromium samples shows a shift in the main peak to higher 2-theta values with a corresponding decrease in pore volume and pore diameter, with the percentage of organosilane functionalization. Small-pore silicas and chromium silicas can be prepared from the large pore mesoporous MCM-41, by effectively removing the organic groups by calcination. By this method, the pore size of the material can be tailored into the super-microporous region, without changing the chain length of the surfactant used in the assembly process. The shrinkage in pore size is dependent on the nature and percentage of the organic pendant groups that the chloro propyl and vinyl pendant mesoporous materials show the maximum pore size shrinkage than the small chain length methyl units. Because of the tailorable pore size and with better textural characteristics, chromium-silica materials find applications in the field of shape selective heterogeneous catalysis, as demonstrated in the oxidation reaction of cyclohexane, than the conventional metal-containing mesoporous materials. (c) 2007 Elsevier Inc. All rights reserved.

}, keywords = {bifunctional silicas, chromium, Cyclohexane, MCM-41, Oxidation}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.03.039}, author = {Shylesh, S. and Srilakshini, Ch. and Singh, A. P. and Anderson, B. G.} } @article { ISI:000258059800003, title = {Capsaicin: preclinical and clinical studies}, journal = {Plant Archives}, volume = {8}, number = {1}, year = {2008}, month = {APR}, pages = {7-11}, publisher = {R S YADAV}, type = {Article}, address = {606-2 S CIVIL LINES, MUZAFFARNAGAR, 251 001, INDIA}, abstract = {

Drugs obtained from plant sources occupy important position in different pharmacopoeias. Many of the life saving drugs in the present day allopathic system are obtained from plant origin only. Extensive scientific research on capsaicin, a natural compound, pungent principle, present in the fruits of plant Capsicum anum, has been performed. In preclinical studies capsaicin shows lipid lowering by stimulating its metabolism, gastroprotection against aspirin and ethanol induced ulcers. Capsaicin in rodents shows anticancer activity against NKK induced lung and liver cancer. It also exhibits antidiabetic, antimicrobial, anti-inflammatory and antioxidant properties in rodents. In clinical studies Capsaicin shows gastroprotection in healthy volunteers. In double blind studies capsaicin proved to be useful in skin disorders against prutitic psoriasis and prurigo nodularis with randomized double blind studies. It also exhibits good analgesic activity against post-therapeutic neuralgia, osteo-arthritis, rheumatoid arthritis and diabetic neuropathy. Capsaicin is fairly safe with oral dose 0.5-1.0 mg/kg.

}, keywords = {capsaicin, Capsicum anum, clinical studies, preclinical}, issn = {0972-5210}, author = {Qureshi, Absar A. and Qureshi, Azfar A. and Omer, Shaista and Sanghai, Dhirendra B. and Setty, S. R. and Bhajipale, N. S.} } @article { ISI:000260756600004, title = {Carbohydrate templates for the synthesis of prototype renin inhibitors}, journal = {Tetrahedron-Asymmetry}, volume = {19}, number = {18}, year = {2008}, month = {SEP}, pages = {2123-2129}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A concise synthesis of a prototype renin inhibitor and its 7-epimer has been accomplished starting from readily available D-glucose. (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2008.08.007}, author = {Mohapatra, Debendra K. and Sahoo, Gokarneswar and Sankar, Kuppusamy and Gurjar, Mukund K.} } @article { ISI:000255698500035, title = {Carbohydrate-based approach for the total synthesis of aculeatin D and 6-epi-aculeatin D}, journal = {Journal of Organic Chemistry}, volume = {73}, number = {10}, year = {2008}, month = {MAY}, pages = {3915-3918}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A concise approach for the total synthesis of aculeatin D and 6-epi-aculeatin D employing differentially protected anti,anti-1,3,5-triol alkyne prepared from alpha-D-glucoheptonic-gamma-lactone derivative is documented. Phenol protecting group manipulation for selective O-debenzylation during the hydrogenation of the diyne intermediate and one-pot phenolic oxidation with concomitant spiroketalization highlight the accomplished total synthesis.

}, issn = {0022-3263}, doi = {10.1021/jo800026n}, author = {Ramana, C. V. and Srinivas, Burgula} } @article { ISI:000256179700013, title = {Catalyst-free efficient synthesis of 2-aminothiazoles in water at ambient temperature}, journal = {Tetrahedron}, volume = {64}, number = {22}, year = {2008}, month = {MAY}, pages = {5019-5022}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A highly efficient and facile method has been described for the synthesis of substituted 2-aminothiazoles in water without any added catalyst or co-organic solvent. The reaction was carried out at ambient temperature and the products were obtained in excellent isolated yields. The developed protocol is successfully applied for the preparation of an anti-inflammatory drug, fanetizole. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {2-aminothiazoles, ambient temperature, environment-friendly synthesis, Water}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.03.082}, author = {Potewar, Taterao M. and Ingale, Sachin A. and Srinivasan, Kumar V.} } @article { ISI:000256929600004, title = {Cationic polymerization of epoxides using novel xanthenyl phosphonium salts as thermo-latent initiator}, journal = {Polymer Bulletin}, volume = {60}, number = {6}, year = {2008}, month = {JUN}, pages = {755-763}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The present article describes the effect of steric and electronic factors on the efficiency of initiators based on novel xanthenyl phosphonium salts for cationic polymerization of epoxide monomers. 2-substituted (I(H), I(Cl), I(Me), and I(OMe)) xanthenyl phosphonium hexafluoroantimonate were synthesized and characterized by NMR ((1)H, (13)C and (31)P) and IR spectroscopy. The order of initiator activity in polymerization of glycidyl phenyl ether (GPE), was found as I(H)\> I(Cl)\> I(Me)\> I(OMe). To understand the effect of steric factor, the polymerization of cyclohexene oxide (CHO) was performed and the order of activity was found as I(Cl)\> I(H)\> I(Me) \> I(OMe). All the initiators were found to be latent at ambient temperature and initiates polymerization on thermal initiation. The order of initiator activity was influenced by electronic and steric factors in the system. The thermal stability of these salts was measured by Thermo gravimetric analysis (TGA). The solubility of the initiators in various organic solvents and epoxy monomers is also discussed.

}, issn = {0170-0839}, doi = {10.1007/s00289-008-0910-1}, author = {Gupta, Mukesh Kumar and Singh, Raj Pal} } @article { ISI:000262796500004, title = {Characterization of MoSe2 thin film deposited at room temperature from solution phase}, journal = {Journal of Crystal Growth}, volume = {311}, number = {1}, year = {2008}, month = {DEC}, pages = {15-19}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple, low-temperature method has been developed to synthesis molybdenum diselenide semiconductor thin films, based on the chemical reaction of conlplexed ammonium molybdate, hydrazine hydrate and sodium Selenosulphate in aqueous alkaline medium. The deposition parameter of the MoSe2 thin film is interpreted in the present investigation. The films were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), optical absorption and electrical measurements. The deposited film was found to be polycrystalline in hexagonal form. The direct band gap {\textquoteleft}E-g{\textquoteright} for the film was found to be 1.43eV and electrical conductivity in the order of 10(-2)(Omega cm)(-1) with n-type conduction mechanism. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Crystal morphology, Growth from solution, Inorganic compound, Polycrystalline deposition, Semiconducting materials, X-ray diffraction}, issn = {0022-0248}, doi = {10.1016/j.jcrysgro.2008.09.188}, author = {Hankare, P. P. and Patil, A. A. and Chate, P. A. and Garadkar, K. M. and Sathe, D. J. and Manikshete, A. H. and Mulla, Imtiaz S.} } @article { ISI:000258819000009, title = {Characterization of smallest active monomeric penicillin V acylase from new source: a yeast, rhodotorula aurantiaca (NCIM 3425)}, journal = {Process Biochemistry}, volume = {43}, number = {9}, year = {2008}, month = {SEP}, pages = {961-967}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

An intracellular monomeric penicillin V acylase (PVA) of 36,000 Da exhibiting pI of 4.19, purified from newly identified yeast source, Rhodotorula aurantiaca (NCIM 3425). The enzyme was purified by hydrophobic interaction chromatography. The enzyme showed optimal activity at 45 degrees C and retained 80\% activity after incubation at 45 degrees C and pH 5.5 for I h. The enzyme showed maximum activity at pH 5.5 and was very stable between pH 5.5-6.5 with optimum stability at pH 6.0. It exhibited 50\% of its original activity after 30 min incubation at 60 degrees C. Enzyme hydrolyzed substrates with benzyl side chain but preferred penicillin V as primary substrate. N-terminally located serine supports the fact that it belongs to Ntn (N-terminal nucleophile)-hydrolase superfamily. The initial ten amino acid residues of R. aurantiaca PVA were identical to the initial sequence of NADH dehydrogenase (EC 1.6.99.3): however the enzyme lacks dehydrogenase activity. EGTA, EDTA, hexane and ethyl acetate stabilized the activity where as small chain alcohols inhibited it. 1,4-Dioxane, THF (tetrahydrofurane), phenol and benzyl alcohol severely inhibited enzyme activity while BME and DTT increased it. Tween 80 and Tween 20 highly enhanced the activity where as SIDS and Triton X-100 inhibited it. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Intracellular enzyme, N-terminal sequencing, Penicillin V acylase, Purification, Rhodotorula aurantiaca, Substrate specificity}, issn = {1359-5113}, doi = {10.1016/j.procbio.2008.04.024}, author = {Kumar, Atul and Prabhune, Asmita and Suresh, C. G. and Pundle, Archana} } @article { ISI:000255189100003, title = {Chemoselective synthesis of beta-amino acid derivatives by hydroamination of activated olefins using AISBA-15 catalyst prepared by post-synthetic treatment}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {284}, number = {1-2}, year = {2008}, month = {APR}, pages = {16-23}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

beta-Amino acid derivatives have a wide variety of applications viz. in the synthesis of peptide analogues, precursor for amino alcohols, optically active amino acids, lactums and diamines. Chemoselective anti-Markovnikov hydroamination reaction of activated olefins was effectively used to synthesize beta-amino acid derivatives using AlSBA-15 and AlMCM-41 catalysts. These catalysts with different Si/Al ratios were synthesized by isomorphous substitution of aluminium into the framework of SBA-15, which induces the Bronsted and Lewis acid sites. The structural integrity of the catalysts was established by characterizing with XRD, N-2-sorption, TEM, NH3-TPD Al-27 MAS NMR and Si-29 MAS NMR techniques. Hydroamination of ethyl acrylate with aniline was used as a test reaction, which gave N-[2-(ethoxycarbonyl)ethyl] aniline with high selectivity. The performance of AlSBA-15 catalyst was also determined with different acrylates and amines to know the general applicability of the catalyst in hydroamination reactions. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {acrylate, activated olefin, addition, AlMCM-41, AlSBA-15, Amine, beta-amino acid, Catalyst, hydroamination, Mesoporous}, issn = {1381-1169}, doi = {10.1016/j.molcata.2007.12.025}, author = {Shanbhag, Ganapati V. and Kumbar, S. M. and Halligudi, Shivaraj B.} } @article { ISI:000258274200014, title = {Chiral Mn(III) salen complex immobilized onto ionic liquid modified mesoporous silica for oxidative kinetic resolution of secondary alcohols}, journal = {Tetrahedron Letters}, volume = {49}, number = {33}, year = {2008}, month = {AUG}, pages = {4865-4868}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A supported ionic liquid strategy has been applied for the immobilization of a chiral Mn(III) salen complex onto ionic liquid modified mesoporous silica SBA-15. The immobilized catalyst demonstrated high enantioselectivity and activity in the oxidative kinetic resolution of secondary alcohols, and could be recycled five times without obvious loss of activity. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Mesoporous silica SBA-15, Mn(III) salen, Oxidative kinetic resolution, Secondary alcohol, Supported ionic liquid}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.06.014}, author = {Sahoo, Suman and Kumar, Pradeep and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000256378800020, title = {Co-catalyzed mild and chemoselective reduction of phenyl esters with NaBH(4): a practical synthesis of (R)-tolterodine}, journal = {Tetrahedron Letters}, volume = {49}, number = {23}, year = {2008}, month = {JUN}, pages = {3790-3793}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

CoCl(2) catalyzes effectively the chemoselective reduction of phenyl carboxylic esters to the corresponding saturated alcohols in high yields using NaBH(4) at ambient conditions. By employing this methodology, the synthesis of (R)-tolterodine, a muscarinic receptor antagonist, has been achieved in high yield and optical purity. (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.04.007}, author = {Jagdale, Arun R. and Sudalai, Arumugam} } @conference { ISI:000271775103415, title = {COLL 41-studies in biosurfactants: sophorolipids}, booktitle = { 235th American-Chemical-Society National Meeting}, volume = {235}, year = {2008}, note = {235th American-Chemical-Society National Meeting, New Orleans, LA, APR 06-10, 2008}, month = {APR}, pages = {Meeting Abstract : 41 - Coll}, publisher = {American Chemical Society}, organization = {American Chemical Society}, type = {Meeting Abstract}, address = {1155 16th ST, NW, Washington, DC 20036 USA}, keywords = {Biosurfactants, Candida bombicola ATCC 22214, Fermentation Process, sophorolipids}, issn = {0065-7727}, author = {Momin, Shamim A. and Prabhune, Asmita and Sonchal, Bhushan P. and Shah, Sachin and Kothekar, Shrinivas C.} } @article { ISI:000253511900004, title = {Comparative study of structural, acidic and hydrophilic properties of Sn-BEA with Ti-BEA using periodic density functional theory}, journal = {Journal of Physical Chemistry B}, volume = {112}, number = {9}, year = {2008}, month = {MAR}, pages = {2573-2579}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Periodic density functional theory has been employed to characterize the differences in the structural, Lewis acidic and hydrophilic properties of Sn-BEA and Ti-BEA. We show that the incorporation of Sri increases the Lewis acidity of BEA compared to the incorporation of Ti. Hence, the present work gives insight into the role of Sn in increasing the efficiency of the oxidation reactions. The results also justify that the percentage of Sri substituted in BEA is less than Ti. The structural analysis shows that the first coordination shell of Sri is larger than that of Ti. However, the second coordination of both sites remains the same. The water adsorption properties of these substituted zeolites are quantified. Moreover, we explain the higher Lewis acidity of Sn than the Ti site on the basis of the Fukui functions and charge population analysis.

}, issn = {1520-6106}, doi = {10.1021/jp709846s}, author = {Shetty, Sharan and Kulkarni, Bhakti S. and Kanhere, Dilip G. and Goursot, Annick and Pal, Sourav} } @article { ISI:000254480500087, title = {Comparative study of the shape-dependent electrocatalytic activity of platinum multipods, discs, and hexagons: applications for fuel cells}, journal = {Langmuir}, volume = {24}, number = {7}, year = {2008}, month = {APR}, pages = {3576-3583}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We here demonstrate a remarkable potential-dependent morphological evolution of platinum mesostructures in the form of multipods, discs, and hexagons using a porous anodic alumina membrane (PAAM). These structures prepared potentiostatically at -0.7, -0.5 and -0.3 V, respectively, reveal unique shape-dependent electrocatalytic activity toward both formic acid and ethanol oxidation reactions. A comparison of the electrooxidation kinetics of these structures illustrates that hexagons show better performance toward formic acid oxidation whereas, for ethanol oxidation, multipods show significantly enhanced activity. Interestingly, the enhancement factor (R) for these mesostructures with respect to that of commercial platinized carbon toward formic acid oxidation ranges up to 2000\% for hexagons whereas for multipods and disc they are about 700\% and 300\%, respectively. Similarly, for ethanol oxidation, the calculated value of R varies up to 600\% for multipods while for disc and hexagons these values are 500\% and 200\%, respectively. These shape-dependent electrocatalytic activity of Pt mesostructures have been further correlated with XRD results. Thus, the present results demonstrate the importance of precise control of morphology by an electric field and their potential benefits especially for fuel cell applications since designing a better electrocatalyst for many fuel cell reactions continues to be an important challenge.

}, issn = {0743-7463}, doi = {10.1021/la702983z}, author = {Subhramannia, Mahima and Ramalyan, Kannan and Pillal, Vijayamohanan K.} } @article { ISI:000259622100005, title = {Comparison of Metarhizium isolates for biocontrol of helicoverpa armigera (Lepidoptera : Noctuidae) in chickpea}, journal = {Biocontrol Science and Technology}, volume = {18}, number = {8}, year = {2008}, month = {FEB}, pages = {809-828}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Metarhizium isolates from soil (53) and insect hosts (10) were evaluated for extracellular production of cuticle degrading enzyme (CDE) activities such as chitinase, chitin deacetylase (CDA), chitosanase, protease and lipase. Regression analysis demonstrated the relation of CDE activities with Helicoverpa armigera mortality. On basis of this relation, ten isolates were selected for further evaluation. Subsequently, based on LT(50) of the 10 isolates towards H. armigera, five isolates were selected. Out of these five isolates, three were selected on the basis of higher conidia production (60-75 g/kg rice), faster sedimentation time (ST(50)) (2.3-2.65 h in 0.1\% (w/v) Tween 80) and lower LC(50) (1.4- 5.7 x 10(3) conidia/mL) against H. armigera. Finally, three Metarhizium isolates were selected for the molecular fingerprinting using ITS sequencing and RAPD patterning. All three isolates, M34412, M34311 and M81123, showed comparable RAPD patterns with a 935G primer. These were further evaluated for their field performance against H. armigera in a chickpea crop. The percent efficacies with the three Metarhizium isolates were from 65 to 72\%, which was comparable to the chemical insecticide, endosulfan (74\%).

}, keywords = {appressorium formation, chitin deacetylase, chitinase, chitosanase, Helicoverpa armigera, Lipase, Metarhizium anisopliae, Protease}, issn = {0958-3157}, doi = {10.1080/09583150802366475}, author = {Kulkarni, Shuklangi A. and Ghormade, Vandana and Kulkarni, Girish and Kapoor, Manisha and Chavan, Santosh B. and Rajendran, Armugam and Patil, Sanjay K. and Shouche, Yogesh and Deshpande, Mukund V.} } @article { ISI:000259146100007, title = {Conformational preferences of hypermodified nucleoside lysidine (k(2)C) occurring at wobble position in anticodon loop of tRNA(IIe)}, journal = {Nucleosides Nucleotides \& Nucleic Acids}, volume = {27}, number = {10-11}, year = {2008}, month = {JUN}, pages = {1158-1174}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Conformational preferences of hypermodified nucleoside, 4-amino-2-(N(6)-lysino)-1-(beta-D-ribofuranosyl) pyrimidinium (Lysidine or 2-lysyl cytidine), usually designated as k(2)C, have been investigated theoretically by the quantum chemical perturbative configuration interaction with localized orbitals (PCILO) method. The zwitterionic, non-zwitterionic, neutral, and tautomeric forms have been studied. Automated geometry optimization using molecular mechanics force field (MMFF), semi-empirical quantum chemical PM3, and ab initio molecular orbital Hartree-Fock SCF quantum mechanical calculations have also been made to compare the salient features. The predicted most stable conformations of zwitterionic, non-zwitterionic, neutral, and tautomeric form are such that in each of these molecules the orientation of lysidine moiety (R) is trans to the N(1) of cytidine. The preferred base orientation is anti (chi = 3 degrees) and the lysine substituent folds back toward the ribose ring. This results in hydrogen bonding between the carboxyl oxygen O(12a) of lysine moiety and the 2{\textquoteright}-hydroxyl group of ribose sugar. In all these four forms of lysidine O(12a)...H-C(9) and O(12b)...H-N(11) interactions provide stability to respective stable conformers. Watson-Crick base pairing of lysidine with A is feasible only with the tautomeric form of usual anti oriented lysidine. This can help in recognition of AUA codon besides in avoiding misrecognition of AUG.

}, keywords = {hypermodified, k(2)C, lysidine, stable conformers}, issn = {1525-7770}, doi = {10.1080/15257770802341475}, author = {Sonawane, Kailas D. and Tewari, Ravindra} } @article { ISI:000259161600016, title = {Convenient access to 1, 3,4-trisubstituted pyrazoles carrying 5-nitrothiophene moiety via 1,3-dipolar cycloaddition of sydnones with acetylenic ketones and their antimicrobial evaluation}, journal = {European Journal of Medicinal Chemistry}, volume = {43}, number = {8}, year = {2008}, month = {AUG}, pages = {1715-1720}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, type = {Article}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Novel 1-aryl-3-(5-nitro-2-thienyl)-4-aroyl-pyrazoles 7 have been synthesized by the 1,3-dipolar cycloaddition of 3-arylsydnones 3 with 1-aryl-3-(5-nitro-2-thienyl)-2-propyn- 1-ones 6. The newly synthesized compounds were well characterized by elemental analysis, IR, (1)H NMR and mass spectral studies. They were also screened for their antibacterial and antifungal activities against a variety of microorganisms and the results of such studies have been discussed in this article. (c) 2007 Elsevier Masson SAS. All fights reserved.

}, keywords = {1, 3-dipolar cycloaddition, 5-nitrothiophene, acetylenic ketone, Antibacterial, antifungal, Pyrazole, sydnone}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2007.08.002}, author = {Rai, N. Satheesha and Kalluraya, Balakrishna and Lingappa, B. and Shenoy, Shaliny and Puranik, Vedavati G.} } @article { ISI:000254698300035, title = {Co-precipitation method for preparation of Bi3TiNbO9 powders}, journal = {Ceramics International}, volume = {34}, number = {3}, year = {2008}, month = {APR}, pages = {675-677}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A simple co-precipitation technique has been successfully used for the preparation of pure, ultrafine, single phase Bi3TiNbO9 (BTN). An aqueous ammonium hydroxide solution was used to simultaneously precipitate Bi3+, Ti4+ and Nb5+, cations as hydroxides under basic conditions (pH similar to 9). No pyrochlore phase was found while heating powder at 500 degrees C and pure BTN phase was found to be formed by X-ray diffraction (XRD). For comparison, BTN samples were also synthesized by the traditional solid state method. The sequence of phase formation in both cases were investigated by XRD studies. (c) 2007 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {Ceramics, Chemical synthesis, electronic material, Oxides, XRD}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2007.02.002}, author = {Gupta, U. N. and Samuel, V. and Muthurajan, H. and Kumar, H. H. and Patil, S. D. and Ravi, V.} } @article { ISI:000257538200034, title = {Co-precipitation technique to prepare BiNbO4 powders}, journal = {Ceramics International}, volume = {34}, number = {6}, year = {2008}, month = {AUG}, pages = {1565-1567}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A simple co-precipitation technique was successfully used for the preparation of pure ultrafine single phase BiNbO4. A standard ammonium hydroxide solution was used to precipitate Bi3+ and Ta5+ cations as hydroxides simultaneously under basic conditions. For comparison, BN powders were also prepared by the traditional solid-state method. It is observed that the co-precipitation technique produces BiNbO4 on heating at 600 degrees C, whereas complete phase formation occurs only at 800 degrees C in the solid-state method. The phase contents and lattice parameters were Studied by powder X-ray diffraction (XRD). (C) 2007 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {BiNbO4, Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2007.03.022}, author = {Radha, R. and Gupta, U. N. and Samuel, V. and Muthurajan, H. and Kumar, H. H. and Ravi, V.} } @article { ISI:000253642200008, title = {Crystal-to-crystal transformation amongst dimorphs of racemic 2,6-di-O-(p-halobenzoyl)-myo-inositol 1,3,5-orthoformates that achieves halogen bonding contacts}, journal = {CrystEngComm}, volume = {10}, number = {3}, year = {2008}, month = {FEB}, pages = {288-296}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{Racemic 2,6-di-O-(p-halobenzoyl)-myo-inositol 1,3,5-orthoformates (bromo (1) and chloro (2)) produced two polymorphs each, thin needle type crystals (Form I) were obtained from methanol, whereas larger rectangular crystals (Form II) were produced from ethyl acetate. Both forms could be produced concomitantly on crystallization (of 1 or 2) from ethyl acetate-light petroleum ether mixture; the yield of Form II crystal was always much more compared to Form I crystals. Although, a one-dimensional isostucturality linking molecules via O-H center dot center dot center dot O hydrogen bonding is seen in both forms, the difference arises in linking these chains. In larger Form II crystals (of 1 and 2), the adhesions are via halogen bonding (C-X center dot center dot center dot O=C

}, issn = {1466-8033}, doi = {10.1039/b712528c}, author = {Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000257838400007, title = {Cu(OTf)(2) catalyzed Biginelli type condensation of aldehydes, beta-keto esters and carbamates: synthesis of 3,4-dihydro[1,3]oxazin-2-ones}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {47}, number = {7}, year = {2008}, month = {JUL}, pages = {1091-1095}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, type = {Article}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Cu(OTf)(2) catalyzes effectively a new multicomponent reaction comprising aldehydes, beta-ketoester and methy carbamate in acetonitrile to afford substituted 3,4-dihydro[1,3]oxazin-2-ones in 60-82\% yields. These compounds have been found to show inhibition activity against HL-60 cancer cell.

}, keywords = {aldehydes, Catalysts, Copper, Multicomponent reaction}, issn = {0376-4699}, author = {Jagdale, Arun R. and Paraskar, Abhimanyu S. and Sudalai, Arumugam} } @article { ISI:000252815300072, title = {Development of nanofibrous morphology in LDPE/LLDPE/PP blends and its effect on mechanical properties of blend films}, journal = {Journal of Applied Polymer Science}, volume = {107}, number = {6}, year = {2008}, month = {MAR}, pages = {4005-4012}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Nanofibrous morphology has been observed in ternary blends of low density polyethylene (LDPE), linear low density polyethylene (LLDPE), and isotactic polypropylene (PP) when these were melt-extruded via slit die followed by hot stretching. The morphology was dependent on the concentration of the component polymers in ternary blend LDPE/LLDPE/PP. The films were characterized by wide angle X-ray diffraction (XRD), scanning electron microscopy (SEM), and testing of mechanical properties. The XRD patterns reveal that the P phase of PP is obtained in the as-stretched nanofibrillar composites, whose concentration decreases with the increase of LLDPE concentration. The presence of PP nanofibrils shows significant nucleation ability for crystallization of LDPE/LLDPE blend. The SEM observations of etched samples show an isotropic blend of LDPE and LLDPE reinforced with more or less randomly distributed and well-defined nanofibrils of PP, which were generated in situ. The tensile modulus and strength of LDPE/LLDPE/PP blends were significantly enhanced in the machine direction than in the transverse direction with increasing LLDPE concentration. The ultimate elongation increased with increasing LLDPE concentration, and there was a critical LLDPE concentration above which it increased considerably. There was a dramatic increase in the falling dart impact strength for films obtained by blow extrusion of these blends. These impressive mechanical properties of extruded samples can be explained on the basis of the formation of PP nanofibrils with high aspect ratio (at least 10), which imparted reinforcement to the LDPE/LLDPE blend. (C) 2007 Wiley Periodicals, Inc.

}, keywords = {linear low density polyethylene, low density polyethylene, mechanical properties, melt-extruded films, nanofibrous morphology, polypropylene, ternary blends}, issn = {0021-8995}, doi = {10.1002/app.27630}, author = {Sonawane, Pradip S. and Radhakrishnan, S. and Bhangale, J. A. and Gadhavi, A. L. and Khare, Anagha} } @article { ISI:000260290900014, title = {Diastereoselective addition of planar N-heterocycles to vinyl sulfone-modified carbohydrates: a new route to isonucleosides}, journal = {Tetrahedron}, volume = {64}, number = {45}, year = {2008}, month = {NOV}, pages = {10406-10416}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Michael-type addition reactions of planar N-heterocycles at the C-2 positions of vinyl sulfone-modified carbohydrates provide an efficient and general route for the carbon-N-heterocycle bond formation. Therefore, the addition pattern of planar heterocycles, such as imidazole, triazole, thymine, and adenine to 3-C-phenyisulfonyl-hex-2-enopyranosides (1 alpha/1 beta) and 3-C-p-toluenesulfonyl-pent-2-enofuranosides (2 alpha/2 beta) was studied for developing a general methodology for the synthesis of new classes of isonucleosides possessing a carbon-N-heterocycle linkage at C-2 positions of furanosyl and pyranosyl sugars. To a great extent, the anomeric configurations of the starting vinyl sulfones play crucial roles in deciding the diastereoselectivity of addition of heterocycles. However, the trityl protected 3-C-p-toluenesulfonyl-hex-2-enopyranosides (33 alpha/33 beta) were judged to be More practical starting materials for desulfortylation and deprotection for the synthesis of a new class of thymine and adenine deoxyisonucleosides. (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.08.050}, author = {Sanki, Aditya K. and Bhattacharya, Rahul and Atta, Ananta Kumar and Suresh, Cheravakkattu G. and Pathak, Tanmaya} } @article { ISI:000254794300007, title = {Direct oxidation of H-2 to H2O2 over Pd/CeO2 catalyst under ambient conditions: influence of halide ions}, journal = {Chemical Engineering Journal}, volume = {136}, number = {2-3}, year = {2008}, month = {MAR}, pages = {126-132}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Direct oxidation of H-2 by O-2 to H2O2 and decomposition/hydrogenation of H2O2 have been investigated over Pd/CeO2 catalyst in presence of different halide ions. All reactions were carried out in an aqueous acidic (0.03 M H3PO4) medium at room temperature (25 degrees C) and atmospheric pressure. When different halide ions were added directly to the reaction medium or incorporated in the catalyst, the activity/selectivity of Pd/CeO2 catalyst in the H-2 to H2O2 oxidation changed significantly, depending upon the nature of the halide ions. Different ammonium halides impregnated reduced Pd/CeO2 catalyst calcined under inert (flowing nitrogen) and oxidizing (static/flowing air) gaseous atmospheres revealed that bulk oxidation state of Pd and the nature of the halide ions incorporated into the catalyst cooperatively control the activity/selectivity of catalyst in H-2 to H2O2 oxidation. Both H2O2 decomposition and hydrogenation were found to affect strongly depending upon the nature of the halide ions present in the reaction medium or in the catalyst. Among the different halides, bromide was found the most effective promoter for enhancing the H2O2 yield/selectivity in H-2 to H2O2 oxidation, irrespective of the Pd oxidation state in the catalyst. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Br- ions, H-2 to H2O2 oxidation, H2O2 decomposition, H2O2 hydrogenation, Pd/CeO2 catalyst}, issn = {1385-8947}, doi = {10.1016/j.cej.2007.03.016}, author = {Samanta, Chanchal and Choudhary, Vasant R.} } @article { ISI:000259484700016, title = {Direct shoot organogenesis and plant regeneration from hypocotyl explants in selected genotypes of Leucaena leucocephala - a leguminous pulpwood tree}, journal = {Indian Journal of Biotechnology}, volume = {7}, number = {3}, year = {2008}, month = {JUL}, pages = {388-393}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, type = {Article}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

An efficient in vitro plant regeneration system in subabul (Leucaena leucocephala), a leguminous pulp wood tree species, was established. The induction of shoots was achieved from selected elite clones of subabul K-8, K-636 and also wild type on MS medium supplemented with 2\% sucrose and different concentrations (0.88 to 24.6 mu M) of plant growth regulators (BA, Kn, 2iP \& TDZ). The best medium for shoot regeneration was MS with 22.2 mu M BA (5 shoots per explant), followed by 22.7 mu M TDZ (4.6 shoots per explant). Addition of putriscine (9.3 mu M) to MS medium containing 22.2 mu M BA enhanced the number of multiple shoots to 7-8 but not the frequency of response. Shoot initials (measuring 1 cm) when separated and transferred on to MS medium containing 1.4 mu M GA(3) elongated to 2-5 cm in 15.20 d with 80\% frequency. The per cent frequency of shoot differentiation was almost identical in the genotypes K-8 and K-636 but it differed significantly from the wild type. Leaf yellowing and abscission in all the genotypes was curtailed by supplementing the medium with 685 mu M glutamine or 540 mu M adenine. The excised shoots were transferred to root regeneration media containing 2.46 and 4.98 mu M IBA or 2.6 and 5.3 mu M NAA. Root regeneration was noticed with 100\% frequency in all the three genotypes in presence of IBA or NAA. Plantlets were transferred successfully to the pots with 70\% survival rate with no visible morphological variations. The protocol can be utilized for mass propagation and genetic transformation studies of this important pulpwood species.

}, keywords = {hypocotyl explants, Leucaena lucocephala, pulpwood leguminous tree, shoot organogenesis}, issn = {0972-5849}, author = {Sirisha, V. L. and Prashant, S. and Ranadheer, D. and Ramprasad, P. and Shaik, N. M. and Arha, Manish and Gupta, S. K. and Srivastava, Sarneer and Yadav, A. K. and Kulkarni, P. S. and Othalathara U. Abhilash and Khan, Bashir Mohammad and Rawal, Shuban K. and Kishor, P. B. Kavi} } @article { ISI:000260944500001, title = {Direct synthesis of hydrogen peroxide from hydrogen and oxygen: an overview of recent developments in the process}, journal = {Applied Catalysis A-General}, volume = {350}, number = {2}, year = {2008}, month = {NOV}, pages = {133-149}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Hydrogen peroxide (H(2)O(2)) is an important commodity chemical and its demand is growing significantly in the chemical synthesis due to its {\textquoteleft}{\textquoteleft}green{\textquoteright}{\textquoteright} character. Currently, H(2)O(2) is produced almost exclusively by the anthraquinone auto-oxidation (AO) process. The AO process involves indirect oxidation of hydrogen and thus avoids potentially explosive H(2)/O(2) mixture. However, this large-scale process presents significant safety issues associated with the transport of bulk H(2)O(2). Moreover, the AO process can hardly be considered ail environmentally friendly method. In view of this, more economical and environmentally cleaner routes have been explored for the production of H(2)O(2). The liquid-phase catalytic direct synthesis of H(2)O(2) from H(2) and O(2) offers an attractive green technology for small-scale/onsite production of H(2)O(2). However, the direct synthesis process suffers from two major drawbacks: (i) potential hazards associated with H(2)/O(2) mixtures and (ii) poor selectivity for H(2)O(2) because the catalysts used for H(2)O(2) synthesis are also active for its decomposition and hydrogenation to water as well as for H(2) combustion. These serious issues and the recent developments in the direct H(2)O(2) synthesis are discussed in this review. The roles of protons (H(+)) and halide ions in promoting the H(2)O(2) selectivity are also examined in detail. (C) 2008 Elsevier B.V. All rights reserved

}, keywords = {Bimetallic catalysts, Direct H(2)O(2) synthesis, Microreactor technology, Pd catalysts}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.07.043}, author = {Samanta, Chanchal} } @article { ISI:000256441200268, title = {Di-tert-butyl N,N {\textquoteleft}-(octahydropentalene-2,5-diyl) dicarbamate}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {64}, number = {6}, year = {2008}, month = {JUN}, pages = {O1149-U2804}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

In the molecule of the title compound, C18H32N2O4, the central bicyclo[3.3.0] octane (octahydropentalene) has a rigid ring junction. Both rings of the bicyclo[3.3.0] octane unit adopt an envelope conformation, and the flexible tert-butylcarbamoyl side chains each have an extended conformation. Such a constrained bicyclo[3.3.0] octane aliphatic template is of interest with respect to the design of novel self-assembling motifs. Molecules related by c-glide symmetry are linked via intermolecular N-H center dot center dot center dot O hydrogen bonds, forming a two-dimensional layer structure. Neighboring layers are weakly associated along the a axis due to the close approach of the tert-butylcarbamoyl groups (2.55 angstrom).

}, issn = {1600-5368}, doi = {10.1107/S1600536808014876}, author = {Kendhale, Amol M. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article { ISI:000256081700004, title = {Double metal cyanides as efficient solid acid catalysts for synthesis of beta-amino alcohols under solvent-free conditions}, journal = {Catalysis Letters}, volume = {123}, number = {1-2}, year = {2008}, month = {JUN}, pages = {24-31}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A novel application of Fe-Zn double metal cyanide complexes as solid, acid catalysts for regioselective synthesis of beta-amino alcohols under solvent-free conditions via ring-opening of epoxides with amines is reported for the first time. The conversion of epoxides to beta-amino alcohols is nearly 100\%. In the reaction with styrene oxide, regioselective beta-amino alcohol formation is higher with aromatic than with aliphatic amines. Strong Lewis acidic Zn(2+) ions in the catalyst are probably the active sites in this reaction.

}, keywords = {beta-Amino alcohols, double metal cyanide (DMC), regioselective ring-opening of epoxides, Single crystal x-ray structure, solid Lewis-acid catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-008-9410-z}, author = {Saikia, Lakshi and Satyarthi, J. K. and Gonnade, Rajesh G. and Srinivas, Darbha and Ratnasamy, P.} } @article { ISI:000259273200027, title = {Durability of crosslinked polydimethylsyloxanes: the case of composite insulators}, journal = {Science and Technology of Advanced Materials}, volume = {9}, number = {2}, year = {2008}, note = {International Conference on Magneto-Science, Hiroshima, JAPAN, NOV, 2007}, month = {JUN}, pages = {024406}, publisher = {NATL INST MATERIALS SCIENCE}, type = {Article}, address = {NATL INST MATERIALS SCIENCE, 1-2-1 SENGEN, TSUKUBA-CITY, IBARAKI, 305-0047, JAPAN}, abstract = {

Most applications of silicones are linked to their hydrophobic properties and (or) their high resistance to ageing (e. g. thermal ageing and photoageing). However, when placed in extreme environments, these materials can fail as in the case of epoxy/fiber glass composite powerlines insulators, where crosslinked polymethylsyloxanes (PDMSs) are used as the protective envelope (housing) of the insulator. We report on the behavior of both pure/noncrosslinked PDMSs and typical formulations used in industrial insulators, i.e. containing peroxide crosslinked PDMS, alumina trioxide hydrated (ATH) and silica. Special attention is paid on both (i) the sources of potential degradation and (ii) the best analytical methods that can be applied to the study of very complex formulations. (i) Aside from conventional types of ageing such as photo-ageing and thermal, hydrolytic, and service life ageings, treatments with acidic vapors, plasma and ozone possibly generating species from the reaction of a high electric field with air were also performed, which allowed to accelerate electrical and out-door ageings and to obtain differently aged materials. (ii) Aside from conventional analytical methods of polymer degradation such as FTIR/ATR spectroscopy and SEC, TG, hardness measurements, more specific methods like photo/DSC, TG/IR, thermoporosimetry, resistivity and density measurements were also performed to characterize the chemical and physical evolutions of polymer materials. In particular, it was found that treatment with nitric acid vapor has detrimental effects on the properties of both fire retardants (e. g. ATH) and PDMSs, affecting the hardness and resistivity of the formulated material.

}, keywords = {composite insulators, durability, PDMS, post-crosslinking, silicone}, issn = {1468-6996}, doi = {10.1088/0031-8949/9/2/024406}, author = {Delor-Jestin, Florence and Tomer, Namrata S. and Singh, Raj Pal and Lacoste, Jacques} } @article { ISI:000255305200006, title = {Effect of fuel and its concentration on the nature of Mn in Mn/CeO2 solid solutions prepared by solution combustion synthesis}, journal = {Acta Materialia}, volume = {56}, number = {7}, year = {2008}, month = {APR}, pages = {1461-1472}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Nano and microcrystalline, Mn/CeO2 solid solutions (5 mol.\% Mn) have been prepared by solution combustion synthesis using urea, glycine or polyethylene glycol (PEG) as fuel. The nature of the fuel and its concentration (fuel to metal mole ratio, F/M have a strong influence on the physical and chemical characteristics of the resulting Mn/CeO2 solid solutions. The variations in the physicochemical properties are attributed to differences in (i) the adiabatic/real flame temperature realized with these fuels at different F/M ratios; (ii) the sustenance of the temperature or the quenching effect of the fuel at higher F/M ratios; (iii) combustion or decomposition of the precursors as the main course of the reaction; and (iv) the generation of gaseous products during combustion. Since the addition of the fuel to the initial precursor solution does not change the pH of the medium, the differences in the type of Mn species formed are mainly attributed to the combustion process. (C) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Combustion synthesis, Mn-ceria, Nanocomposites, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS)}, issn = {1359-6454}, doi = {10.1016/j.actamat.2007.11.035}, author = {Murugan, B. and Ramaswamy, A. V. and Srinivas, D. and Gopinath, Chinnakonda S. and Ramaswamy, Veda} } @article { ISI:000260283800018, title = {Effect of hydrodynamic cavitation on zooplankton: a tool for disinfection}, journal = {Biochemical Engineering Journal}, volume = {42}, number = {3}, year = {2008}, month = {DEC}, pages = {320-328}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Application of hydrodynamic cavitation for disinfection of water is gaining momentum, as it provides environmentally and economically sound options. In this effort, the effect of cavitating conditions created by differential pump valve opening and that created by flowing through a cavitating element (orifice plates) on the microbes (zooplankton in sea water) is described. The experimental results are compared with modelling of cavitating conditions that includes cavity dynamics, turbulence generated by individual oscillating cavity, cell wall strength and geometrical and operating parameters of cavitation device. Theoretical model for quantifying the cavitationally generated turbulent shear and extent of microbial disinfection has been developed. Experimental results indicated that cavitation and/or turbulent fluid shear dominantly originating from cavitation are effective tools for sea water disinfection as more than 80\% of the zooplankton present in the sea water were killed. It was also observed that shock waves generated due to cavitation is not the sole cause for zooplankton disruption. A correct physical mechanism accounting fluid turbulence and shear, generated from stable oscillation of cavity, significantly contribute towards the disruption. Further refinement of the model presented will serve as a basis for higher degree of disinfection and provide a practical tool for sea water disinfection. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Cell disruption, heat transfer, Hydrodynamic cavitation, Modelling, Wastewater treatment, Zooplankton}, issn = {1369-703X}, doi = {10.1016/j.bej.2008.08.001}, author = {Sawant, Subhash Shivram and Anil, Arga Chandrashekar and Krishnamurthy, Venkat and Gaonkar, Chetan and Kolwalkar, Janhavi and Khandeparker, Lidita and Desai, Dattesh and Mahulkar, Amit Vinod and Ranade, Vivek Vinayak and Pandit, Aniruddha Balchandra} } @article { ISI:000255689100002, title = {Effect of repeated in vitro sub-culturing on the virulence of metarhizium anisopliae against helicoverpa armigera (Lepidoptera : Noctuidae)}, journal = {Biocontrol Science and Technology}, volume = {18}, number = {4}, year = {2008}, month = {MAY}, pages = {337-355}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The effect of repeated conidial sub-culturing of Metarhizium anisopliae on its virulence against Helicoverpa armigera (Hbner) was studied. The LT(50) observed against third instar larvae of H. armigera for the first sub-culture was 3.4 days; it increased to 4.5 and 5.6 days for the 20th and the 40th sub-cultures, respectively. The LT50 values after passage of the 40th sub-culture on H. armigera decreased to 4.4 and 3.7 days for the 40th (first in vivo) and the 40th (fifth in vivo) passages, respectively. Similarly, the LC(50) of M. anisopliae towards third instar larvae of H. armigera increased from the first sub-culture (0.17x10(4)) to (3.0x10(4)) for the 40th conidial transfers on potato dextrose agar and again decreased to 0.74x10(4) and 0.23x10(4) in the 40th (first in vivo) and the 40th (fifth in vivo) passage, respectively. Similar trends for LC(50) and LT(50) values were seen when sugarcane woolly aphid, Ceratovacuna lanigera Zehntner was used as a host. Significant variation in appressorium formation and cuticle-degrading enzyme production such as chitinase, chitin deacetylase, chitosanase and protease during subsequent sub-culturing and passage through H. armigera was observed. Though there was no effect on internal transcribed spacer (ITS) sequence pattern, interestingly, in randomly amplified polymorphic DNA (RAPD), significant differences in the band intensities and in the banding pattern for different sub-cultures of M. anisopliae were observed. As stable virulence towards the insect pest is desirable for commercialisation of a mycoinsecticide, such changes in virulence due to repeated in vitro transfer need to be monitored and minimised.

}, keywords = {appressorium formation, chitin deacetylase, chitinase, Helicoverpa armigera, in vitro sub-culturing, Lipase, Metarhizium anisopliae, Protease}, issn = {0958-3157}, doi = {10.1080/09583150801935650}, author = {Nahar, Pallavi B. and Kulkarni, Shuklangi A. and Kulye, Mahesh S. and Chavan, Santosh B. and Kulkarni, Girish and Rajendran, Armugham and Yadav, Priya D. and Shouche, Yogesh and Deshpande, Mukund V.} } @article { ISI:000256086600009, title = {Effect of TDZ and 2, 4-D on peanut somatic embryogenesis and in vitro bud development}, journal = {Plant Cell Tissue and Organ Culture}, volume = {94}, number = {1}, year = {2008}, month = {JUL}, pages = {85-90}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Failure of peanut somatic embryos to convert into plantlets is attributed to the abnormal development of the plumule. Thidiazuron (TDZ) was effective in the conversion of peanut somatic embryos to plantlets by triggering morphogenetic activity in the abnormal plumules of the rooted somatic embryos. The present study aimed to induce normal embryo differentiation by culturing the embryogenic masses in embryo development medium containing 2,4-D and various concentrations of TDZ. Although this was not achieved due to restricted somatic embryo development in the presence of TDZ, bud-like projections appeared in the embryogenic masses when these were cultured in media containing combinations of 2,4-D and TDZ. These projections developed into buds, which subsequently formed shoots and plantlets. The response varied with the concentration and exposure of TDZ. At lower concentrations, the buds appeared in a defined row in the equatorial region of the explant, and with extended incubation, more and more buds appeared in rows alongside the initial row. Induction of multiple buds in a defined row in this specific site (equatorial region) suggested the presence of potent cells around this region. At higher concentrations, these projections appeared in large numbers spread over the whole upper part of the embryogenic mass starting from the equatorial region. The ability of embryogenic mass to convert into organogenic mass and to produce large number of organogenic buds provides an excellent system for basic studies and for the genetic transformation of peanut.

}, keywords = {Arachis hypogaea, embyogenic mass, somatic embryogenesis, thidiazuron}, issn = {0167-6857}, doi = {10.1007/s11240-008-9390-0}, author = {Joshi, Madhumita and Sujatha, K. and Hazra, Sulekha} } @article { ISI:000260411100014, title = {Efficient and eco-friendly synthesis of 2-amino-1,3-selenazoles in an ionic liquid/water system under ambient conditions}, journal = {Arkivoc}, number = {12}, year = {2008}, month = {JAN}, pages = {117-125}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

An efficient and eco-friendly synthesis of 2-amino-1,3-selenazoles in ionic liquid/water solvent system is described. The paper describes synthesis of 2-amino-1,3-selenazoles by condensation of various phenacyl bromide with selenourea under ambient conditions in short reaction times. This protocol has notable advantages such as the absence of any added catalyst, simple operation and excellent yields of products and recyclability of the ionic liquid.

}, keywords = {2-Amino-1, 3-selenazoles, ambient conditions, heterocycles, ionic liquid/water system, selenoureas, substituted phenacyl bromide}, issn = {1551-7004}, author = {Potewar, Taterao M. and Ingale, Sachin A. and Srinivasan, Kumar V.} } @article { ISI:000254443900045, title = {Efficient synthesis of 1,8-dioxo-octahydro-xanthene derivatives promoted by a room temperature ionic liquid at ambient conditions under ultrasound irradiation}, journal = {Ultrasonics Sonochemistry}, volume = {15}, number = {4}, year = {2008}, month = {APR}, pages = {548-553}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The condensation reaction involving an aldehyde and diketone was efficiently promoted by the Ionic liquid, [Hbim]BF(4) (IL) as a reaction medium with methanol as co-solvent at ambient temperature under ultrasonic irradiation to afford the corresponding 1,8-dioxo-octahydroxantliene (xanthene) derivatives in excellent yields. The advantages of this method include among others the use of a recyclable, non-volatile ionic liquid, which promotes this protocol under ambient temperature without the requirement of ally added catalyst. The reaction times and yields are compared with p-TSA catalyzed synthesis of xanthenes under thermal conditions, which is also reported for the first time under our reaction conditions. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {aldehydes, ambient conditions, Bronsted acidity, dimedone, Ionic liquid, Ultrasound, Xanthenes}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2007.06.001}, author = {Venkatesan, K. and Pujari, Suresh S. and Lahoti, Rajgopal J. and Srinivasan, K. V.} } @article { ISI:000260290500013, title = {Efficient synthesis of antifungal pyrimidines via palladium catalyzed Suzuki/Sonogashira cross-coupling reaction from Biginelli 3,4-dihydropyrimidin-2(1H)-ones}, journal = {Tetrahedron}, volume = {64}, number = {44}, year = {2008}, month = {OCT}, pages = {10214-10223}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient regioselective approach to the synthesis of tetrasubstituted pyrimidines was developed by sequential functionalization of easily available Biginelli 3,4-dihydropyrimidine-2(1H)-ones via dehydrogenation, chlorination followed by palladium catalyzed C-C Suzuki/Sonogashira coupling reaction. All the synthesized compounds were evaluated in vitro for their antifungal activities against Candida albicans, Cryptococcus neoformans, Benjaminiella poitrasii, Yarrowia lipolytica, and Fusarium oxysporum, and antibacterial activities against Gram-negative Escherichia coli and Gram-positive Staphylococcus aureus. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Antifungal activities, Biginelli compounds, chlorination, Oxidation, Pyrimidines, Suzuki coupling}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.08.033}, author = {Gholap, Atul R. and Toti, Kiran S. and Shirazi, Fazal and Deshpande, Mukund V. and Srinivasan, Kumar V.} } @article { ISI:000260209800002, title = {Efficient synthesis of quinoxalines in the ionic liquid 1-n-butylimidazolium tetrafluoroborate ([Hbim]BF4) at ambient temperature}, journal = {Synthetic Communications}, volume = {38}, number = {21}, year = {2008}, month = {FEB}, pages = {3601-3612}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Quinoxaline derivatives have been synthesized in excellent yields using an ionic liquid (IL) (viz., 1-n-butylimidazolium tetrafluoroborate) as a reaction medium as well as promoter from various 1,2-diketones and aryl-1,2-diamines. The process is general for the synthesis of quinoxaline derivatives from aromatic as well as aliphatic-1,2-diketones. The advantages of the present method are ambient reaction temperature, simplicity of operation, high yields of products, the recyclability of the IL, and ecofriendly nature of the reaction medium.

}, keywords = {1, 2-diamines, 2-Diketones, Aryl-1, ionicliquid(IL), quinoxalines}, issn = {0039-7911}, doi = {10.1080/00397910802054271}, author = {Potewar, Taterao M. and Ingale, Sachin A. and Srinivasan, Kumar V.} } @article { ISI:000257271600056, title = {Electrochemical sensing of sulphur dioxide: a comparison using dodecanethiol and citrate capped gold nanoclusters}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {6}, year = {2008}, month = {JUN}, pages = {3184-3190}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

A comparison of cyclic voltammograms of dodecanethiol (DDT) capped Au nanoclusters (5.0 +/- 0.5 nm) and trisodium citrate (Cit) capped Au nanoclusters (similar to 10-15 nm) modified glassy carbon electrode shows a dramatic variation in the current when exposed to a small amount of sulphur dioxide. This is explained using the electrocatalytic properties of Au nanoclusters towards the oxidation of SO2, thus facilitating the fabrication of electrochemical sensors for the detection of SO2. The intrinsic redox changes observed for gold nanocluster-modified glassy carbon electrodes disappear on passing SO2, despite a dramatic current increase, which indeed scales up with the amount of dissolved SO2. Interestingly, a complete rejuvenation of the redox behavior of gold is also observed on subsequent removal of SO2 from the solution by passing pure nitrogen for 15 minutes. Further, these nanoclusters when characterized with X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) after SO2 passage reveal a variety of SO2 adsorption modes on gold surface. XP spectra also show a shift of 1.03 eV towards higher binding energy indicating a strong adsorption of SO2 gas, while FTIR gives conclusive evidence for the interaction of SO2 with gold nanoparticles.

}, keywords = {cyclic voltammetry, Fourier transform infrared spectroscopy, monolayer protected gold nanoclusters (Au-MPCs), SO2 sensor, X-ray photoelectron spectra}, issn = {1533-4880}, doi = {10.1166/jnn.2008.094}, author = {Sathe, Bhaskar R. and Risbud, Mandar S. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article { ISI:000253646100010, title = {Enantioselective hydrogenation of olefins by chiral iridium phosphorothioite complex covalently anchored on mesoporous silica}, journal = {Journal of Catalysis}, volume = {254}, number = {1}, year = {2008}, month = {FEB}, pages = {91-100}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Chiral monodentate phosphorous-based ligands have proven effective for the enantioselective hydrogenation of olefins. Binol-derived monodentate phosphorothioite (PS) ligand was synthesized from binol and thiopropyltriethoxysilane, and its iridium complex was covalently anchored to mesoporous silica supports like SBA-15, MCM-41, and MCM-48. These catalysts were characterized by different physicochemical techniques and assessed for their catalytic performances in the heterogeneous asymmetric hydrogenation of itaconic acid and its derivatives. It was found that the catalytic activities and enantioselectivities of the heterogenized iridium complex (IrPSSBA-15) in the hydrogenation reactions were comparable to its homogeneous analogue. Binol-derived monodentate phosphorothioite ligand in heterogeneously anchored form (iridium complex) is a more effective catalyst than the reported monodentate phosphorous ligand systems in the hydrogenation reactions, possibly due to the changes in electronic properties around the iridium metal center. The effects of substrate-to-catalyst molar ratio, solvents, and temperature on substrate conversions and enantioselectivities, of the products were investigated in hydrogenation reactions. (c) 2007 Elsevier Inc. All rights reserved.

}, keywords = {binol, Enantioselective hydrogenation, Immobilization, iridium complex, itaconic acid, Mesoporous silica SBA-15, monodentate ligand, phosphorothioite ligand}, issn = {0021-9517}, doi = {10.1016/j.jcat.2007.12.002}, author = {Sahoo, Suman and Kumar, Pradeep and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000257231200057, title = {Enhanced field emission from hexagonal rhodium nanostructures}, journal = {Applied Physics Letters}, volume = {92}, number = {25}, year = {2008}, month = {JUN}, pages = {253106}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Shape selective synthesis of nanostructured Rh hexagons has been demonstrated with the help of a modified chemical vapor deposition using rhodium acetate. An ultralow threshold field of 0.72 V/mu m is observed to generate a field emission current density of 4 x 10(-3) mu A/cm(2). The high enhancement factor (9325) indicates that the origin of electron emission is from nanostructured features. The smaller size of emitting area, excellent current density, and stability over a period of more than 3 h are promising characteristics for the development of electron sources. (C) 2008 American Institute of Physics.

}, issn = {0003-6951}, doi = {10.1063/1.2943657}, author = {Sathe, Bhaskar R. and Kakade, Bhalchandra A. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K. and Late, Dattatray J. and More, Mahendra A. and Joag, Dilip S.} } @article { ISI:000260051800014, title = {Enhancement of glycerol conversion to acetol in high-temperature liquid water by high-pressure carbon dioxide}, journal = {Chemistry Letters}, volume = {37}, number = {9}, year = {2008}, month = {SEP}, pages = {926-927}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

Dehydration of glycerol to acetol proceeded in high-temperature liquid water at 573 K in a batch reactor. The acetol formation rate increased with an addition of high-pressure carbon dioxide.

}, issn = {0366-7022}, doi = {10.1246/cl.2008.926}, author = {Yamaguchi, Aritomo and Hiyoshi, Norihito and Sato, Osamu and Rode, Chandrashekhar V. and Shirai, Masayuki} } @article { ISI:000255107700017, title = {EPR and DRS evidence for NO2 sensing in Al-doped ZnO}, journal = {Sensors and Actuators B-Chemical}, volume = {130}, number = {2}, year = {2008}, month = {MAR}, pages = {668-673}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Zinc oxide (ZnO) is a well-known semiconducting multifunctional material wherein properties right from the morphology to gas sensitivity can be tailor-made by doping or surface modification. Aluminum (Al)-incorporated porous zinc oxide (AI:ZnO) exhibits good response towards NO2 at low-operating temperature. The NO2 gas concentration as low as 20 ppm exhibits S = 17\% for 5 wt. \% Al-incorporated ZnO. The NO2 response increases with operating temperature and concentration and reaches to its maximum at 300 degrees C without any interference from other gases such as SO3, HCl, LPG and alcohol. Physico-chemical characterization likes differential thermogravimetric analysis (TG-DTA) electron paramagnetic resonance (EPR) and diffused reflectance spectroscopy (DRS) have been used to understand the sensing behavior for pure and A]-incorporated ZnO. The TG-DTA depicts formation of ZnO phase at 287 degrees C. The EPR study reveals distinct variation for O- (g=2.003) and Zn interstitial (g = 1.98) defect sites in pure and Al:ZnO. The DRS studies elucidate signature of adsorbed NO, species in aluminium-incorporated zinc oxide indicating its tendency to adsorb these species even at low temperatures. This paper is an attempt to correlate the gas sensing behavior with the physico-chemical studies such as EPR and DRS. (c) 2007 Published by Elsevier B.V.

}, keywords = {aluminum doping, DRS, EPR, NO2 sensor, ZnO}, issn = {0925-4005}, doi = {10.1016/j.snb.2007.10.055}, author = {Navale, Shalaka C. and Ravi, V. and Srinivas, D. and Mulla, Imtiaz S. and Gosavi, S. W. and Kulkarni, S. K.} } @article { ISI:000253283700051, title = {Extracellular bacterial synthesis of protein-functionalized ferromagnetic Co3O4 nanocrystals and imaging of self-organization of bacterial cells under stress after exposure to metal ions}, journal = {Chemistry of Materials}, volume = {20}, number = {4}, year = {2008}, month = {FEB}, pages = {1484-1491}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Co3O4, which crystallizes in the spinet phase at temperatures much higher than ambient temperatures, orders antiferromagnetically below its Neel temperature (similar to 40 K). However, in nanosize, it shows ferromagnetic ordering due to surface canting, disorder, imperfect oxygen atom coordination, etc. Here, for the first time, we report the synthesis of single-crystalline, ferromagnetic Co3O4 nanoparticles functionalized with proteins (size 5-7 nm) using cobalt acetate as precursor at room temperature in aqueous medium by a metal-tolerant marine bacterium isolated from the coast of the Arabian Sea. Energetically unfavorable change in the oxidation state of Co atoms from (+2 to +3) during synthesis by the bacterial strain was evidenced by X-ray photoelectron spectroscopy. The effect on the morphology of bacterial cells after exposure to the cobalt acetate was imaged by scanning electron microscopy showing cooperative, self-organized. structured colony formation, possibly due to the interbacterial communication under external stress.

}, issn = {0897-4756}, doi = {10.1021/cm702727x}, author = {Kumar, Umesh and Shete, Ashvini and Harle, Arti S. and Kasyutich, Oksana and Schwarzacher, W. and Pundle, Archana and Poddar, Pankaj} } @article { ISI:000256975600012, title = {Extracellular synthesis of crystalline silver nanoparticles and molecular evidence of silver resistance from morganella sp.: towards understanding biochemical synthesis mechanism}, journal = {ChemBioChem}, volume = {9}, number = {9}, year = {2008}, month = {JUN}, pages = {1415-1422}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

There has been significant progress in the biological synthesis of nanomaterials. However, the molecular mechanism of synthesis of such bio-nanomaterials remains largely unknown. Here, we report the extracellular synthesis of crystalline silver nanoparticles (AgNPs) by using Morganella sp., and show molecular evidence I of silver resistance by elucidating the synthesis mechanism. The AgNPs were 20 +/- 5 nm in diameter and were highly stable at 1 room temperature. The kinetics of AgNPs formation was investigated. Detectable particles were formed after on hour of reaction, and their production remained exponential up to 18 h, and saturated at 24 h. Morganella sp. was found to be highly resistant to silver cations and was able to grow in the presence of more than 0.5 mm AgNO3. Three gene homologues viz. silE, silP and silS were identified in silver-resistant Morganella sp. The homologue of silE from Morganella sp. showed 99\% nucleotide sequence similarity with the previously reported gene, silE, which encodes a periplasmic silver-binding protein. The homologues of silP and silS were also highly similar to previously reported sequences. Similar activity was totally absent in closely related Escherichia coli; this suggests that a unique mechanism of extracellular AgNPs synthesis is associated with silver-resistant Morganella sp. The molecular mechanism of silver resistance and its gene products might have a key role to play in the overall synthesis process of AgNPs by Morganella sp. An understanding of such biochemical mechanisms at the molecular level might help in developing an ecologically friendly and cost-effective protocol for microbial AgNPs synthesis.

}, keywords = {Biosynthesis, Morganella sp., Nanoparticles, sil gene homologues, Silver}, issn = {1439-4227}, doi = {10.1002/cbic.200700592}, author = {Parikh, Rasesh Y. and Singh, Sanjay and Bhagavatula L. V. Prasad and Patole, Milind S. and Sastry, Murali and Shouche, Yogesh S.} } @article { ISI:000254017900032, title = {Facile single-step technique for simultaneous in situ fabrication of Ag/Ag2S-polymer nanocomposites via PPS cyclization route}, journal = {Chemistry Letters}, volume = {37}, number = {2}, year = {2008}, month = {FEB}, pages = {194-195}, publisher = {CHEMICAL SOC JAPAN}, type = {Article}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

We herein propose a facile single-step approach involving solid-state reaction between silver salt and engineering thermoplastic polyphenylene sulfide for simultaneous in situ generation of nanoscale metallic silver as well as semiconducting silver sulfide.

}, issn = {0366-7022}, doi = {10.1246/cl.2008.194}, author = {Waghmare, Sujata and Shinde, Manish and Gholap, Ramkrishna S. and Rao, N. Koteswara and Seth, Tanay and Amalnerkar, Dinesh P.} } @article { ISI:000262312300018, title = {First asymmetric total synthesis of penarolide sulfate A(1)}, journal = {European Journal of Organic Chemistry}, number = {36}, year = {2008}, month = {DEC}, pages = {6213-6224}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Penarolide sulfate A(1), with three contiguous stereogenic centers on a macrocyclic skeleton, affords promise as an alpha-glucosidase inhibitor. Herein, we describe the first asymmetric total synthesis of this natural product. A stereoselective strategy for rapid assembly of the complete framework of the 30-membered macrocyclic core is delineated herein. Sequential amidation and intramolecular Sonogashira cross-coupling reactions were pivotal to the success of our efforts. ((C) Wiley-VCH Verlag GmbH \& Co. KGaA, 69451 Weinheim, Germany, 2008)

}, keywords = {Asymmetric synthesis, C-C coupling, Dihydroxylation, epoxidation, Macrocycles, Regioselectivity, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.200800680}, author = {Mohapatra, Debendra K. and Bhattasali, Debabrata and Gujar, Mukund K. and Khan, Mohammad Islam and Shashidhara, K. S.} } @article { ISI:000256212400012, title = {Foldamers with unusual structural architecture from spirobi(indane) building blocks}, journal = {Chemical Communications}, number = {22}, year = {2008}, month = {JUN}, pages = {2541-2543}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication demonstrates the utility of inherently rigid building blocks such as 1,1{\textquoteright}-spirobi(indane) for generating conformationally ordered synthetic oligomers with structural architectures distinct from those classically observed.

}, issn = {1359-7345}, doi = {10.1039/b800825f}, author = {Kendhale, Amol M. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000257719700006, title = {Functionalized SBA-15 and its catalytic applications in selective organic transformations}, journal = {Catalysis Surveys from Asia}, volume = {12}, number = {2}, year = {2008}, month = {JUN}, pages = {114-130}, publisher = {SPRINGER/PLENUM PUBLISHERS}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Ordered, mesoporous SBA-15 functionalized with organic and inorganic moieties exhibits efficient catalytic activity in a variety of organic transformations. In this account, reviewing our own work, three-sets of surface-modified SBA-15 materials have been investigated. The first-set of materials consists of SBA-15 modified with organo-acidic (propyl thiol and propyl sulfonic acid) and basic (propyl amine and propyl adenine) moieties. The second-set of materials was prepared by grafting Mn complexes to the organo-functionalized SBA-15. The third-set composes of nanocrystalline metal oxides supported on SBA-15. All these catalysts have been characterized by structural and spectroscopic techniques. Catalytic activities of the first-set of solid materials have been investigated in acid/base-catalyzed reactions viz., ring-opening of epoxides with amines (producing beta-amino alcohols), esterification, three-component-Mannich reactions and cycloaddition of CO(2) to epoxides. The Mn complexes grafted on organofunctionalized SBA-15 are efficient catalysts for the chemo-, regio- and stereoselective aerial oxidation of monoterpenes at ambient conditions. TiO(x), VO(x), MoO(x) and WO(x) supported on SBA-15 catalyzed biomimetic oxyhalogenation of aromatic compounds. In all these reactions, the functionalized SBA-15 showed high selectivity.

}, keywords = {grafted Mn-Salen complexes, Ordered mesoporous silica, organofunctionalized SBA-15, oxidation catalysts, Oxyhalogenation of aromatics}, issn = {1571-1013}, doi = {10.1007/s10563-008-9044-6}, author = {Srinivas, Darbha and Saikia, Lakshi} } @article { ISI:000261950600017, title = {Furfural: hemicellulose/xylosederived biochemical}, journal = {Biofuels Bioproducts \& Biorefining-Biofpr}, volume = {2}, number = {5}, year = {2008}, month = {SEP}, pages = {438-454}, publisher = {JOHN WILEY \& SONS LTD}, type = {Review}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

Hemicellulose, the second, most common polysaccharide in nature constitutes approximately 20-35\% of lignocellulosic biomass. Effective utilization of biomass, hitherto underutilized, is gaining tremendous importance for the production of energy, fuels, and chemicals. Amongst the vast array of chemicals derived from lignocellulosics, furfural is the key chemical that finds wide applications in oil refining, plastics, pharmaceutical and agrochemical industries. There is no synthetic route for the production of furfural. A few conventional technologies currently in practice for its separation and subsequent isolation are appropriately reviewed. Major disadvantages associated with processes currently used for the production of furfural based on acid-catalyzed hydrolysis have been discussed. A need to develop a process which is devoid of all the shortcomings associated with conventional process is emphasized. Several important aspects of chemistry underlying the acid hydrolysis of xylose are discussed. The importance of myriad pre-treatment steps involved to surmount the physical and chemical barriers and to liberate xylose from the confines of acid-resistant layer of lignin has been emphasized. New developments in the production of furfural from cyclodehydration of xylose using solid acid catalysts in the recent past have been reviewed appropriately in present communication. Finally, the production of furfural and furfuryl alcohol, their domestic market and export in China deserve some coverage and therefore have appropriately been discussed as well. (c) 2008 Society of Chemical Industry and John Wiley \& Sons, Ltd

}, keywords = {acid hydrolysis, cyclodehydration, furfural, Hemicellulose, pre-treatment of lignocellulosics, Xylose}, issn = {1932-104X}, doi = {10.1002/bbb.95}, author = {Mamman, Ajit Singh and Lee, Jong-Min and Kim, Yeong-Cheol and Hwang, In Taek and Park, No-Joong and Hwang, Young Kyu and Chang, Jong-San and Hwang, Jin-Soo} } @article { ISI:000258379300046, title = {Gas-sensing properties of zinc ferrite nanoparticles synthesized by the molten-salt route}, journal = {Journal of the American Ceramic Society}, volume = {91}, number = {8}, year = {2008}, month = {AUG}, pages = {2724-2726}, publisher = {BLACKWELL PUBLISHING}, type = {Article}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

Zinc ferrite (ZnFe2O4) nanoparticles have been synthesized at 700 degrees C using sodium chloride as a growth inhibitor. Single-phase formation of spinel zinc ferrite having crystallite size in the range of 15-20 nm was observed by XRD and confirmed by TEM. In the present work, the gas-sensing properties of these zinc ferrite nanoparticles toward ethanol, LPG, H-2, NOx. SOx, and H2S have been studied. It was found that they exhibit excellent selective sensitivity toward 200 ppm of H2S at the operating temperature of 250 degrees C, and thus this nanosized ferrite is expected to be useful in an industrial application as a potential H2S gas sensor.

}, issn = {0002-7820}, doi = {10.1111/j.1551-2916.2008.02475.x}, author = {Darshane, Sonali L. and Deshmukh, Rupali G. and Suryavanshi, Shankar S. and Mulla, Imtiaz S.} } @article { ISI:000259381100010, title = {Gold mediated glycosylations: selective activation of propargyl 1,2-orthoesters in the presence of aglycones containing a propargyl moiety}, journal = {Chemical Communications}, number = {36}, year = {2008}, month = {JUL}, pages = {4282-4284}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Selective activation of propargyl 1,2-orthoesters in the presence of propargyl glycosides and propargyl ethers was studied; a catalytic amount of AuBr(3) activated the propargyloxy, group of the 1,2-orthoester thereby giving access to disaccharides with the propargyl group at the reducing end; furthermore, propargyl ethers were unaffected under the reaction conditions.

}, issn = {1359-7345}, doi = {10.1039/b806707d}, author = {Sureshkumar, Gopalsamy and Hotha, Srinivas} } @article { ISI:000259408300012, title = {Gold nanoparticle superlattices}, journal = {Chemical Society Reviews}, volume = {37}, number = {9}, year = {2008}, month = {SEP}, pages = {1871-1883}, publisher = {ROYAL SOC CHEMISTRY}, type = {Review}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Ordered metal nanoparticle assemblies-superlattices-have captivated and stirred the imagination of scientists and engineers alike and promise great prospect for future technologies. This potential though will greatly be determined by the understanding and control that can be exerted on the assembling processes. This tutorial review presents a brief account of the factors that govern the formation of superlattices and then presents several examples of gold nanoparticle superlattices that are distinguished by the size of participating particles, chain length/functional group of the capping agent, the substrates on which they form etc.

}, issn = {0306-0012}, doi = {10.1039/b712175j}, author = {Bhagavatula L. V. Prasad and Sorensen, C. M. and Klabunde, Kenneth J.} } @article { ISI:000254872600028, title = {Heteropoly acid encapsulated SBA-15/TiO(2) nanocomposites and their unusual performance in acid-catalysed organic transformations}, journal = {Chemistry-A European Journal}, volume = {14}, number = {10}, year = {2008}, month = {FEB}, pages = {3200-3212}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The preparation of SBA-15/TiO(2) nanocomposites with different loadings of Keggin-type 12-tungsto-phosphoric acid (TPA) nanocrystals in their mesochannels through a simple and effective vacuum impregnation method is reported for the first time. The catalysts have been characterised by various sophisticated techniques, including XRD, HRSEM, and TEM. It has been found that the acidity and the textural parameters of the nanocomposites can be controlled by simply changing the loadings of TPA and TiO(2) or the calcination temperature. TPA and TiO(2) loadings of 15 and 22.4 wt \%, respectively, and a calcination temperature of 1123 K have proved to be optimal for obtaining mesoporous nanocomposite materials with the highest acidity. Moreover, the activities of these catalysts in promoting hydroamination as well as Mannich and Claisen rearrangement reactions have been extensively investigated. The results show that the amount of TPA has a great influence on the activity of the nanocomposites in all of the reactions studied. The effects of other reaction parameters, such as temperature and reaction time, on the conversion and product selectivity have also been studied in detail. A kinetic analysis of the formation of the products under various reaction conditions is presented. It has been found that the activity of the nanocomposite composed of 15 wt \% TPA deposited on 22.4 wt of TiO(2) on SBA-15 in promoting the studied reaction is remarkably higher than the catalytic activities shown by pure TPA, TiO(2)-loaded SBA-15, or TPA-loaded SBA-15. The results obtained have indicated that the acidity and the structural control of the nanocomposite materials are highly critical for obtaining excellent catalytic activity, and the presented highly acidic nanocomposites are considered to show great potential for use as catalysts in promoting many acid-catalysed organic transformations.

}, keywords = {Bronsted acids, mesoporous materials, nanoreactors, nanotechnology, supported catalysts}, issn = {0947-6539}, doi = {10.1002/chem.200701562}, author = {Sawant, Dhanashri P. and Justus, Josena and Balasubramanian, Veerappan V. and Ariga, Katsuhiko and Srinivasu, Pavuluri and Velmathi, Sivan and Halligudi, Shivappa B. and Vinu, Ajayan} } @article { ISI:000260978000009, title = {Heteropoly acid-based supported ionic liquid-phase catalyst for the selective oxidation of alcohols}, journal = {Journal of Catalysis}, volume = {259}, number = {2}, year = {2008}, month = {OCT}, pages = {232-239}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

A supported ionic liquid strategy has been applied for the immobilization of a heteropolyacid, molybdovanadophosphoric acid, onto ionic liquid-modified mesoporous silica SBA-15. The immobilized catalyst demonstrated high activity in the aerobic oxidation of primary and secondary alcohols to aldehydes and ketones, respectively. No overoxidation of the primary alcohols to carboxylic acids was observed. Secondary alcohols were chemoselectively oxidized to ketones in the presence of primary alcohol, hetero atom, and allyl groups. This catalyst could be recycled five times without obvious loss of activity. (C) 2008 Elsevier Inc. All rights reserved.

}, keywords = {Air as an oxidant, Mesoporous silica SBA-15, Molybdovanadophosphoric acid, Selective oxidation, Supported ionic liquid}, issn = {0021-9517}, doi = {10.1016/j.jcat.2008.08.010}, author = {Bordoloi, Ankur and Sahoo, Suman and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000253042300017, title = {Highly efficient sulfimidation of 1,3-dithianes by Cu(I) complexes}, journal = {Synthetic Communications}, volume = {38}, number = {4}, year = {2008}, month = {FEB}, pages = {619-625}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A series of four Cu(I) complexes were tested for sulfimidation of 1,3-dithianes in the presence of [N-(p-tolysulfonyl)imino]phenyliodinane (PhI = NTs) as the nitrene-transfer agent. Cu(TMPhen)(PPh3)Br is an efficient catalyst with more than 90\% yield of the corresponding product with less reaction time as compared to the literature copper(I) complexes.

}, keywords = {1, 3-dithianes, Cu(I) complexes, PhI = NTs, sulfimidation}, issn = {0039-7911}, doi = {10.1080/00397910701798200}, author = {Giribabu, Lingamallu and Singh, Surya P. and Patil, Nandkumar M. and Kantam, M. Lakshmi and Gupte, Sunil P. and Chaudhari, Raghunath V.} } @article { ISI:000258800700002, title = {Highly selective catalytic hydrogenation of arenes using rhodium nanoparticles supported on multiwalled carbon nanotubes}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {35}, year = {2008}, month = {SEP}, pages = {13317-13319}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Rhodium nanoparticles (RhNPs; 4.9 +/- 0.4 nm) supported on multiwalled carbon nanotubes (Rh/MWNT), prepared by simple microwave treatment, show a remarkable catalytic activity for arene hydrogenation with enhanced turnover numbers of similar to 10000; disubstituted arenes show selective conversion of thermodynamically less favorable cis products (\>80\%). A series of arenes have been tested using various Rh-based catalysts, and a comparison of the results with that of reported rhodium catalysts shows unique selectivity under mild conditions.

}, issn = {1932-7447}, doi = {10.1021/jp804843h}, author = {Kakade, Bhalchandra A. and Sahoo, Suman and Halligudi, Shivappa B. and Pillai, Vijayamohanan K.} } @article { ISI:000255627700001, title = {High-purity synthesis of scrolled mats of multi-walled carbon nanotubes using temperature modulation}, journal = {Carbon}, volume = {46}, number = {4}, year = {2008}, month = {APR}, pages = {567-576}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Felt-like mats (6-7 mu m thick) of multimalled carbon nanotubes wrapped into scrolls have been synthesized by chemical vapor deposition from a toluene-ferrocene mixture using a temperature ramp from 680 degrees C to 550 degrees C in hydrogen-argon atmosphere. Thermogravimetric analysis reveals a very low catalyst content of ca. 1.25 wt\% in the as-synthesized sample while, X-ray photo electron and Raman spectroscopies suggest the results matching with that of multiwalled carbon nanotubes. Considering, different time scales of various reactions and the diffusion of different reactants and products a tentative base growth mechanism has been proposed as per the available characterization data in conjunction with possible scrolling effects. Thermal expansion effects could explain a tentative mechanism for rolling action of sheets. Interestingly, electrical conductivity measurements as a function of temperature suggest a semiconducting behavior, despite being governed by different electron transport mechanisms with activation energies of 0.33 and 1.03 meV corresponding to two temperature ranges respectively. Cyclic voltammetry and electrochemical impedance analysis show a reversible redox behavior due to very low catalyst content and an irreversible etching of the Fe catalyst after acid treatment. (C) 2007 Elsevier Ltd. All rights reserved.

}, issn = {0008-6223}, doi = {10.1016/j.carbon.2007.12.020}, author = {Kakade, Bhalchandra A. and Allouche, Hatem and Mahima, Subhramanyam and Sathe, Bhaskar R. and Pillai, Vijayamohanan K.} } @article {43067, title = {Identification of ripening specific proteins in tomato by intact tissue MALDI-TOF-MS.}, journal = {Electronic Journal of Food and Plants Chemistry}, volume = {3}, year = {2008}, month = {JAN}, pages = {10-13}, author = {Korwar, Arvind M. and Santhakumari, B. and Kulkarni, Mahesh J.} } @article { ISI:000256281800005, title = {Imaging the interaction between dengue 2 virus and human blood platelets using atomic force and electron microscopy}, journal = {Journal of Electron Microscopy}, volume = {57}, number = {3}, year = {2008}, month = {JUN}, pages = {113-118}, publisher = {OXFORD UNIV PRESS}, type = {Article}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {

Thrombocytopenia is frequently associated with dengue virus infection. Host factors such as anti-platelet immunopathogenic processes have been implicated in the origin of dengue-associated thrombocytopenia but the role of dengue virus in directly interacting with platelets and altering their hemostatic property remains incompletely understood. In the present study, we examined the effect of dengue 2 virus on the morphology and physiological activation profile of normal human platelets using atomic force microscopy, electron microscopy and flowcytometry. Platelets obtained from healthy donors were exposed to a cell culture-adapted 10(4) LD(50) dengue 2 virus isolate in vitro and the subsequent effect on morphology and activation biology studied. Our results show that dengue 2 virus exposure at doses comparable to natural viremic states in human infections can activate platelets with an increase in P-selectin expression and fibrinogen-binding property. Atomic force, scanning and transmission electron microscopy also showed typical activation-related morphological changes such as altered platelet membrane architecture, degranulation, presence of filopodia and dilatation of the open canalicular system in the dengue 2 virus-exposed platelets but not in the controls. Importantly, Japanese encephalitis virus exposure at the same dose did not activate platelets or show any morphological changes. Our findings suggest that dengue 2 virus may directly interact with and activate platelets - an event that might be important in the origin of dengue-associated thrombocytopenia. Detailed molecular characterization of this effect might provide key knowledge toward better prophylaxis of the hemostatic complications of dengue disease.

}, keywords = {AFM, dengue virus, Electron microscopy, platelet}, issn = {0022-0744}, doi = {10.1093/jmicro/dfn007}, author = {Ghosh, Kanjaksha and Gangodkar, Shobha and Jain, Preksha and Shetty, Shrimati and Ramjee, Sandhya and Poddar, Pankaj and Basu, Atanu} } @article { ISI:000257200200028, title = {Imaging the stomatal physiology of somatic embryo-derived peanut leaves by scanning electrochemical microscopy}, journal = {Analytical and Bioanalytical Chemistry}, volume = {391}, number = {6}, year = {2008}, month = {JUL}, pages = {2227-2233}, publisher = {SPRINGER HEIDELBERG}, type = {Article}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

The stomatal physiology, chlorophyll distribution and photosynthetic activity of somatic embryo (SE)- and seedling-derived peanut plants grown in vitro (test tube-grown) and extra vitrum (soil-grown) are investigated using scanning electrochemical microscopy (SECM). This SECM imaging is performed in two different feedback modes, corresponding to oxygen evolution and chlorophyll distribution. More specifically, the oxygen evolution profiles of the in vitro leaves indicate important differences in leaf anatomy between the SE- and seedling-derived leaves. On the other hand, the chlorophyll distribution images show individual stomata of size ca. 27 +/- 5 mu m. Further studies on senescing (aged) leaves reveal interesting voltammograms that vary widely over the stomatal complexes and the surrounding tissues, probably due to the release of electroactive metabolites during chlorophyll breakdown when the leaves turn yellow. Thus, the present investigation could open up new opportunities for characterizing botanical systems using electroanalytical techniques. In addition, it could provide further insights into various areas of current relevance, including signal transduction, cell fate/differentiation and developmental biology.

}, keywords = {leaf senescence, oxygen evolution, photosynthesis, SECM, somatic embryogenesis, stomata}, issn = {1618-2642}, doi = {10.1007/s00216-008-2132-7}, author = {Parthasarathy, Meera and Singh, Shweta and Hazra, Sulekha and Pillai, Vijayamohanan K.} } @article { ISI:000261282400004, title = {Immobilization of penicillin G acylase on amino functionalized mesoporous silica}, journal = {Research Journal of Biotechnology}, volume = {3}, number = {4}, year = {2008}, month = {NOV}, pages = {18-21}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, type = {Article}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {

Penicillin G acylase was immobilized on Amino functionalized mesoporous silica by adsorption method. In this paper we present the effect of penicillin G acylase immobilization on amino-functionalized mesoporous silica and the effect of silica as host matrix on enzyme kinetics. The loading capacity of immobilized Penicillin G acylase is 34 mg protein per 0.5 g of SBA-15. About 65\% of the protein was adsorbed on mesoporous silica. The stability of penicillin acylase was enhanced after immobilization on mesoporous silica. The adsorbed enzyme is more stable than the soluble form, both to temperature and pH environments and retained 73\% of its activity.

}, keywords = {Amino functionalized mesoporous silica, Immobilization, Penicillin G acylase, pH and temperature stabilities}, issn = {0973-6263}, author = {Sridevi, N. and Pallavi, Shah and Asmita, Prabhune} } @article { ISI:000252529400025, title = {Incorporation of zirconium in medium-pore aluminophosphate molecular sieves with AEL framework}, journal = {Microporous and Mesoporous Materials}, volume = {108}, number = {1-3}, year = {2008}, month = {FEB}, pages = {223-229}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Zirconium incorporated alurninophosphate molecular sieves ZrAPO-11 was synthesized by hydrothermal method. The samples were characterized by X-ray diffraction (XRD), scanning electron microscopy, thermogravimetric/differential thermal analysis (TGA/DTA), diffuse reflectance UV-visible spectroscopy, magic-angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy (P-31 and Al-27). The acidity of the materials were determined by temperature programmed desorption (TPD) of ammonia. X-ray diffraction and scanning electron microscopy reveals formation of crystalline material in pure phase. Thermal analysis shows higher template content in zirconium containing samples than the corresponding AlPOs. MAS NMR suggests incorporation of zirconium in the framework. TPD reveals that the ZrAPO-11 samples were of higher acidity than AIPO(4)-11 (c) 2007 Elsevier Inc. All rights reserved.

}, keywords = {AlPO4-11, Aluminophosphate, catalysis, Molecular sieve, ZrAPO-11}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.03.044}, author = {Ganguli, J. N. and Chakrabortty, Dhruba and Satyanarayana, C. V. V.} } @article { ISI:000255865500030, title = {Influence of pretreatment of agriculture residues on phytase production by aspergillus niger NCIM 563 under submerged fermentation conditions}, journal = {African Journal of Biotechnology}, volume = {7}, number = {8}, year = {2008}, month = {APR}, pages = {1101-1106}, publisher = {ACADEMIC JOURNALS}, type = {Article}, address = {P O BOX 5170-00200 NAIROBI, VICTORIA ISLAND, LAGOS 73023, NIGERIA}, abstract = {

The extracellular phytase production by Aspergillus niger NCIM 563 was evaluated in medium containing various agriculture residues under submerged fermentation conditions. Phytase production was affected by inorganic phosphate content of agriculture residues which ranged from 2.8 to 8 mg/g. The agriculture residues containing less than 4 mg/g inorganic phosphate supported phytase production with maximum activity of 68 IU/ml in medium containing 1\% rice bran on 11(th) day of fermentation. Addition of glucose up to 5\% in fermentation medium containing 1\% rice bran, enhanced phytase production. Pretreatment of agriculture residues with water to remove excess inorganic phosphate has significantly enhanced the phytase activity in case of de-oiled rice bran, wheat bran, peanut cake (low and high oil) and coconut cake. Maximum increase of 20.3 times in phytase activity was observed in case of wheat bran as compared to de-oiled rice bran, coconut cake, peanut cake high and low oil in which the increase in phytase activity was 6.85, 6.1, 5.3 and 3.0 times, respectively. Maximum phytase activity of 68 IU/ml was produced on the 11(th) day of fermentation compared to earlier reported 41.47 IU/ml phytase activity on the 15(th) day of submerged fermentation using 5\% dextrin and 2.5\% glucose, thus increasing productivity.

}, keywords = {Agriculture residue, Aspergillus niger, Phytase, phytate degradation, Poultry feed supplement, Submerged fermentation}, issn = {1684-5315}, author = {Bhavsar, Kavita P. and Shah, Parin and Soni, Sarvesh Kumar and Khire, Jayant Malhar} } @article { ISI:000253515100019, title = {Inositol derived crown ethers: effect of auxiliary protecting groups and the relative orientation of crown ether oxygen atoms on their metal ion binding ability}, journal = {Tetrahedron}, volume = {64}, number = {9}, year = {2008}, month = {FEB}, pages = {2160-2171}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The binding constants of crown ethers prepared from tetra-O-substituted myo- and scyllo-inositol derivatives and 2-O-substituted myo- and scyllo-inositol-1,3,5-orthoformates, with metal picrates show that the O-substituents and the relative orientation of the crown ether oxygen atoms contribute significantly to the binding of crown ethers with metal ions. In particular, the binding efficiency of myo-inositol derived crown ethers to silver and potassium ions could be enhanced by introducing benzyl ethers in the inositol ring. Hence binding efficacy and selectivity of metal ions to inositol derived crown ethers can be tuned by varying substituents on the myo-inositol ring and/or the relative orientation of crown ether oxygen atoms. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {crown ether, Cyclitol, Inositol, ligand, metal complex, supramolecule}, issn = {0040-4020}, doi = {10.1016/j.tet.2007.12.034}, author = {Dixit, Shailesh S. and Shashidhar, Mysore S.} } @article { ISI:000255223800001, title = {Ionic liquids: physico-chemical, solvent properties and their applications in chemical processes}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {47}, number = {4}, year = {2008}, month = {APR}, pages = {495-503}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

A new class of compounds, called as ionic liquids, has recently emerged as potential substitute for volatile organic solvents. Ionic liquids possess certain special physico-chemical characteristics that render them very useful in different areas of research and development. In this review, the physico-chemical properties and the applications of ionic liquids in chemical processes are critically discussed and recommendations made for probing further the poorly understood aspect of this newly emerging class of compounds.

}, issn = {0376-4710}, author = {Singh, Geetanjali and Kumar, Anil} } @article { ISI:000255905400010, title = {Kinetics of PbCrO(4) nanorod growth by oriented attachment at the air-water interface}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {20}, year = {2008}, month = {MAY}, pages = {7557-7561}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Oriented attachment is a new way of crystal growth to transform preformed nanoparticles into hierarchical assemblies. Here, we demonstrate the use of liquid-liquid interfaces toward the formation of PbCrO(4) nanoparticles and their subsequent time-dependent self-assembly at the air-water interface into nanorods by oriented attachment. EDAX and XPS analysis indicate the formation of stoichiometric PbCrO(4). TEM studies at different stages of aging reveal that the transformation from nanoparticles to nanorods is kinetically governed. HRTEM analysis indicates nanorod growth along the [110] plane. UV-visible spectra reveal the presence of peaks at 425 and 515 nm for nanorods, while for the nanoparticle sample, a single peak at 425 urn is evident. As formation of ultrathin films over a large area (typically equal to or greater than 1 mu m x 1 mu m) concomitantly accompanies this approach, it can be extended to other materials as well for nanostructured device applications.

}, issn = {1932-7447}, doi = {10.1021/jp801577y}, author = {Hawaldar, Ranjit R. and Sathaye, Shivaram D. and Harle, Arti S. and Gholap, Ramkrishna S. and Patil, Kashinath R.} } @article { ISI:000254425200040, title = {Linear assembly of hexadecanethiol coated gold nanoparticles}, journal = {Chemical Physics Letters}, volume = {454}, number = {4-6}, year = {2008}, month = {MAR}, pages = {345-349}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An interesting formation of linear assembly of hexadecanethiol coated gold nanoparticles is demonstrated. The nanoparticles used were synthesized in an organic medium and then were subjected to digestive ripening to finally yield monodisperse nanoparticles. A simple drop casting on TEM grid lead to the results observed. Based on the thermo gravimetric analysis, it is hypothesized that inclusion of the particles in Au(I)-thiolate template is mainly responsible for the formation of linear assembly. (c) 2008 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2008.02.053}, author = {Sidhaye, Deepti S. and Bhagavatula L. V. Prasad} } @article { ISI:000258195800007, title = {Low temperature synthesis of ZnSe nanoparticles}, journal = {Materials Letters}, volume = {62}, number = {23}, year = {2008}, month = {AUG}, pages = {3803-3805}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Synthesis of thioglycerol capped zinc selenide nanoparticles with a relatively narrow size distribution by a simple and inexpensive low temperature (similar to 80 degrees C) wet chemical method is reported here. Main advantage of this method is the use of non-toxic precursors. The size of the nanoparticles can be varied easily by changing the concentration of the capping agent. The extracted nanoparticles remain stable under normal atmospheric conditions and can be redispersed in suitable solvents. The sharp absorption features obtained in the UV-Visible absorption spectra reveal the formation of monodispersed ZnSe nanoparticles. The nanoparticles were characterized using X-ray photoelectron spectroscopy, X-ray diffraction, UV-Visible absorption spectroscopy, photoluminescence and transmission electron microscopy. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Luminescence, Nanomaterials, Semiconductor, X-ray techniques}, issn = {0167-577X}, doi = {10.1016/j.matlet.2008.04.082}, author = {Deshpande, Aparna and Singh, Shashi B. and Abyaneh, Majid Kazemian and Pasricha, Renu and Kulkarni, S. K.} } @article { ISI:000261061100016, title = {Magnetic and Mossbauer spectroscopic studies of NiZn ferrite nanoparticles synthesized by a combustion method}, journal = {Hyperfine Interactions}, volume = {183}, number = {1-3}, year = {2008}, month = {APR}, pages = {99-107}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The properties of nanocrystalline Ni(0.5)Zn(0.5)Fe(2)O(4) synthesized by an auto-combustion method have been investigated by magnetic measurements and Mossbauer spectroscopy. The as-synthesized single phase nanosized ferrite powder is annealed at different temperatures in the range 673-1,273 K to obtain nanoparticles of different sizes. The powders are characterized by powder X-ray diffraction, vibrating sample magnetometer, transmission electron microscopy and Mossbauer spectroscopy. The as-synthesized powder with average particle size of similar to 9 nm is superparamagnetic. Magnetic transition temperature increases up to 665 K for the nanosized powder as compared to the transition temperature of 548 K for the bulk ferrite. This has been confirmed as due to the abnormal cation distribution, as evidenced from room temperature Mossbauer spectroscopic studies.

}, keywords = {Ferrite, magnetic properties, Mossbauer spectroscopy, Nanoparticles}, issn = {0304-3843}, doi = {10.1007/s10751-008-9736-3}, author = {Sreeja, V. and Vijayanand, S. and Deka, Sasanka and Joy, Pattayil Alias} } @article { ISI:000254833600003, title = {Media optimization for the production of cephalosporin C acylase from a novel bacterial source: alcaligenes xylosoxidans MTCC*491}, journal = {Research Journal of Biotechnology}, volume = {3}, number = {1}, year = {2008}, month = {FEB}, pages = {16-21}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {

The Gram-negative bacterium Alcaligenes xylosoxidans MTCC *491 has been studied for the production of cephalosporin C acylase (CCA), a pharmaceutically important enzyme. The enzyme hydrolyses cephalosporin C (CPC), a natural product, to 7-aminocephalosporanic acid, a key intermediate in the production of semisynthetic cephalosporin antibiotics. Effect of medium, pH, temperature, carbon source, nitrogen source and incubation time, on the production of CCA was studied. 7.7 IU/ml activity was obtained when Luria Bertani broth (LB) was used as a fermentation medium. Glucose and galactose increased the enzyme activity by 9 \% and 22 \%, while all the nitrogen sources tested showed a repressive effect. Maximum CCA activity was observed around the 5(th) day of incubation indicating potential role of CCA in secondary metabolism. pH 8.0 and 40 degrees C were found to be the optimum conditions for acylase activity.

}, keywords = {alcaligenes xylosoxidans MTCC*491, cephalosporin C (CPC), cephalosporin C acylase (CCA), fermentation carbon source, nitrogen source}, issn = {0973-6263}, author = {Nupura, Hirve and Asmita, Tingare and Sharat, B. and Asmita, Prabhune} } @article { ISI:000251870400005, title = {Microwave assisted low temperature rapid synthesis of manganite system using La0.67Ce0.03Sr0.3MnO3 mini-cavity furnace}, journal = {Materials Letters}, volume = {62}, number = {2}, year = {2008}, month = {JAN}, pages = {191-193}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Amorphous La0.7Sr0.3MnO3 (LSMO) and La0.7Ca0.3MnO3 (LCMO) precursor powders synthesized by the citrate gel method at 673 K, have been found to crystallize by microwave irradiation in just 60 s using La0.67Ce0.03Sr0.3MnO3 (Ce-LSMO) as couplant. This is the lowest temperature treatment and synthesis time so far reported in literature for the fort-nation of manganite systems. Using ceramic route, the same amorphous samples crystallize on heat treatment only at temperatures greater than 1000 K. The microwave heating through this method is novel and has tremendous potential for accelerating the evolution of the product phase in very shorter durations, with just low temperature processing of the precursors, which cannot be realized in normal process. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Citrate gel method, LSMO, Manganites, Microwave, Oxides}, issn = {0167-577X}, doi = {10.1016/j.matlet.2007.05.002}, author = {Kale, Sangeeta N. and Rajagopal, Rajashree and Mona, J. and Londhe, D. P. and Joshi, Rakesh S. and Jagadale, Tushar C. and Satyanarayana, C. and Ravi, V.} } @article { ISI:000261711400041, title = {Molecular association via halogen bonding and other weak interactions in the crystal structures of 11-bromo-12-oxo-5 beta-cholan derivatives}, journal = {Journal of Molecular Structure}, volume = {892}, number = {1-3}, year = {2008}, month = {DEC}, pages = {246-253}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Methyl 3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 2, methyl 11 alpha-bromo-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 3, methyl 11 beta-bromo-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 4 and methyl 11,11-dibromo-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 5 were synthesized. The crystal structures of these molecules were resolved to study the effect of bulky bromine atom in the steroid skeleton of cholic acid with different stereo-chemical orientations at C-11 on the two-dimensional arrangement of molecules and solid-state properties. All the molecules associate only via weak intermolecular interactions in their crystal structures, notable one being the Halogen Bonded assembly (C-Br center dot center dot center dot O) in 5. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {11-Bromosteroids, Cholic acid, crystal structure, Halogen bonding}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2008.05.051}, author = {Salunke, Deepak B. and Hazra, Braja G. and Gonnade, Rajesh G. and Pore, Vandana S. and Bhadbhade, Mohan M.} } @article { ISI:000256043100031, title = {Molecules to supermolecules and self assembly: a study of some cocrystals of cyanuric acid}, journal = {Tetrahedron Letters}, volume = {49}, number = {22}, year = {2008}, month = {MAY}, pages = {3666-3671}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The preparation and structure elucidation of cocrystals 1a, 1b, 2a- 4a, formed from cyanuric acid (CA) and the aza-donor compounds 4,7-phenanthroline, 1,7-phenanthroline, phenazine and 1, 3 -bis(4-pyridyl) propane, respectively, have been reported. While CA forms different types of self-assembling modes-monomers (la), dimers (1b and 4a) and infinite tapes (2a and 3a)-the recognition of the constituents, however, is through a triple hydrogen-bonding pattern, consisting of an N-H center dot center dot center dot N and two C-H center dot center dot center dot O hydrogen bonds, except in 4a. (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.03.143}, author = {Marivel, S. and Suresh, E. and Pedireddi, V. R.} } @article { ISI:000258965100011, title = {Mossbauer spectroscopic investigations of nanophase iron oxides synthesized by thermal plasma route}, journal = {Materials Characterization}, volume = {59}, number = {9}, year = {2008}, month = {SEP}, pages = {1215-1220}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Magnetic nanoparticles of iron oxide were synthesized by transferred arc plasma induced gas phase condensation method. Structural, morphological and magnetic studies of the as synthesized powder were carried out using X-ray diffraction, transmission electron microscopy and Mossbauer spectroscopy. These studies have revealed the simultaneous nucleation and condensation of different magnetic phases with a broad size distribution of the nanoparticles which is peaked at 30-50 nm and ranges from 10 nm to 80 nm. 57 Fe Mossbauer spectra recorded at various temperatures (5 K-300 K) in presence of external magnetic field (at 5 K) have suggested the presence of different phases of iron oxide with sizable amounts of gamma-Fe2O3 and alpha-Fe2O3 in addition to Fe3O4. The relative concentrations of these phases have been obtained by a self consistent spectral area analysis and were found to be 44:22:34 (\%). (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {iron oxides, Mossbauer spectroscopy, phase analysis, plasma synthesis}, issn = {1044-5803}, doi = {10.1016/j.matchar.2007.10.003}, author = {Nagar, Harshada and Kulkarni, Naveen V. and Karmakar, Soumen and Sahoo, B. and Banerjee, Indrani and Chaudhari, P. S. and Pasricha, R. and Das, A. K. and Bhoraskar, S. V. and Date, Sadgopal K. and Keune, W.} } @article { ISI:000251070500021, title = {Multicanonical jump walk annealing assisted by tabu for dynamic optimization of chemical engineering processes}, journal = {European Journal of Operational Research}, volume = {185}, number = {3}, year = {2008}, month = {MAR}, pages = {1213-1229}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A hybrid methodology, viz., multicanonical jump walk annealing assisted by tabu list (MJWAT) is proposed for solving dynamic optimization problems in chemically reacting systems. This method combines the power of multicanonical sampling with the beneficial features of simulated annealing. Incorporating tabu list further enhances the efficiency of the method. The superior performance of the MJWAT is highlighted with the help of five benchmark case studies. (C) 2006 Elsevier B.V. All rights reserved.

}, keywords = {dynamic optimization, metaheuristics, Monte Carlo simulations, multicanonical algorithms, simulated annealing, tabu conditions}, issn = {0377-2217}, doi = {10.1016/j.ejor.2006.06.049}, author = {Shelokar, P. S. and Jayaraman, Valadi K. and Kulkarni, B. D.} } @article { ISI:000260397500006, title = {NaIO4-KI-NaN3 as a new reagent system for C-H functionalization in hydrocarbons}, journal = {Tetrahedron Letters}, volume = {49}, number = {45}, year = {2008}, month = {NOV}, pages = {6401-6403}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The NaIO4-KI-NaN3 combination has been found to be an efficient, reliable, and inexpensive reagent system for mono- and 1,2-difunctionalization of hydrocarbons via C-H bond activation to afford vicinal azido- and acetoxy iodinations of cyclic hydrocarbons. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {azides, C-H activation, Iodination, NaIO4}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.08.071}, author = {Chouthaiwale, Pandurang V. and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000261559400012, title = {Natural gum reduced/stabilized gold nanoparticles for drug delivery formulations}, journal = {Chemistry-A European Journal}, volume = {14}, number = {33}, year = {2008}, month = {OCT}, pages = {10244-10250}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

{\textquoteleft}{\textquoteleft}Gellan Gum{\textquoteright}{\textquoteright}, widely used in food and confectionary industry as a thickening and gelling agent, has been employed as a reducing and stabilizing agent for the synthesis of gold nanoparticles. These nanoparticles display greater stability to electrolyte addition and pH changes relative to the traditional citrate and borohydride reduced nanoparticles. Subsequently these have been used to load anthracycline ring antibiotic doxorubicin hydrochloride. The drug loaded on these nanoparticles showed enhanced cytotoxic effects on human glioma cell lines LN-18 and LN-229.

}, keywords = {Apoptosis, Cytotoxicity, drug delivery, Gold, Nanostructures, natural gums}, issn = {0947-6539}, doi = {10.1002/chem.200801093}, author = {Dhar, Sheetal and Reddy, E. Maheswara and Shiras, Anjali and Pokharkar, Varsha and Bhagavatula L. V. Prasad} } @article { ISI:000259140700055, title = {N-doped TiO2 nanoparticle based visible light photocatalyst by modified peroxide sol-gel method}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {37}, year = {2008}, month = {SEP}, pages = {14595-14602}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The peroxide gel route is employed to synthesize N-doped TiO2 nanoparticles (NP) at low temperature using titanium tetraisopropoxide, ethylmethylamine, and hydrogen peroxide as precursors. Structural studies show anatase phase in the undoped titania NPs as well as at 5 at. \% N-doped titania NPs, although with a degree of matrix disorder in the latter case. The annealing of N-doped titania NPs at different temperatures shows that above 400 degrees C nitrogen escapes the O-Ti-O matrix and at 500 degrees C the sample becomes crystalline. Transmission electron microscopy reveals that the particle size is in the range of 20-30 nm for the undoped TiO2 but only 5-10 nm for N-doped TiO2. At higher nitrogen concentration (10 at. \%) bubble-like agglomerates form. FTIR and photoluminescence quenching also confirm the incorporation of nitrogen in anatase TiO2. Optical properties reveal an extended tailing of the absorption edge toward the visible region upon nitrogen doping. X-ray photoelectron spectroscopy is used to examine the electronic state of doped nitrogen and the associated possible electronic modification of the TiO2 matrix. Under visible light irradiation the undoped TiO2 NPs do not show any significant photocatalytic activity, as expected; however, the 5 at. \% N-doped TiO2 NPs show excellent activity.

}, issn = {1932-7447}, doi = {10.1021/jp803567f}, author = {Jagadale, Tushar C. and Takale, Shrikant P. and Sonawane, Ravindra S. and Joshi, Hrushikesh M. and Patil, Shankar I. and Kale, Bharat B. and Ogale, Satishchandra B.} } @article { ISI:000262377000014, title = {Near-complete phase transfer of single-wall carbon nanotubes by covalent functionalization}, journal = {Journal of Chemical Sciences}, volume = {120}, number = {6}, year = {2008}, note = {International Conference on Molecules and Materials - New Directions, Bangalore, INDIA, DEC 04, 2008}, month = {NOV}, pages = {599-606}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

We describe here an efficient phase transfer of single wall carbon nanotubes (SWNTs) from aqueous to non-aqueous media using a unique amide functionalization route, where water soluble SWNTs (2.6 mg/mL) are effectively transferred to solvents like chloroform, toluene and CS(2). A maximum of 30 wt\% of oxygenated groups have been generated on the side walls by rapid microwave treatment, leading to a solubility of more than 2.6 mg/mL in water. Approximate surface amine coverage of 50\% has been accomplished after oxalyl chloride treatment as inferred from thermogravimetry and X-ray photoelectron spectroscopy by controlling several key parameters associated with the extent of functionalization including purity of the sample, temperature and time.

}, keywords = {Carbon nanotubes, microscopy, Microwave, Nanostructures, solubility of SWNTs}, issn = {0253-4134}, doi = {10.1007/s12039-008-0091-3}, author = {Kakade, Bhalchandra A. and Patil, Sanjay and Sathe, Bhaskar and Gokhale, Suresh and Pillai, Vijayamohanan} } @article { ISI:000258370500015, title = {New approach towards imaging lambda-DNA using scanning tunneling microscopy/spectroscopy (STM/STS)}, journal = {Bulletin of Materials Science}, volume = {31}, number = {3}, year = {2008}, note = {National Review and Coordination Meeting on Nanoscience and Nanotechnology, Hyderabad, INDIA, 2007}, month = {JUN}, pages = {309-312}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A new methodology to anchor A-DNA to silanized n-Si(111) surface using Langmuir Blodget trough was developed. The n-Si (111) was silanized by treating it with low molecular weight octyltrichlorosilane in toluene. Scanning tunneling microscopy (STM) image of lambda-DNA on octyltrichlorosilane deposited Si substrate shows areas exhibiting arrayed structures of 700 nm length and 40 nm spacing. Scanning tunneling spectroscopy (STS) at different stages depict a broad distribution of defect states in the bandgap region of n-Si(111) which presumably facilitates tunneling through otherwise insulating DNA layer.

}, keywords = {DNA, Langmuir Blodget technique, Scanning tunneling microscopy, silanization}, issn = {0250-4707}, doi = {10.1007/s12034-008-0049-6}, author = {Dey, Shirshendu and Pethkar, Sushama and Adyanthaya, Suguna D. and Sastry, Murali and Dharmadhikari, C. V.} } @article {43210, title = {New route to eremophilanes: synthesis of (+/-)-eremophilenolide, (+/-)-eremophiledinone, and (+/-)-deoxyeremopetasidione}, journal = {Tetrahedron Letters}, volume = {49}, year = {2008}, month = {OCT}, pages = {6084-6086}, abstract = {A new and efficient route to the family of eremophilanes is reported. Key steps are the highly stereocontrolled Diels-Alder reaction and aldol condensation to furnish a cis-decalin system with the desired stereochemistry present in the eremophilane family of natural products. This approach is general and was utilized for the synthesis of (+/-)-eremophilenolide, (+/-)-eremophiledinone, and (+/-)-deoxyeremopetasidione. (C) 2008 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2008.08.006}, author = {Srinivas, P. and Reddy, D. Srinivasa and Kumar, K. Shiva and Dubey, P. K. and Iqbal, Javed and Das, Parthasarathi} } @article { ISI:000260533000029, title = {Noniterative density functional response approach: application to nonlinear optical properties of p-nitroaniline and its methyl-substituted derivatives}, journal = {Journal of Physical Chemistry A}, volume = {112}, number = {44}, year = {2008}, month = {NOV}, pages = {11266-11272}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report the effect of substitution, position of the substituent, and the symmetry on the nonlinear optical properties of p-nitroanline (PNA) and its derivatives using our implementation of the noniterative approximation of couple-perturbed Kohn-Sham (CPKS) equation in the deMon2k. Dipole moment, static polarizability, and first hyperpolarizability of these pi-conjugated donor-acceptor organic derivatives of PNA and its methyl-substituted analogs are calculated using our method at different exchange correlation functionals, namely, BP86, BPW91, and BLYP, using 6-31++G** basis set. A comparison of results obtained by our method with those obtained by MP2 (finite-field perturbation) method is presented in this paper. The effect of optical gap on charge transfer and subsequently on polarizabilities has been illustrated.

}, issn = {1089-5639}, doi = {10.1021/jp806204q}, author = {Sophy, K. B. and Shedge, Sapana V. and Pal, Sourav} } @article { ISI:000261275000005, title = {Non-phosgene route for the synthesis of methyl phenyl carbamate using ordered AISBA-15 catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {295}, number = {1-2}, year = {2008}, month = {NOV}, pages = {29-33}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Methyl phenyl carbamate (MPC) has been synthesized Under liquid phase conditions from dimethyl carbonate and aniline by using mesoporous AISBA-15 catalyst. The catalyst with different Si/Al ratio was synthesized by isomorphous Substitution of aluminium into the framework of siliceous SBA-15. The structural integrity of the catalyst system was diagnosed with the help of various characterization techniques Such as X-ray diffraction, Surface analysis, and the acidity measurement has been done by TPD using ammonia as probe molecule. AISBA-15 (Si/Al = 10) exhibited highest catalytic activity in the synthesis of MPC under the reaction Conditions Studied. The effect of parameters Such as molar ratio of reactants, catalyst concentration. reaction temperature and time on the conversion of aniline was investigated. The results demonstrated that an aniline conversion of 99\% and MPC selectivity of 71\% were achieved when the reaction was carried out at 100 C, DMC to aniline mole ratio of 10 with 5\% of catalyst (wt\% of total reaction mixture) for 3 h. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {amines, Dimethyl carbonate, Mesoporous AISBA-15, Methoxycarbonylation, Methyl phenyl carbamate}, issn = {1381-1169}, doi = {10.1016/j.molcata.2008.08.009}, author = {Lucas, Nishita and Amrute, Amol P. and Palraj, K. and Shanbhag, G. V. and Vinu, Ajayan and Halligudi, Shivaraj B.} } @article { ISI:000254698300034, title = {Novel hydroxide precursors to prepare NaNbO3 and KNbO3}, journal = {Ceramics International}, volume = {34}, number = {3}, year = {2008}, month = {APR}, pages = {671-673}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Firstly, fresh niobium, hydroxide was precipitated from NbF5 solution using an aqueous ammonium hydroxide under basic conditions. Then a simple procedure of mixing potassium (or sodium) and niobium hydroxides together and heating at a low temperature (\<400 degrees C) produced KNbO3 (KN) or NaNbO3 (NN) powders. This is the lowest temperature so far reported for the formation of these phases. The phase content and lattice parameters are determined by X-ray diffraction (XRD). The average particle size and morphology were studied by scanning electron microscopy (SEM). (c) 2007 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {chemical preparation, niobates, Perovskites, powders, X-ray methods}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2006.12.014}, author = {Muthurajan, H. and Kumar, H. H. and Samuel, V. and Gupta, U. N. and Ravi, V.} } @article { ISI:000253450900017, title = {Novel method for the protection of amino alcohols and carbonyl compounds over a heterogeneous, reusable catalyst}, journal = {Catalysis Communications}, volume = {9}, number = {5}, year = {2008}, month = {MAR}, pages = {645-649}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel application of Al-SBA-15 catalyst in the protection of amino alcohols and carbonyl compounds is reported. N-t-butoxy carbonyl [N(Boc)] amino alcohols were protected using 2,2-dimethoxyproparic (DMP) to form acetonides. Acetonide deprotection was also studied using the same catalyst to obtain the parent amino alcohol. Protection of carbonyl compounds was Studied using neopentyl glycol, ethylene glycol and propylene glycol as the protecting agents. A series of commercially important molecules Such as 2-substituted and 2,2-disubstituted 1,3-benzodioxoles were synthesized by reacting carbonyl compounds with catechol. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Acetalization, acetonide, Amino alcohol, benzodioxole, protection}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.07.008}, author = {Srivastava, P. and Srivastava, R.} } @article { ISI:000258775400012, title = {Novel process for the synthesis of class I antiarrhythmic agent (+/-)-cibenzoline and its analogs}, journal = {Synthetic Communications}, volume = {38}, number = {17}, year = {2008}, month = {AUG}, pages = {2967-2982}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Synthesis of (+/-)-cibenzoline and its analogs has been achieved by a simple sequence of reactions. The diaryl cyanoolefin intermediate 3 could be prepared by Knoevenagel condensation of benzophenone with ethylcyanoacetate to form the tetra-substituted olefin intermediate 2 followed by Krapcho deethoxycarbonylation or from beta-hydroxynitrile intermediate 2{\textquoteright} followed by the elimination of hydroxyl group respectively. The 2,2-diphenylcyclopropanecarbonitrile 4 was synthesized from intermediate 3 by cyclopropanation, which was converted to (+/-)-2-(2,2-diphenylcyclopropyl)-2-imidazoline 5 by reaction with ethylenediamine in the presence of a catalytic amount of sulfur. Moreover, the obtained 2-imidazolines were smoothly oxidized to the corresponding imidazoles 6 in good to moderate yields.

}, keywords = {Benzophenone, cibenzoline, cyclopropanation, diaryl cyanoolefin}, issn = {0039-7911}, doi = {10.1080/00397910802006388}, author = {Gholap, Atul R. and Paul, Vincent and Srinivasan, Kumar V.} } @article { ISI:000253625100010, title = {Novel stereoselective synthesis of pachastrissamine (jaspine B) starting from 1-pentadecanol}, journal = {Tetrahedron-Asymmetry}, volume = {19}, number = {2}, year = {2008}, month = {FEB}, pages = {209+}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A novel stereoselective synthesis of pachastrissamine (jaspine B), starting from commercially available 1-pentadecanol is described. Sharpless asymmetric dihydroxylation and a chelation controlled vinyl Grignard reaction are the key steps in this synthetic strategy. (C) 2007 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2007.12.001}, author = {Venkatesan, K. and Srinivasan, K. V.} } @article { ISI:000254450600014, title = {Novel three dimensional cubic Fm3m mesoporous aluminosilicates with tailored cage type pore structure and high aluminum content}, journal = {Advanced Functional Materials}, volume = {18}, number = {4}, year = {2008}, month = {FEB}, pages = {640-651}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Novel three dimensional cubic Fm3m mesoporous aluminosilicates (AIKIT-5) with very high structural order and unprecedented loadings of Al in the silica framework have been successfully prepared for the first time by using non ionic surfactant as a template in a highly acidic medium. The obtained materials have been unambiguously characterized in detail by several sophisticated techniques such as XRD, N, adsorption, HRTEM, HRSEM, EDS, elemental mapping, Al-27 MAS NMR, and NH3-TPD. We also demonstrate that the nature, and the amount of Al incorporation in the silica framework can easily be controlled by simply varying the n(H2O)/n(HCl) and the n(Si)/n(Al), ratios, and the Al sources in the synthesis gel. Among the Al sources examined, the Al isopropoxide (AiPr) is superior over other Al sources. Al-27 MAS NMR results reveal that the amount of tetrahedral Al in the framework can be controlled by simply adjusting the nSi/nAl ratio in the synthesis gel, which increases with increasing the Al incorporation. One of the interesting findings in the work is the increase of the specific surface area, specific pore volume and the pore diameter of AIKIT-5 with increasing the Al incorporation in the silica framework (up to n(Si)/n(Al), ratio of 10) while retaining the well-ordered three dimensional cage type porous structure, and the mechanism for the unusual behavior has been discussed in detail. Finally, the acidity and the catalytic activity in the acetylation of veratrole of the AIKIT-5 catalysts have been studied and the results have been compared with the several zeolites catalysts. Among the catalysts examined, AIKIT-5(10) is found to be superior over the zeolites catalysts such as mordenite, zeolite H-Y, zeolite H-beta, and ZSM-5.

}, issn = {1616-301X}, doi = {10.1002/adfm.200701027}, author = {Srinivasu, Pavuluri and Alam, Sher and Balasubramanian, Veerappan V. and Velmathi, Sivan and Sawant, Dhanashri P. and Boehlmann, Winfred and Mirajkar, Subhash P. and Ariga, Katsuhiko and Halligudi, Shivappa B. and Vinu, Ajayan} } @article { ISI:000253715400006, title = {Observations of enhanced aerosol longwave radiative forcing over an urban environment}, journal = {Geophysical Research Letters}, volume = {35}, number = {4}, year = {2008}, month = {FEB}, pages = {L04817}, publisher = {AMER GEOPHYSICAL UNION}, address = {2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA}, abstract = {

Collocated measurements of sun/ sky radiance, aerosol chemical composition and radiative fluxes have been utilized to estimate longwave aerosol radiative forcing over Pune, an Indian urban site during dry winter [Dec2004 to Feb2005] by two methods. Hybrid method which uses observed downwelling and modeled upwelling longwave fluxes for different aerosol loadings yielded a surface forcing of 9.4 Wm(-2). Model approach includes utilization of skyradiometer derived spectral aerosol optical properties in the visible and near infra-red wavelengths, modeled aerosol properties in 1.2-40 mu m using observed soot and chemical composition data, MODIS water vapor and TOMS column ozone in a radiative transfer model. Estimates from model method showed longwave enhancement of 6.5 and 8.2Wm(-2) at the surface with tropical model atmosphere and temporally varying profiles of temperature and humidity, respectively. Study reveals that about 25\% of the aerosol shortwave cooling is being compensated by increase in longwave radiation due to aerosol absorption.

}, issn = {0094-8276}, doi = {10.1029/2007GL032879}, author = {Panicker, A. S. and Pandithurai, G. and Safai, P. D. and Kewat, S.} } @article { ISI:000271775108158, title = {ORGN 511-Total synthesis of 7-chloro-10-methoxycamptothecin: an important synthon for commercially important derivatives of camptothecin}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {235}, year = {2008}, note = {235th American-Chemical-Society National Meeting, New Orleans, LA, APR 06-10, 2008}, month = {APR}, publisher = {Amer Chem Soc}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0065-7727}, author = {Sharma, Anil and Chavan, Subhash P. and Venkatraman, M. S.} } @article { ISI:000257287600018, title = {Peculiarities of the adsorption kinetics of mixed convex plus concave contour objects}, journal = {Physical Review E}, volume = {77}, number = {6, 2}, year = {2008}, month = {JUN}, pages = {066111}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

Random sequential adsorption of mixed convex plus concave contour (MC) objects exhibits some distinctly different peculiar characteristics than the cases of purely convex objects. Though the substrate coverage approaches the jamming limit with time t as t(-p), same as that for convex objects, the law p similar to 1/d(f), valid for convex objects with d(f) degrees of freedom, does not hold for MC objects. Interestingly, for a fixed number of degrees of freedom, the exponent p changes with the degree of nonconvexity and bears a near perfect correlation with the same.

}, issn = {1539-3755}, doi = {10.1103/PhysRevE.77.066111}, author = {Shelke, Pradip B. and Ogale, S. B. and Khandkar, M. D. and Limaye, A. V.} } @article { ISI:000261329400003, title = {Periodic mesoporous silicas and organosilicas: an overview towards catalysis}, journal = {Catalysis Surveys from Asia}, volume = {12}, number = {4}, year = {2008}, month = {DEC}, pages = {266-282}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Micelle-templated mesoporous and organic-inorganic hybrid mesoporous materials are important in many fields of material research, especially for hosting catalysts in confined space. Among this class, the recent discovery of periodic mesoporous organosilicas (PMOs) represent an exciting new group of organic-inorganic nanocomposites targeted for a broad range of applications ranging from catalysis to microelectronics. Compared to the earlier generation of organic-inorganic hybrid mesoporous samples, obtained by the cocondensation reaction or by the grafting reaction, PMOs represent the right combination of organic and inorganic groups in the frame wall positions. This article reviews the current state of art in organic-inorganic hybrid mesoporous material research with special emphasis over periodic mesoporous organosilica materials having various redox centers (Ti, V, Cr) suitable for oxidation reactions as well as acidic sites (Al, -SO(3)H) for the organic transformation of bulky molecules.

}, keywords = {Acid catalysis, epoxidation, Mesoporous organosilicas, Organic-inorganic hybrid materials}, issn = {1571-1013}, doi = {10.1007/s10563-008-9056-2}, author = {Shylesh, S. and Samuel, Prinson P. and Sisodiya, Sheetal and Singh, A. P.} } @article { ISI:000258059800006, title = {Phytochemical constituents and pharmacological activities of calotropis procera}, journal = {Plant Archives}, volume = {8}, number = {1}, year = {2008}, month = {APR}, pages = {23-27}, publisher = {R S YADAV}, address = {606-2 S CIVIL LINES, MUZAFFARNAGAR, 251 001, INDIA}, abstract = {

In spite of many synthetic compounds, the most efficient drugs have their origin directly or indirectly related with the plant kingdom. Many of the plant extracts have proven to posses important pharmacological actions depending upon the chemical constituents present. Calotropis procera, plant generally considered as a poisonous whereas widely used in the traditional medicinal system like Ayurveda and Unani. This plant has been reported to poses alkaloids, glycosides, flavonoids, triterpines etc in different parts and exhibit various pharmacological activities like anti-fertility, wound healing, antimalerial, antidiarrhoeal, anti-inflammatory etc. This review highlights some of the phytochemical and pharmacological aspects of Calotropis procera.

}, keywords = {calactin, calotoxin, Calotropis procera, pharmacological activities, phytochemical constituents, procesterol}, issn = {0972-5210}, author = {Qureshi, Absar A. and Qureshi, Azfar A. and Omer, Shaista and Sanghai, Dhirendra B. and Setty, S. R. and Bhajipale, N. S.} } @article { ISI:000258683600017, title = {pK(a)-Directed host-guest assemblies: rational analysis of molecular adducts of 2,4-diamino-6-methyl-1,3,5-triazine with various aliphatic dicarboxylic acids}, journal = {Chemistry-A European Journal}, volume = {14}, number = {23}, year = {2008}, month = {JUL}, pages = {6967-6977}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Molecular adducts of 2,4-diamino-6-methyl-1,3,5-triazine (1) have been prepared with various aliphatic dicarboxylic acids. The molecular complexes (1a-1i) thus formed by co-crystallizing 1 with oxalic, malonic, succinic, fumaric, acetylene dicarboxylic, glutaric, thiodiglycolic, diglycolic, and adipic acids have been found to give two types of host-guest assemblies that have voids or channels in a three-dimensional arrangement. The different types of host-guest arrangement appear to result from differences in the acidity of the dicarboxylic acids, that is, acids with pK(a) \< 3.0 give host networks that consist of 1 and the corresponding acid with water or solvent molecules of crystallization present as guests, whereas acids with pK(a) \> 3.0 exist as guests in voids in a host network formed by 1. The former arrangement is observed in adducts 1a, 1b, 1c, and 1h and the latter arrangement is found in adducts 1c, 1d, 1f, 1g and 1i.

}, keywords = {dicarboxylic acids, host-guest systems, hydrogen bonds, molecular recognition, supramolecular chemistry}, issn = {0947-6539}, doi = {10.1002/chem.200800649}, author = {Delori, Amit and Suresh, Eringathodi and Pedireddi, V. R.} } @article { ISI:000261995800008, title = {Potential plasmid-curing agent, 8-epidiosbulbin E acetate, from dioscorea bulbifera L. against multidrug-resistant bacteria}, journal = {International Journal of Antimicrobial Agents}, volume = {32}, number = {5}, year = {2008}, month = {NOV}, pages = {405-410}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Bioassay-guided fractionation of an aqueous methanolic extract of Dioscorea bulbifera L. bulbs was performed using organic solvents. A novel plasmid-curing compound was identified as 8-epidiosbulbin E acetate (EEA) (norditerpene) on the basis of modern spectroscopic analysis and X-ray crystallography. EEA exhibited broad-spectrum plasmid-curing activity against multidrug-resistant (MDR) bacteria, including vancomycin-resistant enterococci. EEA cured antibiotic resistance plasmids (R-plasmids) from clinical isolates of Enterococcus faecalis, Escherichia coli, Shigella sonnei and Pseudomonas aeruginosa with 12-48\% curing efficiency. The reference plasmids of Bacillus subtilis (pUB110), E. coli (RP4), P. aeruginosa (RIP64) and Salmonella typhi (R136) were cured with efficiency ranging from 16\% to 64\%. EEA-mediated R-plasmid curing decreased the minimal inhibitory concentration of antibiotics against MDR bacteria, thus making antibiotic treatment more effective. The antibiotic resistance pattern revealed that the compound was effective in the reversal of bacterial resistance to various antibiotics. In addition, the compound did not show any cytotoxicity against a broad range of human cancer cell lines, namely MCF-7 (breast cancer), SiHa (cervical cancer) and A431 (epidermal carcinoma), and hence has the potential to be used as a lead compound for drug discovery programmes. (C) 2008 Elsevier B. V. and the International Society of Chemotherapy. All rights reserved.

}, keywords = {8-Epidiosbulbin E acetate, Antibiotic resistance, Dioscorea bulbifera, Plasmid curing}, issn = {0924-8579}, doi = {10.1016/j.ijantimicag.2008.05.013}, author = {Shriram, Varsha and Jahagirdar, Sheetal S. and Latha, C. and Kumar, Vinay and Puranik, Vedavati G. and Rojatkar, Supada and Dhakephalkar, Prashant K. and Shitole, M. G.} } @article { ISI:000259886100006, title = {Practical syntheses of 4-fluoroprolines}, journal = {Journal of Fluorine Chemistry}, volume = {129}, number = {9}, year = {2008}, month = {SEP}, pages = {781-784}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

4-Fluoroprolines are among the most useful nonnatural amino acids in chemical biology. Here, practical routes are reported for the synthesis of the 2S, 4R, 2S, 4S, and 2R,4S diastereomers of 4-fluoroproline. Each route starts with (2S,4R)-4-hydroxyproline, which is a prevalent component of collagen and hence readily available, and uses a fluoride salt to install the fluoro group. Hence, the routes provide process-scale access to these useful nonnatural amino acids. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {4-Fluoroproline, 4-Hydroxyproline, collagen, Nonnatural amino acid, Process-scale synthesis}, issn = {0022-1139}, doi = {10.1016/j.jfluchem.2008.06.024}, author = {Chorghade, Mukund S. and Mohapatra, Debendra K. and Sahoo, Gokarneswar and Gurjar, Mukund K. and Mandlecha, Manish V. and Bhoite, Nitin and Moghe, Santosh and Raines, Ronald T.} } @article { ISI:000254446000024, title = {Pre-organization-mediated macrocylization: efficient synthesis and structural investigations of BINOL-m-phenylenediamine-derived macrocycles}, journal = {Tetrahedron Letters}, volume = {49}, number = {13}, year = {2008}, month = {MAR}, pages = {2139-2142}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

This letter describes a serendipitous discovery of an efficient synthetic route to BINOL-m-phenylenediamine-derived macrocycles. These macrocycles are quickly accessible in an one-pot procedure by the direct condensation of (R) and (S) BINOL bis-acids with suitably substituted m-phenylenediamine analogs. Structural investigations by single crystal X-ray crystallography and solution-state NMR studies provided convincing evidence of their intramolecular hydrogen bonding arrangement and rigid structural architecture. The striking feature of these macrocycles is their ready accessibility in optically pure form coupled with their ease of synthesis. (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.01.116}, author = {Srinivas, Deekonda and Gonnade, Rajesh G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000251802900022, title = {Preparation and characterization of novel hybrid of chitosan-g-PDMS and sodium montmorrilonite}, journal = {Journal of Biomedical Materials Research Part B-Applied Biomaterials}, volume = {84}, number = {1}, year = {2008}, month = {JAN}, pages = {184-190}, publisher = {WILEY-LISS}, address = {DIV JOHN WILEY \& SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Preparation and properties of Chitosan (CS)-clay nanocomposites grafted with polydimethyl siloxane (PDMS) with different clay ratios are herein discussed. CS is intercalated into sodium montmorrilonite and PDMS is grafted onto CS under UV irradiation. Sample films of CS intercalated into clay and grafted with PDMS were prepared by solvent casting method with varying amount of nanoclay and PDMS. They were characterized by conventional techniques such as X-ray diffractometry, fourier transform infrared spectroscopy, C-13 NMR, thermo gravimetric analysis, and differential thermal analysis. Sorption behavior of samples has been followed by measuring swelling degree and issues on the interactions of biopolymers with clay are also discussed. The water absorption of composites films reduces with an increase in the amount of incorporated clay. This is due to the barrier formation in the form of cross-linking points, which prevents water permeation into CS. The amount of adsorbed water is more, when the amount of CS exceeds the amount of PDMS. This shows high water retention capacity of CS. (c) 2007 Wiley Periodicals, Inc.

}, keywords = {Chitosan, graft copolymerization, Nanocomposites, PDMS, water absorption}, issn = {1552-4973}, doi = {10.1002/jbm.b.30860}, author = {Depan, Dilip and Kumar, Bijandra and Singh, Raj Pal} } @article { ISI:000257815100074, title = {Preparation and electrochemical characterization of lithium cobalt oxide nanoparticles by modified sol-gel method}, journal = {Materials Research Bulletin}, volume = {43}, number = {8-9}, year = {2008}, month = {AUG}, pages = {2497-2503}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Uniformly distributed nanoparticles of LiCoO2 have been synthesized through the simple sol-gel method in presence of neutral surfactant (Tween-80). The powders were characterized by X-ray diffractometry, transmission electron microscopy and electrochemical method including charge-discharge cycling performance. The powder calcined at a temperature of 900 degrees C for 5 h shows pure phase layered LiCoO2. The results show that the particle size is reduced in presence of surfactant as compared to normal sol-gel method. Also, the sample prepared in presence of surfactant and calcined at 900 degrees C for 5 h shows the highest initial discharge capacity (106 mAh g(-1)) with good cycling stability as compared to the sample prepared without surfactant which shows the specific discharge capacity of 50 mAh g(-1). (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Electrochemical properties, intercalation reactions, Layered compounds, Sol-gel chemistry, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2007.08.033}, author = {Khomane, Ramdas B. and Agrawal, Amit C. and Kulkarni, B. D. and Gopukumar, S. and Sivashanmugam, A.} } @article { ISI:000262590700009, title = {Presence of a functional nitrate assimilation pathway in mycobacterium smegmatis}, journal = {Microbial Pathogenesis}, volume = {44}, number = {1}, year = {2008}, month = {JAN}, pages = {71-77}, publisher = {ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

Ability of Mycobacterium smegmatis to assimilate nitrate was evaluated in its active and dormant phase. Nitrate (10 mM), nitrite (0.5 mM) and ammonia (10 mM)allowed growth of M. smegmatis concomitant with their complete depletion from the culture in 144, 120 and 96 h, respectively, when used as sole nitrogen Source. Azide (50 mu M) stopped the growth of M. smegmatis when nitrate was used as sole nitrogen source. L-methionine-S-sulfoximine (L-MSO), which is a well-known inhibitor of glutamine synthetase, an enzyme also involved in nitrogen metabolic pathway, when applied at 10 mu g/ml concentration, completely inhibited the growth of the organism when nitrate or nitrite was used as sole nitrogen source. There was no effect of either azide or L-MSO at above concentrations on the growth of the organism when asparagine or ammonia was used as sole nitrogen source. More significantly, utilization of nitrate, nitrite and ammonia continued even in oxygen depletion induced dormant culture at the rates of 289, 25 and 354 mu M/day, respectively. These rates were 5-8 times slower than the rates of 1966, 127 and 2890 mu M/day, respectively, in active replicating phase. In the presence of azide (50 mu M) and L-MSO (10 mu g/ml), 2.1 and 1.51 logs reduction in viability of dormant M. smegmatis was observed using nitrate and nitrite, respectively, as sole nitrogen source. Altogether, the results indicated the presence of nitrate assimilation pathway operating in both active and dormant stage of M. smegmatis. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Dormant bacilli, Glutamine synthetase, L-methionine-S-sulfoximine, Mycobacterium smegmatis, Nitrate assimilation}, issn = {0882-4010}, doi = {10.1016/j.micpath.2007.08.006}, author = {Khan, Arshad and Akhtar, Shamim and Ahmad, Jawid N. and Sarkar, Dhiman} } @article { ISI:000255803800012, title = {Production and single step purification of cyclodextrin glycosyltransferase from alkalophilic bacillus firmus by ion exchange chromatography}, journal = {Biochemical Engineering Journal}, volume = {39}, number = {3}, year = {2008}, month = {MAY}, pages = {510-515}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Production and purification of starch digesting cyclodextrin glycosyl transferase (CGTase) from alkalophilic Bacillus firmus was investigated. Fermentation was carried out in 141 bioreactor at 28 degrees C using a medium containing dextrin, yeast extract, peptone, (NH4)H2PO4 and MgSO4.7H(2)O. The extracellular enzyme was concentrated by tangential flow ultrafiltration. The concentrated enzyme was chromatographed using DEAE-sepharose and phenyl sepharose. DEAE-sepharose could be used to purify CGTase in a single step with 23.1 fold purification and 80.6\% recovery. The enzyme obtained had homogeneity and the molecular weight was 76 kDa confirmed by SDS-PAGE. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {alkalophilic, Bacillus firmus, CGTase, cyclodextrin, Purification}, issn = {1369-703X}, doi = {10.1016/j.bej.2007.09.020}, author = {Savergave, Laman S. and Mule, Santosh S. and Jogdand, Vitthal V. and Nene, Sanjay N. and Gadre, Ramchandra V.} } @article { ISI:000257694300013, title = {Rapid extraction and separation of indium(III) with a high molecular weight amine}, journal = {Indian Journal of Chemical Technology}, volume = {15}, number = {3}, year = {2008}, month = {MAY}, pages = {291-297}, publisher = {NATL INST SCIENCE COMMUNICATION}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

The liquid-liquid extraction of indium(III) from sodium succinate media using n-octylaniline in toluene as an extractant was studied. Quantitative extraction of indium(III) was observed in the range of 0.004-0.0075 M sodium succinate at pH 3.8-6.0 with 4\% n-octylaniline in toluene. Indium(III) was completely stripped from the metal loaded organic phase of the extractant with water and determined complexometrically. The stoichiometry of the extracted species was determined on the basis of;slope analysis. The extraction was found to proceed by a ion-pair mechanism with the extracted species being [RNH3+In(succinate)(2)(-)](org). Separation of indium(III) was carried out from some associated metals like Tl(I), Mg(II), Ni(II), Cu(II), Zn(II),. Cd(II), Hg(II), Pb(II), GC(IV), Sb(III), Bi(III). The selectivity of the extraction of indium(III) can also be achieved by use of a suitable masking agent for estimation and determination from the synthetic mixture corresponding to alloy to show the practical utility of the extractant.

}, keywords = {Indium(III), n-octylaniline, Separation, solvent extraction, succinate}, issn = {0971-457X}, author = {Shilmkar, T. N. and Kolekar, S. S. and Wadgaonkar, P. P. and Anuse, Mansing A.} } @article { ISI:000253767100014, title = {Rapid phase-controlled microwave synthesis of nanostructured hierarchical tetragonal and cubic beta-In2S3 dandelion flowers}, journal = {Chemical Physics Letters}, volume = {452}, number = {4-6}, year = {2008}, month = {FEB}, pages = {301-305}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Phase controlled synthesis of hierarchical nanostructured beta-In2S3 dandelion flowers is realized by a rapid microwave solvothermal process using indium metal, nitric acid and thiourea as precursors. The tetragonal and cubic phases of the compound have been successfully and separately stabilized in the same type of dandelion morphology by using aqueous-mediated and methanol-mediated synthesis, respectively. The possible mechanism responsible for phase control is discussed. Optical properties of the flowers as well as their hydrogen generation capability by photodecomposition of H2S under visible light are also reported. (c) 2007 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2007.12.048}, author = {Naik, S. D. and Jagadale, Tushar C. and Apte, S. K. and Sonawane, S. and Kulkarni, M. V. and Patil, S. I. and Ogale, Satishchandra B. and Kale, B. B.} } @article { ISI:000253366100001, title = {Rare earth metal triflates promoted diels-alder reactions in ionic liquids}, journal = {Applied Catalysis A-General}, volume = {335}, number = {1}, year = {2008}, month = {FEB}, pages = {1-6}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Rare earth metal triflates, when used with ionic liquids can promote Diels-Alder reactions carried out with different dienes and dienophiles suggesting an enhancement in the catalytic power of the triflates in ionic liquids. It is possible to recover and reuse the ionic liquid phase with triflates to give comparable yields and stereoselectivities even after six cycles. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Diels-Alder reactions, ionic liquids, rare earth metal triflates}, issn = {0926-860X}, doi = {10.1016/j.apcata.2007.10.026}, author = {Sarma, Diganta and Kumar, Anil} } @article { ISI:000255774700006, title = {Rigid bicyclo[3.3.0]octane (octahydropentalene): a heavily constrained novel aliphatic template for molecular self-assembly}, journal = {Tetrahedron Letters}, volume = {49}, number = {19}, year = {2008}, month = {MAY}, pages = {3056-3059}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

This Letter reports the utility of a heavily constrained cis-fused bicyclo[3.3.0]octane (octahydropentalene) aliphatic template for effecting molecular self-assembly. An attractive feature of this system is its heavily constrained alicyclic backbone that would allow for the exploration of self-assembling systems with conformationally ordered features. (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.03.062}, author = {Kendhale, Amol M. and Gonnade, Rajesh G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000256178900015, title = {Selective cis-dihydroxylation of olefins using recyclable homogeneous molybdenum acetylide catalyst}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {285}, number = {1-2}, year = {2008}, month = {APR}, pages = {111-119}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Selective cis-dihydroxylation of various olefins has been carried out using molybdenum acetylide complex CpMO(CO)(3)(C CPh) (1) as catalyst and hydrogen peroxide as an efficient and environmentally benign oxidant. In case of cyclohexene, very high conversion (95\%) and selectivity (86\%) for cis-dihydroxylated product has been achieved using H2O2 as an oxidant and t-butanol as a solvent. cis-Dihydroxylation of other substrates like styrene, a-methyl styrene, limonene and cyclopentene has also been carried out with very high selectivity for diol. The catalyst and intermediate species have been characterized using FT-IR, UV-vis spectral analysis and XPS studies as well as cyclic voltametric studies. These studies suggest that molybdenum oxo-peroxo complex is the catalytically active species. The intermediate blue complex when characterized by ESI MS suggested the formation of dimeric molybdenum complex and XPS and cyclic voltametric studies confirm the presence of mixed valence Mo(V) and Mo(VI) in the reaction intermediate. Based on the characterization results possible mechanism for dihydroxylation is proposed. Interestingly, even though the catalyst is homogeneous; it could be recovered quantitatively by extraction in aqueous phase and recycled five times without any appreciable loss in cyclohexene conversion and selectivity for cis-1,2-cyclohexanediol. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {acetylide complex, cis-dihydroxylation, Homogeneous catalysis, Hydrogen peroxide, recyclable}, issn = {1381-1169}, doi = {10.1016/j.molcata.2008.01.034}, author = {Biradar, Ankush V. and Sathe, Bhaskar R. and Shubhangi B. Umbarkar and Dongare, Mohan K.} } @article { ISI:000252563300006, title = {Selective oxidation of ethane over Mo-V-Al-O oxide catalysts: insight to the factors affecting the selectivity of ethylene and acetic acid and structure-activity correlation studies}, journal = {Catalysis Letters}, volume = {121}, number = {1-2}, year = {2008}, month = {FEB}, pages = {39-51}, publisher = {SPRINGER}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

Catalysts of general formula, MoVAlOx were prepared with the initial elemental composition of 1:0.34:0.167 (Mo:V:Al) at a pH value in the range of 1-4. The elemental analysis showed that the final composition of the catalysts is pH dependant. The performance of the catalysts was tested for selective oxidation of ethane to give ethylene and acetic acid. While all of them were active for ethane oxidation with a moderate conversion, the catalyst prepared at pH 2 showed a highest activity with 23\% ethane conversion and a combined selectivity of 80.6\% to ethylene and acetic acid. The catalyst prepared at pH 4 was least selective to ethylene and acetic acid. Various techniques like powder XRD, SEM, Raman, UV-Vis and EPR were used to characterize the catalysts and to identify the active phases responsible for the selective oxidation of ethane. The powder XRD data showed that the catalysts prepared at pH 1 and 2 contain mainly of MoO3 and MoV2O8 along with traces of Mo4O11. The amount of MoO3 was slightly higher in the catalyst prepared at pH 1. However, the catalyst prepared at pH 3 contains mainly of MoV2O8 with no trace of MoO3. The catalyst prepared at pH 4 showed V2O5 as the major phase along with MoVAlO4 phase. The Raman data corroborated the XRD results. EPR and UV-Vis studies indicated the presence of traces of V-4 in pH 1 and 2 catalysts and significant amount of Mo5+ in all the catalysts. Thus, the high activity and selectivity to ethylene and acetic acid are attributed to the presence of MoV2O8 phase and other reduced species like Mo4O11 phase supported on MoO3. The presence of V and Mo ions in a partially reduced form seems to play a crucial role in the selective oxidation of ethane.

}, keywords = {Acetic acid, ethane, Ethylene, mixed metal oxide, Selective oxidation}, issn = {1011-372X}, doi = {10.1007/s10562-007-9289-0}, author = {Sankaranarayanan, T. M. and Ingle, Rohit H. and Gaikwad, T. B. and Lokhande, S. K. and Raja, T. and Devi, R. N. and Ramaswamy, V. and Manikandan, Palanichamy} } @article { ISI:000260587200010, title = {Self-diffusion coefficient of ring polymers in semidilute solution}, journal = {Journal of Polymer Science Part B-Polymer Physics}, volume = {46}, number = {21}, year = {2008}, month = {NOV}, pages = {2370-2379}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

In a topologically constraining environment the size of a flexible nonconcatenated ring polymer (macrocycles) and its dynamics are known to differ from that of linear polymers. Hence, the diffusion coefficient of ring polymers can be expected to be different from linear chains. We present here scaling arguments for the concentration and molecular weight dependence of self-diffusion coefficient of ring polymers in semidilute solutions, and show that contrary to expectations these scaling relations are identical to what is known for linear polymers. At higher concentrations excluded volume interactions arising from possibilities of segmental overlap can become effective for large ring polymers. In this regime the diffusion coefficient of large ring polymers shows a relatively weaker dependence on concentration and molecular weight. (C) 2008 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 46: 2370-2379, 2008

}, keywords = {Diffusion, Macrocycles, Monte Carlo simulation}, issn = {0887-6266}, doi = {10.1002/polb.21569}, author = {Iyer, Balaj V. S. and Shanbhag, Sachin and Juvekar, Vinay A. and Lele, Ashish K.} } @article { ISI:000263320900032, title = {Sequence-specific unusual (1 -> 2)-type helical turns in alpha/beta-hybrid peptides}, journal = {Journal of the American Chemical Society}, volume = {130}, number = {52}, year = {2008}, month = {DEC}, pages = {17743-17754}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

This article describes novel conformationally ordered (alpha/beta-hybrid peptides consisting of repeating L-proline-anthranilic acid building blocks. These oligomers adopt a compact, right-handed helical architecture determined by the intrinsic conformational preferences of the individual amino acid residues. The striking feature of these oligomers is their ability to display an unusual periodic pseudo beta-turn network of nine-membered hydrogen-bonded rings formed in the forward direction of the sequence by 1{\textendash}\>2 amino acid interactions both in solid-state and in solution. Conformational investigations of several of these oligomers by single-crystal X-ray diffraction, solution-state NMR, and ab initio MO theory suggest that the characteristic steric and dihedral angle restraints exerted by proline are essential for stabilizing the unusual pseudo beta-turn network found in these oligomers. Replacing proline by the conformationally flexible analogue alanine (Ala) or by the conformationally more constrained alpha-amino isobutyric acid (Aib) had an adverse effect on the stabilization of this structural architecture. These findings increase the potential to design novel secondary structure elements profiting from the steric and dihedral angle constraints of the amino acid constituents and help to augment the conformational space available for synthetic oligomer design with diverse backbone structures.

}, issn = {0002-7863}, doi = {10.1021/ja804297f}, author = {Prabhakaran, Panchami and Kale, Sangram S. and Puranik, Vedavati G. and Rajamohanan, P. R. and Chetina, Olga and Howard, Judith A. K. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000261745700001, title = {Shape-dependent electrocatalytic activity of platinum nanostructures}, journal = {Journal of Materials Chemistry}, volume = {18}, number = {48}, year = {2008}, month = {SEP}, pages = {5858-5870}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Since many metallic nanostructures with different shapes exhibit unique chemical and physical properties, a systematic attempt to synthesize these shape-controlled structures for property-shape correlation remains an important challenge in contemporary materials chemistry. Main difficulties like poor shape selectivity, low yield, presence of impurity phases, difficulty of separation, etc., are exacerbated since metallic structures have high surface energies which favour lower surface areas, and consequently many synthesis strategies, including the use of hard and soft templates and external nucleating agents, are being employed along with theoretical guidelines from density functional calculations on simpler systems. One of the important application areas where these structures have gained profound attention is in electrocatalysis, where the kinetics of many structure-sensitive reactions of technological relevance have been experimentally observed to show drastic changes with shape especially in the nanosize domain, at least in one dimension. Considering their scientific and technological importance, this feature article provides an overview of the recent progress on the shape-controlled synthesis of metallic nanostructures with special emphasis on platinum, and their crucial role in the electrocatalysis of anodic reactions for polymer electrolyte fuel cells.

}, issn = {0959-9428}, doi = {10.1039/b811149a}, author = {Subhramannia, Mahima and Pillai, Vijayamohanan K.} } @article { ISI:000252757100013, title = {Sheet-forming abiotic hetero foldamers}, journal = {Chemical Communications}, number = {6}, year = {2008}, month = {DEC}, pages = {712-714}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Abiotic hetero oligomers, adopting a well-defined extended self-assembled sheet-like structure, derived from conformationally constrained aliphatic and aromatic amino acid residues repeating at regular intervals are reported.

}, issn = {1359-7345}, doi = {10.1039/b713229h}, author = {Baruah, Pranjal K. and Sreedevi, Naduthottiyil K. and Majumdar, Baisakhi and Pasricha, Renu and Poddar, Pankaj and Gonnade, Rajesh G. and Ravindranathan, Sapna and Sanjayan, Gangadhar J.} } @article { ISI:000260843500013, title = {Short enantioselective synthesis of (-)-bestatin via L-proline-catalyzed alpha-amination of an aldehyde}, journal = {Tetrahedron Letters}, volume = {49}, number = {48}, year = {2008}, month = {NOV}, pages = {6791-6793}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and high yielding enantioselective synthesis of (-)-bestatin, a naturally occurring aminopeptidase inhibitor, is described Via L-proline-catalyzed asymmetric alpha-amination of 3-phenylpropionaldehyde as the key reaction. The methodology also involves a Pd-catalyzed intramolecular cyclization of an allylic acetate giving a trans-oxazoline in a highly diastereoselective manner (dr \> 14:1). (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.09.054}, author = {George, Shyla and Suryavanshi, Gurunath S. and Sudalai, Arumugam} } @article { ISI:000259537800008, title = {Short enantioselective synthesis of (+)-L-733,060 via Shi epoxidation of a homoallylic carboxylate}, journal = {Tetrahedron Letters}, volume = {49}, number = {40}, year = {2008}, month = {SEP}, pages = {5736-5738}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and efficient enantioselective synthesis of (+)-L-733,060 in 92\% ee via Shi epoxidation of a homoallylic carboxylate is described. Johnson-Claisen rearrangement was employed to obtain the required carbon backbone, whilst intramolecular reductive O-to-N-ring expansion of a delta-azidolactone was used in the construction of the piperidine moiety. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2-aminoalcohols, 3, 3-sigmatropic rearrangement, asymmetric epoxidation, Lactone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.07.086}, author = {Emmanuvel, Lourdusamy and Sudalai, Arumugam} } @article { ISI:000257349100007, title = {Silicate nanoparticles by bioleaching of glass and modification of the glass surface}, journal = {Journal of Non-Crystalline Solids}, volume = {354}, number = {29}, year = {2008}, month = {JUL}, pages = {3433-3437}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Bioleaching is examined as a low temperature (50 degrees C) soft chemical approach to nanosynthesis and surface processing. We demonstrate that fungus based bioleaching of borosilicate glass enables synthesis of nearly monodispersed ultrafine (similar to 5 +/- 0.5 nm) silicate nanoparticles. Using various techniques such as X-ray diffraction, X-ray photoelectron spectroscopy and FTIR we compare the constitution and composition of the nanoparticles with that of the parent glass, and establish the basic similarities between the two. The bioleaching process is shown to enhance the non-bridging oxygen component and correspondingly influence the Si-O-Si network. The root mean square roughness of glass surface is seen to increase from 1.27 nm for bare glass to 2.52 nm for 15 h fungal processed case, this increase being equivalent to that for glass annealed at 500 degrees C. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Bioglass, Biomaterials, borosilicates, narroparticles}, issn = {0022-3093}, doi = {10.1016/j.jnoncrysol.2008.03.025}, author = {Kulkarni, Sneha and Syed, Asad and Singh, Sanjay and Gaikwad, Anil and Patil, Kashinath and Vijayamohanan, K. and Ahmad, Absar and Ogale, Satishchandra} } @article { ISI:000254948900017, title = {Simple and efficient one-pot, three-component, solvent-free synthesis of beta-enaminones via sonogashira coupling-Michael addition sequences}, journal = {Synthetic Communications}, volume = {38}, number = {9}, year = {2008}, month = {APR}, pages = {1456-1469}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A simple, efficient, and environmentally friendly one-pot, three-component synthesis of beta-enaminones via Sonogashira coupling-Michael addition sequences under solvent-free conditions has been reported. Also the synthesis of beta-enaminones has been achieved in high yields by the direct reaction of amines with ynones under solvent-free conditions.

}, keywords = {Alkynes, beta-enaminones, coupling, Michael additions, solvent free, ynones}, issn = {0039-7911}, doi = {10.1080/00397910801914343}, author = {Palimkar, Sanjay S. and More, Vijaykumar S. and Srinivasan, Kumar V.} } @article { ISI:000255300600009, title = {Simple whole cell based high throughput screening protocol using Mycobacterium bovis BCG for inhibitors against dormant and active tubercle bacilli}, journal = {Journal of Microbiological Methods}, volume = {73}, number = {1}, year = {2008}, month = {APR}, pages = {62-68}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This study aimed at developing a whole cell based high throughput screening protocol to identify inhibitors against both active and dormant tubercle bacilli. A respiratory type of nitrate reductase (NarGHJI), which was induced during dormancy, could reflect the viability of dormant bacilli of Mycobacterium bovis BCG in microplate adopted model of in vitro dormancy. Correlation between reduction in viability and nitrate reductase activity was seen clearly when dormant stage inhibitor metronidazole and itaconic anhydride were applied in this in vitro microplate model. Active replicating stage could also be monitored in the same assay by measuring the A(620) of the culture. MIC values of 0.08, 0.075, 0.3 and 3.0 mu g/ml, determined through monitoring A(620) in this assay for rifampin, isoniazid, streptomycin and ethambutol respectively, were well in agreement with previously reported by BACTEC and Bio-Siv assays. S/N ratio and Z{\textquoteright} factor for the assay were 8.5 and 0.81 respectively which indicated the robustness of the protocol. Altogether the assay provides an easy, inexpensive, rapid, robust and high content screening too] to search novel antitubercular molecules against both active and dormant bacilli. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {high throughput screening, tuberculosis, Wayne{\textquoteright}s dormancy model, whole cell based assay}, issn = {0167-7012}, doi = {10.1016/j.mimet.2008.01.015}, author = {Khan, Arshad and Sarkar, Dhiman} } @article { ISI:000259342400009, title = {Size dependent coordination behavior and cation distribution in MgAl2O4 nanoparticles from Al-27 solid state NMR studies}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {38}, year = {2008}, month = {SEP}, pages = {14737-14744}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nanoparticles of spinel-type oxides such as ferrites offer great advantages and applications in many important areas. Decreasing the size of the particles to nanometer size will increase the surface-to-volume ratio and this will strongly influence the physical and chemical properties of these materials. For magnetic nanoparticles, the exchange interactions at the surface of a particle will be different from those inside due to changes in the coordination behavior at the surface. Therefore, studying and understanding the coordination and distribution behavior of the different metal ions in the nanoparticles of spinel-type oxides is very important. Solid state NMR is a useful and important technique to obtain information on local structural variations. The degree of the distribution of the Al3+ ions in the tetrahedral and octahedral sites in the nanoparticles of the nonmagnetic spinet MgAl2O4 having different particle sizes has been determined by Al-27 magic-angle spinning (MAS) NMR spectroscopy. It has been observed that the inversion parameter decreases with increasing particle size. Apart from the usual tetrahedral and octahedral coordinations present in the bulk material, the presence of five- and three-coordinated At has been observed in nanoparticles with sizes less than 18 nm and a second octahedral coordination is observed for nanoparticles of larger sizes.

}, issn = {1932-7447}, doi = {10.1021/jp800412k}, author = {Sreeja, V. and Smitha, T. S. and Nand, Deepak and Ajithkumar, Thalasseril G. and Joy, Pattayil Alias} } @article { ISI:000253339800027, title = {Sn-119 magic angle spinning NMR of nanocrystalline SnO2}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {1}, year = {2008}, month = {JAN}, pages = {321-328}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Nanocrystalline SnO2 samples of different grain sizes, prepared by inert gas condensation technique (IGCT) and chemical precipitation method and conforming to the tetragonal phase, have been studied by variable speed (3-10 kHz) Sn-119 MAS NMR at 11.74 Tesla field. Sn-119 solid-state NMR results show that the IGCT prepared samples have good crystallinity and phase purity compared to the samples prepared by the chemical method. The determination of Sn-119 chemical shielding parameters (delta(iso), Delta delta and eta) from slow MAS spectra shows that the Sn-119 isotropic chemical shift (delta(iso)) is strongly influenced at smaller grain sizes, attributable to the change in the O2- local symmetry for the surface Sn-119 ions at smaller grain sizes. The observed line widths in MAS spectra are significantly larger than the life-time broadening due to spin-lattice (T-1) and spin-spin (T,) relaxation. The Sn-119 MAS NMR spectra are thus inhomogeneously broadened by a distribution of isotropic chemical shifts, the line broadening increasing with decrease in grain size.

}, keywords = {Hydrolysis, IGCT, MAS NMR, nanocrystalline SnO2}, issn = {1533-4880}, doi = {10.1166/jnn.2008.015}, author = {Sabarinathan, V. and Chandran, C. Vinod and Ramasamy, S. and Ganapathy, Subramanian} } @article { ISI:000260776800046, title = {Static and dynamic magnetic properties of Co nanoparticles}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {8}, year = {2008}, note = {International Conference on Advanced Nano-Materials, Indian Inst Technol, Phys Dept, Bombay, INDIA, JAN 08-10, 2007}, month = {AUG}, pages = {4086-4091}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Co nanoparticles have been synthesized using wet-chemical methods. As-synthesized particles show a sharp low temperature peak in zero-field cooled (ZFC) magnetization well below the blocking transition temperature and this feature is associated with surface spin disorder. We have investigated the dynamic magnetic properties of Co using ac susceptibility and resonant RF transverse susceptibility (TS). We also studied the memory and relaxation effects in these nanoparticle systems. From these measurements we show a typical blocking behavior of an assembly of superparamagnetic nanoparticles with a wide distribution of blocking temperatures. The transverse susceptibility measurements on these particles show the presence of anisotropy even above the blocking temperature. The role of surface anisotropy and the size distribution of the particles on the observed memory and magnetic relaxation effects are discussed.

}, keywords = {Ac Susceptibility, Co Nanoparticles, Magnetic relaxation, Transverse Susceptibility}, issn = {1533-4880}, doi = {10.1166/jnn.2008.AN06}, author = {Srinath, S. and Poddar, P. and Sidhaye, Deepti S. and Bhagavatula L. V. Prasad and Gass, James and Srikanth, H.} } @article { ISI:000253896400027, title = {Steady state and time-resolved fluorescence studies of a hemagglutinin from Moringa oleifera}, journal = {Journal of Fluorescence}, volume = {18}, number = {2}, year = {2008}, month = {MAR}, pages = {479-485}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The saccharide binding and conformational characterization of a hemagglutinin, a low molecular weight protein from the seeds of Moringa oleifera was studied using steady state and time resolved fluorescence. The lectin binds sugars LacNAc (K-a = 1380 M-1) and fructose (K-a = 975 M-1), as determined by the fluorescence spectroscopy. It has a single tryptophan per monomer which is exposed on the surface and is in a strong electropositive environment as revealed by quenching with iodide. Quenching of the fluorescence by acrylamide involved both static (K-s = 0.216 M-1) and collisional (K-sv= 8.19 M-1) components. The native protein showed two different lifetimes, tau(1) (1.6 ns) and tau(2) (4.36 ns) which decrease and get converted into a single one, (2.21 ns) after quenching with 0.15 M acrylamide. The bimolecular quenching constant, k(q) was 7.55 x 10(11) M-1 s(-1). ANS binding studies showed that the native protein has exposed hydrophobic patches which get further exposed at extreme acidic or alkaline pH. However, they get buried in the interior of the protein in presence of 1 M GdnHCl or urea.

}, keywords = {ANS binding, fluorescence, Hemagglutinin, lifetime, Moringa oleifera, saccharide binding, Solute quenching}, issn = {1053-0509}, doi = {10.1007/s10895-007-0289-7}, author = {Katre, Uma V. and Suresh, C. G. and Khan, Mohammad Islam and Gaikwad, Sushama M.} } @article { ISI:000263106900028, title = {Stereoselective synthesis of (S)-dapoxetine starting from trans-cinnamyl alcohol}, journal = {Arkivoc}, year = {2008}, month = {JAN}, pages = {302-310}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

A novel stereoselective synthesis of (S)-dapoxetine starting from commercially available trans-cinnamyl alcohol is described. Sharpless Asymmetric Epoxidation (SAE) is utilized as the key step in this synthetic strategy.

}, keywords = {(S)-dapoxetine, antidepressant, Sharpless asymmetric epoxidation, stereoselective synthesis}, issn = {1424-6376}, author = {Venkatesan, K. and Srinivasan, K. V.} } @article { ISI:000261133600023, title = {Structural features of Penicillin acylase adsorption on APTES functionalized SBA-15}, journal = {Microporous and Mesoporous Materials}, volume = {116}, number = {1-3}, year = {2008}, month = {DEC}, pages = {157-165}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The immobilization of Penicillin acylase (PGA) enzyme (which belongs to the Ntn hydrolase super family) into the amino-functionalized SBA-15 mesoporous molecular sieve is carried out to see the effect of silica as a host matrix on the enzyme kinetics. Physicochemical characterization by nitrogen adsorption, powder XRD and TEM methods indicate that the characteristic hexagonal features and the original pore structure of the parent SBA-15 is retained even after the incorporation of PGA. The adsorption of PGA on SBA15 shows a dependence on the pore volume and the composition of the adsorbent. The maximum loading of the enzyme was observed at pH 7.8, slightly below the isoelectric point of the enzyme. The loading capacity of immobilized PGA is 34 mg protein per 0.5 g of SBA-15. The trapped enzyme is more stable than the soluble form to temperature and pH environments and retained 73\% of its activity after immobilization. This enhanced stability is attributed to the protective nature of the cage itself and to the rigidity of the SiO(2) matrix, which reduces the freedom of peptide-chain refolding of molecular motions that occur in denaturation processes. The strength of binding is very strong; however, the activity of the immobilized enzyme is then simply restored with very little leakage of enzyme from the support. An important feature of the immobilized PGA enzyme is the excellent reusability without significant loss in activity, which indicates potentially exciting industrial/biomedical application of this support. (C) 2008 Elsevier Inc. All rights reserved.

}, keywords = {Penicillin G acylase, PGA immobilized SBA-15, pH and temperatures stability, SBA-15}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2008.03.030}, author = {Shah, Pallavi and Sridevi, N. and Prabhune, Asmita and Ramaswamy, Veda} } @article { ISI:000260776800015, title = {Structure and microbial synthesis of sub-10 nm Bi2O3 nanocrystals}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {8}, number = {8}, year = {2008}, month = {AUG}, pages = {3909-3913}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

After the advent of novel chemical and microbial techniques, providing control over grain size and shape of the nanomaterials, several binary-oxide materials have been explored in size less than 10 nm for their tunable physical properties. Bi2O3 nanoparticles have also redrawn attention due to their excellent properties, mostly as optoelectronic material. Here, we report the room-temperature biosynthesis of Bi2O3 nanoparticles in a size range of 5-8 nm by extra-cellularly challenging the plant pathogenic fungus-Fusarium oxysporum with the bismuth nitrate as precursor. The as-synthesized particle-surfaces are inherently functionalized by a robust layer of proteins which provides them very good stability in the aqueous medium. Structural investigation using selected area electron diffraction, high resolution transmission electron microscopy and powder XRD shows that particles are almost perfectly single crystalline and primarily crystallize in alpha-phase with monoclinic structure.

}, keywords = {Biosynthesis, fungi, High Refractive Index, High Resolution TEM, Nanoparticles}, issn = {1533-4880}, doi = {10.1166/jnn.2008.179}, author = {Uddin, Imran and Adyanthaya, Suguna D. and Syed, Asad and Selvaraj, K. and Ahmad, Absar and Poddar, Pankaj} } @article { ISI:000253563900018, title = {Structure-activity relationship of a hemagglutinin from Moringa oleifera seeds}, journal = {International Journal of Biological Macromolecules}, volume = {42}, number = {2}, year = {2008}, month = {MAR}, pages = {203-207}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The hemagglutinin from the seeds of Moringa oleifera (MoL) agglutinates human as well as rabbit erythrocytes; the affinity for the latter is almost 250 times more than that for the former. MoL was inhibited by glycoproteins namely thyroglobulin, fetuin and holotransferin indicating the complex sugar specificity of the lectin. The protein is a homodimer with molecular mass of 14 kDa, subunits (7.1 kDa) linked by the disulfide bond(s). The secondary structure elements of MoL area-helix, 28\%; beta-sheet, 23\%; turn 20\% and unordered 28\%. While the activity and secondary structure were not affected at extreme pH and high temperature, they were drastically affected in presence of dithiothreitol at and above pH 7.0, indicating that disulfide linkages hold the active conformation of the protein. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {disulfide linkages, Moringa oleifera hemagglutinin, Secondary structure}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2007.10.024}, author = {Katre, Uma V. and Suresh, C. G. and Khan, Mohammad Islam and Gaikwad, Sushama M.} } @article { ISI:000256004800004, title = {Studies on the synthesis and unusual behavior of vinyl sulfone-modified hexenopyranosylthymines}, journal = {Carbohydrate Research}, volume = {343}, number = {7}, year = {2008}, month = {MAY}, pages = {1163-1170}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Although vinyl sulfone-modified- (VSM) pent-2-enofuranosyl nucleosides 2 and hex-2-enopyranosyl glycoside 4 are easily synthesized from the corresponding mesylated sulfones le and 3c, respectively, via an oxidation-mesylation-elimination route, the 3{\textquoteright}-C-sulfonyl-hex-2{\textquoteright}-enopyranosylthymine 11 is not obtained from 10 and a glycal derivative 12 is formed instead. On the other hand, 3-C-sulfonyl-hex-3{\textquoteright}-enopyranosylthymine 20 is easily synthesized from the mesylated sulfone 19. Again unlike the reaction patterns of VSM-pent-T-enofuranosyl nucleosides 2 and hex-2-enopyranosyl glycosides 4 as Michael acceptors, the reactions of nucleophiles with 3{\textquoteright}-C-sulfonyl-hex-3{\textquoteright}-enopyranosylthymine 20 yielded a rearranged product 21 instead of Michael adducts. (c) 2008 Published by Elsevier Ltd.

}, keywords = {glycal, hexopyranosyl nucleosides, Michael addition, unsaturated nucleosides, vinyl sulfone-modified nucleosides}, issn = {0008-6215}, doi = {10.1016/j.carres.2008.02.016}, author = {Deshpande, Sachin G. and Suresh, Cheravakkattu G. and Pathak, Tanmaya} } @article { ISI:000252926700002, title = {Study of papain-cystatin interaction by intensity fading MALDI-TOF-MS}, journal = {Protein Journal}, volume = {27}, number = {1}, year = {2008}, month = {JAN}, pages = {7-12}, publisher = {SPRINGER}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

Intensity fading (IF) matrix assisted laser desorption ionization (MALDI) time of flight (TOF) mass spectrometry (MS ) has become an alternative screening approach for the affinity-binding analysis of proteins and peptides with molecular ligands. In this investigation an attempt has been made to study the protein ligand interaction by intensity fading (IF) MALDI-MS using papain and cystatin as model system for protein-ligand interactions. The intensity fading of cystatin was monitored using various concentration of cystatin ranging from (1 to 8.6 mu M) in presence of target protein, papain. The results indeed indicate that the intensity of cystatin decreases upon addition of papain. Furthermore, for the first time we have used IF-MALDI-MS for determining the number of binding sites for cystatin on papain by Scatchard analysis.

}, keywords = {intensity fading, MALDI, papain-cystatin, protein-ligand interaction, Scatchard plot}, issn = {1572-3887}, doi = {10.1007/s10930-007-9102-3}, author = {Shabab, M. and Kulkarni, Mahesh J. and Khan, Mohammad Islam} } @article { ISI:000261546900021, title = {Suzuki cross-coupling and intramolecular aza-michael addition reaction sequence towards the synthesis of 1,10b-epi-7-deoxypancratistatins and their cytotoxicity studies}, journal = {European Journal of Organic Chemistry}, number = {34}, year = {2008}, month = {DEC}, pages = {5839-5847}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

The development of an efficient approach to the construction of a phenanthridone is described. The convergent strategy commences with the preparation of Suzuki cross-coupling reaction precursors, arylboronic acid 12 and a-iodo enone 14, from piperonylamine (9) and (-)-D-quinic acid (10), respectively. The coupling of 12 and 19 followed by a key intramolecular aza-Michael addition produced phenanthridone 21 featuring a cis-fused B-C ring junction. The syntheses of compounds 25 and 26, both of which are C-1 and C-10b epimers of the naturally occurring potent antitumor agent 7-deoxypancratistatin (2), from 21 are elaborated in detail in this paper. The cytotoxicities of 25 and 26 were evaluated against three different cancer cell lines. Compound 26 served as a moderate growth inhibitor of THP-1 monocytic cells (GI(50) = 14.5 mu g/mL). ((C) Wiley-VCH Verlag GmbH \& Co. KGaA, 69451 Weinheim, Germany, 2008)

}, keywords = {antitumor agents, Chiral pool, Cross-coupling, Intramolecular aza-Michael addition, Pancratistatin}, issn = {1434-193X}, doi = {10.1002/ejoc.200800830}, author = {Pandey, Ganesh and Balakrishnan, Madhesan and Swaroop, Pandrangi Siva} } @article { ISI:000254180300055, title = {Synthesis and antimicrobial activity of beta-lactam-bile acid conjugates linked via triazole}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {18}, number = {6}, year = {2008}, month = {MAR}, pages = {2043-2047}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Synthesis of novel 1,2,3-triazole-linked beta-lactam-bile acid conjugates 17-24 using 1,3-dipolar cycloaddition reaction of azido beta-lactam and terminal alkyne of bile acids in the presence of Cu( I) catalyst ( click chemistry) have been realized. These molecules were evaluated in vitro for their antifungal and antibacterial activities. Most of the compounds exhibited significant antifungal and moderate antibacterial activity against all the tested strains. (c) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.01.102}, author = {Vatmurge, Namdev S. and Hazra, Braja G. and Pore, Vandana S. and Shirazi, Fazal and Chavan, Pradnya S. and Deshpande, Mukund V.} } @article { ISI:000260429100023, title = {Synthesis and biological evaluation of bile acid dimers linked with 1,2,3-triazole and bis-beta-lactam}, journal = {Organic \& Biomolecular Chemistry}, volume = {6}, number = {20}, year = {2008}, month = {OCT}, pages = {3823-3830}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report herein the synthesis and biological evaluation of bile acid dimers 11-18 linked through 1,2,3-triazole and bis-beta-lactam. The dimers 11-18 were synthesized using 1,3-dipolar cycloaddition reaction of diazido bis-beta-lactams 3, 4 and terminal alkynes 7-10 derived from cholic acid/deoxycholic acid in the presence of Cu(I) catalyst (click chemistry). These novel molecules were evaluated in vitro for their antifungal and antibacterial activity. Most of the compounds exhibited significant antifungal as well as antibacterial activity against all the tested fungal and bacterial strains. Moreover, their in vitro cytotoxicities towards HEK-293 and MCF-7 cells were also established.

}, issn = {1477-0520}, doi = {10.1039/b809221d}, author = {Vatmurge, Namdev S. and Hazra, Braja G. and Pore, Vandana S. and Shirazi, Fazal and Deshpande, Mukund V. and Kadreppa, Sreenath and Chattopadhyay, Samit and Gonnade, Rajesh G.} } @article { ISI:000262183900001, title = {Synthesis and characterization of high surface area CeO2-doped SnO2 nanomaterial}, journal = {Materials Chemistry and Physics}, volume = {112}, number = {3}, year = {2008}, month = {DEC}, pages = {719-722}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

In the present investigation the synthesis and characterization of high surface area CeO2-doped SnO2 nanomaterial has been reported. The material was synthesized by coprecipitation process combined with surfactant incorporating method. The concentration level of Ce (III) additive was varied systematically from 1 to 11 wt.\%. After calcinations at500 degrees C,a high BET surface area of 40 m(2)/g was obtained for 7 wt.\% CeO2. The effect of variation of sintering temperature (600-800 degrees C/2h) on the particle size and surface area of a CeO2/SnO2 system was investigated. The material obtained was nanocrystalline, having particle size in the range of 10-16 nm. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {CeO2:SnO2, Nanomaterials, sensors}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2008.06.022}, author = {Gambhire, A. B. and Lande, Machhindra K. and Kalokhe, S. B. and Shirsat, M. D. and Patil, K. R. and Gholap, Ramkrishna S. and Arbad, B. R.} } @article { ISI:000254367800011, title = {Synthesis and corrosion protection study of poly(o-ethylaniline) coatings on copper}, journal = {Surface \& Coatings Technology}, volume = {202}, number = {12}, year = {2008}, month = {MAR}, pages = {2591-2602}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Poly(o-ethylaniline) coatings were synthesized on copper (Cu) by electrochemical polymerization of o-ethylaniline in an aqueous salicylate solution by using cyclic voltammetry. The characterization of these coatings was carried out by cyclic voltammetry, UV-visible absorption spectroscopy, Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM). The results of these characterizations indicate that the aqueous salicylate solution is a suitable medium for the electrochemical polymerization of o-ethylaniline to generate strongly adherent and smooth poly(o-ethylaniline) coatings on Cu substrates. The performance of poly(o-ethylaniline) as protective coating against corrosion of Cu in aqueous 3\% NaCl was assessed by the potentiodynamic polarization technique and electrochemical impedance spectroscopy (EIS). The results of these studies demonstrate that the poly(o-ethylaniline) coating has ability to protect the Cu against corrosion. The corrosion potential was about 0.078 V versus SCE more positive in aqueous 3\% NaCl for the poly(o-ethylanitine) coated Cu (similar to 15 mu m thick) than that of uncoated Cu and reduces the corrosion rate of Cu almost by a factor of 70. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {conducting polymers, Copper, Corrosion resistant coatings, cyclic voltammetry, Electrochemical polymerization, poly(o-ethylaniline) coatings}, issn = {0257-8972}, doi = {10.1016/j.surfcoat.2007.09.025}, author = {Shinde, Vandana and Gaikwad, A. B. and Patil, P. P.} } @article { ISI:000261329400004, title = {Synthesis, characterization and catalytic activity of Sn-SBA-15 mesoporous molecular sieves}, journal = {Catalysis Surveys from Asia}, volume = {12}, number = {4}, year = {2008}, month = {DEC}, pages = {283-309}, publisher = {SPRINGER/PLENUM PUBLISHERS}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Our recent reports on the synthesis of Sn-incorporated mesoporous SBA-15 materials have been reviewed. The preparation of the samples with different Si/Sn ratios followed two procedures, the first is the post-synthesis modification of SBA-15 by impregnation with Sn chloride or acetate, and the second is the direct method in which Sn chloride was introduced in to Si precursor along with amphiphilic triblock copolymer, while varying the ratio of the synthesis gel. Detailed characterization of the Sn-SBA-15 samples by a variety of techniques shows how the synthesis procedures influence the properties of the samples that reflect on the differences in (a) the structural features, (b) morphology and textural properties, such as the pore characteristics, (c) the possible location of Sn4+ ions in the meso silica structure and their reducibility, (d) the nature of the Sn species and their the coordination sphere and (e) the acid-base characteristics. We developed a possible model for the localization of Sn species in SBA-15 pore structure for different conditions of preparation. This report includes our investigations on the catalytic properties of these Sn-SBA-15 samples in 3 industrially important reactions, viz., trans-esterification of diethyl malonate, synthesis of nopol by Prins condensation of beta-pinene with para-formaldehyde and the epoxidation of norbornene. In each of this reaction, while demonstrating the catalytic role of Sn species, we show that the requirement of the type and the environment of Sn species are different for these reactions.

}, keywords = {mesoporous materials, Properties of Sn-SBA-15, Sn-containing SBA-15, Sn-SBA-15 catalysts, Synthesis of Sn-SBA-15}, issn = {1571-1013}, doi = {10.1007/s10563-008-9060-6}, author = {Ramaswamy, Veda and Shah, Pallavi and Lazar, Karoly and Ramaswamy, A. V.} } @article { ISI:000257619700016, title = {Synthesis of (3S,4R)-4-benzylamino-3-methoxypiperidine, an important intermediate for (3S,4R)-Cisapride}, journal = {Tetrahedron}, volume = {64}, number = {30-31}, year = {2008}, month = {JUL}, pages = {7191-7198}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of (3S,4R)-4-benzylamino-3-methoxypiperidine, an useful intermediate for the chiral synthesis of important drug molecule Cisapride and its analogs, from enantiopure 4-formylazetidin-2-one is described. Synthesis of trans as well as cis isomers of 4-amino-3-methoxypiperidine from 4-formylazetidin-2-one is also achieved in good yield. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {4-aminopiperidine, azetidin-2-ones, Cisapride, Staudinger reaction, stereoselective synthesis}, issn = {0040-4020}, doi = {10.1016/j.tet.2008.05.090}, author = {Shirode, Nilesh M. and Likhite, Anjali P. and Gumaste, Vikas K. and Deshmukh, Abdul Rakeeb A. S.} } @article { ISI:000254135200020, title = {Synthesis of amphiphilic poly(methyl methacrylate-b-ethylene oxide) copolymers from monohydroxy telechelic poly(methyl methacrylate) as macroinitiator}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {46}, number = {6}, year = {2008}, month = {MAR}, pages = {2132-2144}, publisher = {JOHN WILEY \& SONS INC}, type = {Article}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The synthesis of well-defined poly(methyl methacrylate)-block-poly(ethylene oxide) (PMMA-b-PEO) dibock copolymer through anionic polymerization using monohydroxy telechelic PMMA as macroinitiator is described. Living anionic polymerization of methyl methacrylate was performed using initiators derived from the adduct of diphenylethylene and a suitable alkyllithium, either of which contains a hydroxyl group protected with tert-butyldimethylsilyl moiety in tetrahydrofuran (THF) at -78 degrees C in the presence of LiClO4. The synthesized telechelic PMMAs had good control of molecular weight with narrow molecular weight distribution (MWD). The H-1 NMR and MALDI-TOF MS analysis confirmed quantitative functionalization of chain-ends. Block copolymerization of ethylene oxide was carried out using the terminal hydroxyl group of PMMA as initiator in the presence of potassium counter ion in THF at 35 degrees C. The PMMA-b-PEO diblock copolymers had moderate control of molecular weight with narrow MWD. The H-1 NMR results confirm the absence of trans-esterification reaction of propagating PEO anions onto the ester pendants of PMMA. The micellation behavior of PMMA-b-PEO diblock copolymer was examined in water using H-1 NMR and dynamic light scattering. (C) 2008 Wiley Periodicals, Inc.

}, keywords = {Anionic polymerization, block copolymers, synthesis}, issn = {0887-624X}, doi = {10.1002/pola.22548}, author = {Dhara, Mahua Ganguly and Baskaran, Durairaj and Sivaram, Swaminathan} } @article { ISI:000253450900027, title = {Synthesis of biodiesel over zirconia-supported isopoly and heteropoly tungstate catalysts}, journal = {Catalysis Communications}, volume = {9}, number = {5}, year = {2008}, month = {MAR}, pages = {696-702}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The liquid-phase synthesis of biodiesel by transesterification of sunflower oil with methanol is carried out by using zirconia-supported isopoly and heteropoly tungstates (HPAs) as catalysts. The isopoly and heteropoly tungstate catalysts were prepared by suspending zirconium oxyhydroxide in water/methanol solution of ammonium metatungstate/silicotungstic acid, phosphotungstic acid (WO3/HPA loading, 15\%,,) followed by drying and calcination at 750 degrees C. The catalysts were characterized by XRD, Raman spectroscopy, IR spectroscopy, NH3-TPD and FTIR pyridine adsorption spectroscopy. XRD results indicate that the presence of isopoly and heteropoly tungstates stabilizes ZrO2 in tetragonal phase. Raman and IR spectra of the catalysts show that tungstate species exist as zirconia-anchored octahedral mono-oxotungstate. The acidity measurements by NH3-TPD and FTIR pyridine adsorption spectroscopy show that zirconia-supported phosphotungstate has the highest total acidity and zirconia-supported isopoly tungstate has the highest Bronsted acidity. The zirconia-supported isopoly tungstate shows superior catalytic performance compared to zirconia-supported heteropoly tungstate catalysts. Under the reaction conditions of 200 degrees C and methanol/oil molar ratio 15, 15\% WO3/ZrO2 calcined at 750 degrees C gave 97\% conversion of oil. This catalyst also efficiently catalyzes methanolysis of other vegetable oils like mustard oil and sesame oil. The deactivated catalyst could be regenerated by calcination without appreciable loss in activity. (c) 2007 Elsevier B.V. All rights reserved.

}, keywords = {Biodiesel, phosphotungstic acids, Silicotungstic acid, transesterification, tungsten oxide, Zirconia}, issn = {1566-7367}, doi = {10.1016/j.catcom.2007.08.007}, author = {Sunita, G. and Devassy, Biju M. and Vinu, Ajayan and Sawant, Dhanashri P. and Balasubramanian, Veerappan V. and Halligudi, Shivappa B.} } @article { ISI:000254222400007, title = {Synthesis of bismuth titanate (Bi4Ti3O12)powders via calcination of microwave-hydrothermally (MH) derived precursor}, journal = {Indian Journal of Engineering and Materials Sciences}, volume = {15}, number = {1}, year = {2008}, month = {FEB}, pages = {51-54}, publisher = {NATL INST SCIENCE COMMUNICATION}, type = {Article}, address = {DR K S KRISHNAN MARG, NEW DELHI 110 012, INDIA}, abstract = {

Micrometer sized platelet-like particles of bismuth titanate (Bi4Ti3O12) ire prepared successfully by the calcination of a mixed-precursor in air. The mixed precursor is precipitated Under microwave-hydrothermal (MH) treatment via dissolution-recrystallization kinetics. The mixed precursor is precipitated in-situ by giving MH treatment (at 200 degrees C, 200 psi, and 30 min hold time) to the hydrolysed slurry containing Bi and Ti cations. The slurry was prepared by adding 20\% aqueous KOH precipitant solution to a well-mixed stoichiometric nitrate solution containing Bi and Ti cations. XRD results revealed that the as-dried precursor consisted of a homogenous mixture of non-crystalline particles of Bi2O3 and TiO2. The calcination of the as-dried precursor at 700 degrees C/2 h in air resulted ill the formation of micron sized platelet like single-phase Bi4Ti3O12 powders having orthorhombic structure.

}, keywords = {Bi4Ti3O12, MH processing, SEM, XRD}, issn = {0971-4588}, author = {Khollam, Y. B. and Deshpande, S. B. and Samuel, V. and Potdar, H. S.} } @article { ISI:000259972800039, title = {Synthesis of chimeric tetrapeptide-linked cholic acid derivatives: impending synergistic agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {18}, number = {20}, year = {2008}, month = {OCT}, pages = {5512-5517}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Tetrapeptides derived from glycine and beta-alanine were hooked at the C-3 beta position of the modified cholic acid to realize novel linear tetrapeptide-linked cholic acid derivatives. All the synthesized compounds were tested against a wide variety of microorganisms (Gram-negative bacteria, Gram-positive bacteria and fungi) and their cytotoxicity was evaluated against human embryonic kidney (HEK293) and human mammary adenocarcinoma (MCF-7) cell lines. While relatively inactive by themselves, these compounds interact synergistically with antibiotics such as fluconazole and erythromycin to inhibit growth of fungi and bacteria, respectively, at 1-24 mu g/mL. The synergistic effect shown by our novel compounds is due to their inherent amphiphilicity. The fractional inhibitory concentrations reported are comparable to those reported for Polymyxin B derivatives. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Antimicrobial activity, Cholic acid, Cytotoxicity, Synergism, Tetrapeptide}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.09.013}, author = {Bavikar, Sudhir N. and Salunke, Deepak B. and Hazra, Braja G. and Pore, Vandana S. and Dodd, Robert H. and Thierry, Josiane and Shirazi, Fazal and Deshpande, Mukund V. and Kadreppa, Sreenath and Chattopadhyay, Samit} } @article {42773, title = {Synthesis of multifunctional nanogels using a protected macromonomer approach}, journal = {Colloid and Polymer Science}, volume = {286}, year = {2008}, month = {AUG}, pages = {1061-1069}, type = {Article}, doi = {10.1007/s00396-008-1883-1}, author = {Singh, Neetu and Lyon, L. Andrew} } @article { ISI:000256114400005, title = {Synthesis of oleic acid capped copper nano-particles via reduction of copper salt by SFS}, journal = {Materials Chemistry and Physics}, volume = {110}, number = {1}, year = {2008}, month = {JUL}, pages = {21-25}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Synthesis of oleic acid capped copper nano-particles has been carried out by use of sodium formaldehyde sulfoxylate (SFS) in aqueous medium. Nano-copper can be effectively coated with polyvinyl alcohol (PVA). Phase-pure nano-Cu can be obtained when water/acetone was used as aqueous medium. It is observed that the surface plasmon resonance (SPR) phenomena can be controlled during synthesis by the use of suitable reagent system, e.g. absorption band in presence of PVA can be blue shifted. As-prepared copper nano-particles were characterized by X-ray diffraction measurements (XRD), Scanning electron microscopy (SEM), energy dispersive analysis of X-rays (EDAX), thermo gravimetric analysis (TGA) and Fourier transform infra-red spectroscopy (FTIR). XRD analysis revealed broad pattern for fcc crystal structure of copper metal. The particle size by use of Scherrer{\textquoteright}s equation was calculated to be about 20 nm. TGA revealed similar to 10\% weight loss due to the presence of surfactant. FTIR spectroscopy confirmed the presence of oleic acid around the particles. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, electronic materials, metals, Nanostructure}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2008.01.013}, author = {Khanna, P. K. and Kale, Trupti S. and Shaikh, Mushtaq and Rao, N. Koteswar and Satyanarayana, C. V. V.} } @article { ISI:000257424800017, title = {Synthesis of polyhydroxy piperidines and their analogues: a novel approach towards selective inhibitors of alpha-glucosidase}, journal = {Organic \& Biomolecular Chemistry}, volume = {6}, number = {14}, year = {2008}, month = {JAN}, pages = {2587-2595}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Various polyhydroxy piperidine azasugars have been synthesized from precursors 18a and 18b, obtained in both enantiomeric forms from D-ribose. Out of these polyhydroxy piperidine azasugars, 22, 39 and 20 were found to be potent as well as selective inhibitors of a-glucosidase with K(i) values ranging as low as 1.07 mu M, 16.4 mu M, and 88.2 mu M, respectively. Replacement of the hydroxy methylene moiety of 19 (K(i) 33\% at 1 mM) by an amino methylene moiety (32, K(i) 36.8 mu M) showed a remarkable increase in the activity (almost 30 times). Furthermore, increasing the lipophilicity of 33 by N-alkylation with a dodecyl group (36) showed a three-fold enhancement in the activity (K(i) 217 mu M to K(i) 72.3 mu M).

}, issn = {1477-0520}, doi = {10.1039/b804278k}, author = {Pandey, Ganesh and Bharadwaj, Kishor Chandra and Khan, Mohammad Islam and Shashidhara, K. S. and Puranik, Vedavati G.} } @article { ISI:000262196200011, title = {Synthesis of tryptanthrin and deoxyvasicinone by a regioselective lithiation-intramolecular electrophilic reaction approach}, journal = {Arkivoc}, year = {2008}, month = {JAN}, pages = {100-U9}, publisher = {ARKAT USA INC}, type = {Article}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

An efficient synthesis of the 4(3H)-quinazolinone-based alkaloids, tryptanthrin and deoxyvasicinone has been achieved in good overall yields by using the strategy of regioselective lithiation-intramolecular electrophilic reaction as a key-step. Both the molecules have been synthesized in just two-steps from readily available starting materials.

}, keywords = {4(3H)-Quinazolinone heterocycles, deoxyvasicinone, lithiation-intramolecular electrophilic reaction, tryptanthrin}, issn = {1424-6376}, author = {Potewar, Taterao M. and Ingale, Sachin A. and Srinivasan, Kumar V.} } @article { ISI:000256597700001, title = {Tandem non-polymerizing strategy to higher order acrylamide oligomers; potential intermediates for conformational correlations of poly-N-acrylamides}, journal = {New Journal of Chemistry}, volume = {32}, number = {6}, year = {2008}, month = {FEB}, pages = {909-912}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This letter describes an efficient tandem non-polymerization strategy to deliver higher order N-acrylamide oligomers. These oligomers, accessible in an one-pot procedure, are potential intermediates for the correlation of stereochemistry (tacticity) with conformation and hydrogen bonding propensities in poly (oligo) N-acrylamides.

}, issn = {1144-0546}, doi = {10.1039/b802471e}, author = {Kendhale, Amol M. and Rajamohanan, Pattuparampil R. and Sanjayan, Gangadhar J.} } @article { ISI:000254851800003, title = {Tandem synthesis of beta-amino alcohols from aniline, dialkyl carbonate, and ethylene glycol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {47}, number = {8}, year = {2008}, month = {APR}, pages = {2484-2494}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient tandem route for selective synthesis of beta-amino alcohols from anilines, dialkyl carbonate and ethylene glycol in the presence of recyclable Na-Y zeolite has been demonstrated. Transesterification of dialkyl carbonate by ethylene glycol produce ethylene carbonate which further reacts with aniline to give beta-amino alcohols in a single step. This reaction system was studied under high-pressure as well as pot reaction condition. Various process parametric effects were investigated for the reaction of aniline, dialkyl carbonate, and ethylene glycol. It was observed that a maximum 51\% yield of mono-beta-amino alcohol, i.e., N-phenylethanolamine (NPEA). is obtained under pressure conditions. The yield of NPEA was improved drastically (\>91\%) by carrying out the reaction under pot conditions using diethyl carbonate as transesterification agent. Finally activity and selectivity of solid catalyst was explained on the basis of nature of active sites and pore structure of the catalyst.

}, issn = {0888-5885}, doi = {10.1021/ie070617q}, author = {Shivarkar, Anandkumar B. and Gupte, Sunil P. and Chaudhari, Raghunath V.} } @article { ISI:000260807500005, title = {Taxol and 10-deacetylbaccatinIII induce distinct changes in the dynamics of caveolae}, journal = {FEBS Letters}, volume = {582}, number = {25-26}, year = {2008}, month = {OCT}, pages = {3595-3600}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Taxol treatment of HeLa cells resulted in a transient recruitment of Caveolin-1 to the cell surface followed by internalization. Interestingly, 20 min after 10-deacetylbaccatinIII (10-DAB) treatment, the caveolae displayed faster {\textquoteleft}kiss and run{\textquoteright} dynamics while BaccatinIII (BacIII) did not induce any change. Sustained phosphorylation of Caveolin-1 is observed upon treatment and between Taxol and 10-DAB, the former shows phosphorylated Raf-1, ERK1/2 and hyperphosphorylated Bcl-2 while the later showed much less magnitude of the same. BacIII treatment did not induce phosphorylation of Raf-1 or Bcl-2. It is possible that Taxol might act on multiple targets and the side chain may be crucial. (c) 2008 Federation of European Biochemical Societies. Published by Elsevier B. V. All rights reserved.

}, keywords = {10-DeacetylbaccatinIII, BaccatinIII, Caveolae, Cytotoxicity, Kiss and run dynamic, Taxol, TIRFM}, issn = {0014-5793}, doi = {10.1016/j.febslet.2008.09.029}, author = {Ahmed, Neesar and Dasari, Sreekanth and Srivastava, Saumya S. and Sneh, Amita and Ahmad, Absar and Khan, Mohammad Islam and Krishnasastry, M. V.} } @article { ISI:000260210000002, title = {Thallium(III) p-tosylate mediated oxidative 2,3-aryl rearrangement: a new useful route to ipriflavone and its analogs}, journal = {Synthetic Communications}, volume = {38}, number = {22}, year = {2008}, month = {MAR}, pages = {3875-3883}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A new route for the synthesis of ipriflavone, an antiosteoporotic agent, is described that has four steps and 60\% yields starting from resacetophenone (2). The key step of the present methodology is thallium(III) p-tosylate mediated oxidative 2,3-aryl rearrangement of flavanone to generate the isoflavone ring system of ipriflavone in a highly efficient manner.

}, keywords = {Flavanones, ipriflavone, isoflavones, oxidative rearrangement, thallium(III) p-tosylate}, issn = {0039-7911}, doi = {10.1080/00397910802238734}, author = {Muthukrishnan, Murugan and Singh, Om V.} } @article { ISI:000258432100026, title = {Thermal stability of mesoporous SBA-15 and Sn-SBA-15 molecular sieves: an in situ HTXRD study}, journal = {Microporous and Mesoporous Materials}, volume = {114}, number = {1-3}, year = {2008}, month = {SEP}, pages = {270-280}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Highly ordered SBA-15 and Sn-SBA-15 mesoporous molecular sieves with Si/Sn = 80, 60, 40 and 10 have been prepared through direct synthesis route under milder acidic conditions, which were used for the in situ high temperature X-ray diffraction (HTXRD) studies in the temperature range 298-1573 K for the first time in the literature. SBA-15 is found to be thermally stable up to 1473 K and appearance of alpha-cristobalite was observed at 1573 K also supported by the thermogravimetric (TG) data. A strong negative thermal expansion was observed on heating from 298 to 1573 K (alpha(a) = -4.3 x 10(-6) K-1). Sit containing samples (Si/Sn = 80 and 60) showed a positive thermal expansion (6.75 x 10(-6) K-1 and 9.04 x 10(-6) K-1, respectively). On the other hand, the samples with Si/Sn = 40 and 10 showed a strong negative thermal expansion (-4.12 x 10(-6) K-1 and -7.56 x 10(-6) K-1) similar to SBA-15. The linear thermal expansion coefficient varied in the order: Si/Sn = 60 \> 80 \> 40 \> 0 \> 10. Sn4+ ions exhibit both tetrahedral and octahedral coordination depending upon the location of these ions either on the walls of the silica (Si/Sn = 80 and 60) or in the corona region of the structure (Si/Sn = 40 and 10), respectively. The thermal decomposition of the samples (TG data) is correlated to the thermal expansion behavior (HTXRD data). The decomposition behavior of template ions located within the pores is strongly influenced by the presence of Sn in the framework and a {\textquoteleft}soft{\textquoteright} interaction probably exists between the template ions and the Sn sites. (C) 2008 Elsevier Inc. All rights reserved.

}, keywords = {HTXRD studies, phase transitions, Sn-SBA-15, TG data, Thermal expansion}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2008.01.013}, author = {Shah, Pallavi and Ramaswamy, Veda} } @article { ISI:000260119300077, title = {Transverse susceptibility study of the effect of varying dipolar interactions on anisotropy peaks in a three-dimensional assembly of soft ferrite nanoparticles}, journal = {Journal of Applied Physics}, volume = {104}, number = {6}, year = {2008}, month = {SEP}, pages = {Article No. 063901}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Collective magnetization dynamics in nanoparticle assemblies is of current interest as it forms the basis of high density storage media. It is important to understand how interparticle interactions in a three-dimensional (3D) arrangement of superparamagnetic nanoparticles would affect the overall effective magnetic anisotropy of the system. We have studied the influence of varying strengths of dipolar interaction on the static and dynamic magnetic properties of surfactant-coated monodispersed manganese zinc ferrite nanoparticles using reversible transverse susceptibility. We track the evolution of the anisotropy peaks with varying magnetic field, temperature, and interaction strength. The blocking temperature shows an increase from 28 to 32 K and the coercive field (at 10 K) shows an increase from 144 to 192 Oe as the system changes from the case of weakly interacting to strongly interacting 3D assembly of the particles. (C) 2008 American Institute of Physics. [DOI: 10.1063/1.2977592]

}, issn = {0021-8979}, doi = {10.1063/1.2977592}, author = {Poddar, Pankaj and Morales, Marienette B. and Frey, Natalie A. and Morrison, Shannon A. and Carpenter, Everett E. and Srikanth, Hariharan} } @article { ISI:000254443900006, title = {Ultrasound promoted asymmetric transfer hydrogenation of ketones using Ru(II)arene/amino alcohol catalyst system}, journal = {Ultrasonics Sonochemistry}, volume = {15}, number = {4}, year = {2008}, month = {APR}, pages = {289-293}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Asymmetric transfer hydrogenation of ketones using Ru(II)arene/amino alcohol catalyst system proceeds with significant rate enhancement by ultrasound promotion. Comparison of the silent reactions carried out at 25 degrees C with reactions under sonochemical activation at 25 degrees C clearly showed enhancement in catalytic activity by 5-10 times without significantly affecting the enantioselectivity. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {asymmetric catalysis, transfer hydrogenation, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2007.10.003}, author = {Shingote, Savita K. and Kelkar, Ashutosh A. and Borole, Yogesh L. and Joshi, Pradip D. and Chaudhari, Raghunath V.} } @article { ISI:000255901700030, title = {Ultrasound promoted copper-, ligand- and amine-free synthesis of benzo[b]furans/nitro benzo[b]furans via Sonogashira coupling-5-endo-dig-cyclization}, journal = {Ultrasonics Sonochemistry}, volume = {15}, number = {5}, year = {2008}, month = {JUL}, pages = {853-862}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This method describes the results of the optimized conditions for the one-pot synthesis of benzo[b]furans/nitro benzo[b]furans via Sonogashira coupling-5-endo-dig-cyclization under ultrasonic irradiation at ambient temperature in the absence of copper, ligand and amine. The protocol tolerates wide range of functional groups present in both the coupling components, especially base labile nitro group was not affected under these mild conditions giving excellent yields of the nitro benzo[b]furans. The formation of Pd(0) nanoparticles as the active species has been shown by TEM analysis and the unique role of ultrasound in promoting the total sonochemical protocol has been substantiated by way of control experiments. (C) 2007 Elsevier B.V. All rights reserved.

}, keywords = {1-alkynes, benzo[b]furans, Sonogashira coupling-5-endo-dig-cyclization}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2007.10.006}, author = {Palimkar, Sanjay S. and More, Vijaykumar S. and Srinivasan, Kumar V.} } @article { ISI:000256613900001, title = {Unusual addition of amines to C-2 of vinyl sulfone-modified-beta-D-pent-2-enofuranosyl carbohydrates: synthesis of a new class of beta-anomeric 2-amino-2,3-dideoxy-D-threo-pentofuranosides}, journal = {Carbohydrate Research}, volume = {343}, number = {8}, year = {2008}, month = {JUN}, pages = {1287-1296}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

When 3-C-sulfonyl-pent-2-enofuranosides and 3-C-sulfonyl-hex-2-enofuranosides were reacted with primary and secondary amines, only the beta-anomeric methoxy group of the pent-2-enofuranoside did not cause any hindrance to incoming nitrogen nucleophiles. This resulted in the {\textquoteleft}unusual{\textquoteright} addition of amines, in which the diastereoselectivity of the reaction was overwhelmingly in favor of amino sugars of the D-arabino configuration. Selected products were desulfonylated to obtain a new class of beta-anomeric 2-amino-2,3-dideoxy-D-threo-pentofuranosides. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {amino sugars, deoxyaminosugars, desulfonylation with Mg-MeOH-NiBr(2), diastereoselective Michael addition, vinyl sulfone-modified carbohydrates}, issn = {0008-6215}, doi = {10.1016/j.carres.2008.03.022}, author = {Das, Indrajit and Suresh, Cheravakkattu G. and Decout, Jean-Luc and Pathak, Tanmaya} } @article { ISI:000259760100035, title = {Uranyl-anchored MCM-41 as a highly efficient photocatalyst in the oxidative destruction of short chain linear alkanes: an in situ FTIR study}, journal = {Journal of Physical Chemistry C}, volume = {112}, number = {40}, year = {2008}, month = {OCT}, pages = {15832-15843}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Uranyl ions anchored in the mesopores of MCM-41 molecular sieve were found to be a highly efficient heterogeneous photocatalyst in the complete degradation of short chain linear alkanes such as methane, ethane, propane, and butane, carried out under ambient conditions of light irradiation. In addition to the formation of carbon dioxide and water, a negligible amount of methane was detected during the photooxidation of ethane, propane, and butane. Further, small amounts of ethane were also obtained during photooxidation of butane, suggesting quenching of *UO22+ by a C-C bond cleavage, in addition to a hydrogen atom abstraction. An C, in situ Fourier transform IR spectroscopy analysis was employed in order to monitor the photooxidation of methane and ethane over *UO22+/MCM-41, where formic acid, formaldehyde, and formate species were the transient species identified from methane, and acetic acid, acetaldehyde, and acetate species were the intermediates obtained from ethane. Appropriate reaction pathways were proposed based on the formation of these species (C-H cleavage) and also from the negligible quantitites of methane and ethane obtained during photooxidation of higher alkanes (C-C cleavage).

}, issn = {1932-7447}, doi = {10.1021/jp80779e}, author = {Krishna, Vidya and Kamble, Valmik S. and Gupta, Narendra M. and Selvam, Parasuraman} } @article { ISI:000261555200036, title = {Valence-state analysis through spectroelectrochemistry in a series of quinonoid-bridged diruthenium complexes [(acac)(2)Ru(mu-L)Ru(acac)(2)](n) (n =+2,+1, 0,-1,-2)}, journal = {Chemistry-A European Journal}, volume = {14}, number = {34}, year = {2008}, month = {OCT}, pages = {10816-10828}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The quinonoid ligand-bridged diruthenium compounds [(acac)(2)Ru(mu-L2-)Ru(acac)(2)] (acac(-) = acetylacetonato = 2,4-pentanedionato; L2- = 2,5-dioxido-1,4-benzoquinone, 1; 3,6-dichloro-2,5-dioxido-1,4-benzoquinone, 2; 5,8-dioxido-1,4-naphthoquinone, 3; 2-3-dichloro-5,8-dioxido-1,4-naphthoquinone, 4; 1,5-dioxido-9,10-anthraquinone, 5; and 1,5-diimido-9,10-anthraquinone, 6) were prepared and characterized analytically. The crystal structure analysis of 5 in the rac configuration reveals two tris(2,4-pentanedionato)ruthenium moieties with an extended anthracenedione-derived bis(ketoenolatee) pi-conjugated bridging ligand. The weakly antiferro-magnetically coupled {Ru-III(mu-L2-)Ru{\textendash}(III)} configuration in 1-6 exhibits complicated overall magnetic and EPR responses,. ne simultaneous presence of highly redox-active quinonoid-bridging ligands and of two ruthenium centers capable of adopting the oxidation states +2, +3, and +4 creates a large variety of possible oxidation state combinations. Accordingly. the complexes 1-6 exhibit two reversible one-electron oxidation steps and at least two reversible reduction processes. Shifts to positive potentials were observed on introduction of Cl substituents (1 -\> 2, 3 -\> 4) or through replacement of NH by O (6 -\> 5). The ligand-to-metal charge transfer (LMCT) absorptions in the visible region of the neutral molecules become more intense and shifted to lower energies on stepwise reduction with two electrons. On oxidation, the para-substituted systems 1-4 exhibit monocation intermediates with intervalence charge transfer (IVCT) transitions of (RuRuIV)-Ru-III mixed-valent species. In contrast, the differently substituted systems 5 and 6 show no such near infrared (NIR) absorption. While the first reduction steps are thus assigned to largely ligand-centered processes, the oxidation appears to involve metal-ligand delocalized molecular orbitals with variable degrees of mixing.

}, keywords = {magnetic properties, quinones, ruthenium, spectroelectrochemistry, structure elucidation, valence-state distributions}, issn = {0947-6539}, doi = {10.1002/chem.200800976}, author = {Ghumaan, Sandeep and Sarkar, Biprajit and Maji, Somnath and Puranik, Vedavati G. and Fiedler, Jan and Urbanos, Francisco A. and Jimenez-Aparicio, Reyes and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @conference { ISI:000257237400015, title = {Variability among vitis vinifera cultivars to in vitro propagation}, booktitle = {Proceedings of the International Symposium on Grape Production and Processing}, series = {ACTA HORTICULTURAE}, number = {785}, year = {2008}, note = {International Symposium on Grape Production and Processing, Baramati, INDIA, FEB 06-11, 2006}, month = {MAY}, pages = {127-139}, publisher = {Agr \& Processed Food Prod Export Dev Author; Indian Farmers Fertilizer Cooperat Ltd; Maharashtra Agro Industries Dev Corp Ltd; Indian Council Agr Res; Natl Res Ctr Grapes; Federat Indian Chambers Commerce \& Ind; Natl Hort Board; Minist Food Proc Industrie}, organization = {Agr \& Processed Food Prod Export Dev Author; Indian Farmers Fertilizer Cooperat Ltd; Maharashtra Agro Industries Dev Corp Ltd; Indian Council Agr Res; Natl Res Ctr Grapes; Federat Indian Chambers Commerce \& Ind; Natl Hort Board; Minist Food Proc Industrie}, address = {Po Box 500, 3001 Leuven 1, Belgium}, abstract = {

Response of grapevines to tissue culture has been reported to be genotype dependent, hence it becomes imperative to optimize culture conditions for newly developed varieties or cultivars, needing a large scale planting but availability of sufficient planting stock is a constraint. In the present study, conditions for in vitro propagation of six popular table grape cultivars have been standardized. Single node stem segments of cultivars 2A-Clone of Thompson Seedless, Red Globe, Crimson Seedless, Thompson Seedless, Flame Seedless and Italia cultured on ten different basal media showed varied percentages of bud break and morphogenetic responses. The percentage of bud break varied among the six cultivars. Direct rooting at basal ends of single node segments was observed in all the cultivars except in Italia. Woody plant medium induced the highest response and Eriksson medium the least in all the cultivars tested. Rooted nodal segments with shoots in axils could be established into whole plants on potting. Six cultivars showed different optimum concentrations of growth regulators for induction of maximum number of multiple shoots in both primary as well as secondary nodal segments. Shoot proliferation could be enhanced by several fold in the majority of cultivars on culture of initial shoot clumps to glass bottles instead of culture tubes. Six cultivars showed significant differences in optimum requirement of nutrients and growth regulators for shoot elongation, in vitro and ex vitro rooting and survival rate. Tissue culture plants of all the six cultivars could establish successfully in a greenhouse.

}, keywords = {basal media, Grapevine, growth regulators, micropropagation, Tissue culture, Vitis}, isbn = {978-90-6605-268-0}, issn = {0567-7572}, author = {Barreto, M. S. and Nookaraju, A. and Joglekar, A. M. and Karibasappa, G. S. and Agrawal, Dinesh C.}, editor = {Adsule, P. G. and Sawant, I. S. and Shikhamany, S. D.} } @article { ISI:000261711400013, title = {Vitamin K-3 family members - Part II: Single crystal X-ray structures, temperature-induced packing polymorphism, magneto-structural correlations and probable anti-oncogenic candidature}, journal = {Journal of Molecular Structure}, volume = {892}, number = {1-3}, year = {2008}, month = {DEC}, pages = {74-83}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Temperature-induced packing polymorphism is observed for vitamin K-3 (menadione, 3-methyl-1,4-naphthoquinone, 1). Form la crystallizes at 300 K and 1b at 277 K both in the same space group P2(1)/c. Form 1b contains one molecule per asymmetric unit, performing anisotropy in g-factor viz. g(z) = 2.0082, g(y) = 2.0055 and g(x) = 2.0025, whereas form 1a contains two molecules in its asymmetric unit. Vitamin K-3 family members 2, [2-hydroxy vitamin K-3] and 3, [2-hydroxy-1-oximino vitamin K-3] also perform intrinsic neutral active naphthosemiquinone valence tautomers even in dark having spin concentrations due to hydrogen bonding and aromatic stacking interactions which are compared to vitamin K-3. The significant lateral C-H center dot center dot center dot O and O-H center dot center dot center dot pi bifurcated or pi-pi(center dot) interactions are discussed for molecular associations and radical formations. X-ray structure of 3 revealed pi-pi(center dot) stack dimers as radicals signatured in PR as triplet with five hyperfine splits [(A) over bar(N-14) = 11.9 G]. The centrosymmetric biradicals in 3 show diamagnetism at high temperature but below 10 K it shows paramagnetism with mu(eff) as 0.19 B.M. Vitamin K-3 and its family members inhibit biological activities of acid phosphatase (APase), which are proportional to their spin concentrations. This may relate to their probable anti-oncogenic candidature in future. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Anti-oncogenic candidature, H-bonding, Magneto-structural correlations, Naphthosemiquinones in vitamin K-3 family, Packing polymorphism, Spin concentrations}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2008.05.015}, author = {Rane, Sandhya and Ahmed, Khursheed and Salunke-Gawali, Sunita and Zaware, Santosh B. and Srinivas, D. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000260447200004, title = {WO3/70\% TBHP/aqueous NaOH: an efficient catalytic combination for the selective oxidation of methylarenes and alkyl aryl ketones to benzoic acids}, journal = {European Journal of Organic Chemistry}, number = {29}, year = {2008}, month = {OCT}, pages = {4877-4880}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

A new solvent-free, reusable catalytic combination consisting Of WO3/70\% TBHP/aqueous NaOH has been described for the direct oxidation of methylarenes and acetophenones to the corresponding benzoic acids in high yields. Alkylarenes are oxidized to the corresponding aromatic ketones or benzylic alcohols depending upon whether NaOH is used or not. ((C) Wiley-VCH Verlag GmbH \& Co. KGaA, 69451 Weinheim, Germany, 2008)

}, keywords = {Arenes, Benzoic acids, Ketones, Oxidation, Tungsten}, issn = {1434-193X}, doi = {10.1002/ejoc.200800664}, author = {Shaikh, Tanveer Mahammad Ali and Sudalai, Arumugam} } @article { ISI:000271103500014, title = {Activity and selectivity behavior of 1,2-epoxyethylbenzne hydrogenation in carbon dioxide solvent}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9457-9460}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Catalytic hydrogenation of 1,2-epoxyethylbenzene to 2-phenylethanol over charcoal-supported noble metal in carbon dioxide was studied, and the results were compared with those in heptane and methanol. Charcoal-supported palladium and platinum (Pd/C and Pt/C) catalysts were active metal species for the hydrogenation in solvents. The order of activities over palladium and platinum was heptane \< carbon dioxide \< methanol; however, the formation of dehydroxylated byproduct was suppressed in carbon dioxide solvent. Negative carbon dioxide pressure effect was observed over the Pd/C and Pt/C catalysts in the carbon dioxide solvent.

}, issn = {0888-5885}, doi = {10.1021/ie8018559}, author = {Rode, Chandrashekhar V. and Hiyoshi, Norihito and Mine, Eiichi and Shirai, Masayuki} } @article { ISI:000269956500009, title = {Alum: an efficient catalyst for one-pot synthesis of alpha-aminophosphonates}, journal = {Chinese Chemical Letters}, volume = {20}, number = {9}, year = {2009}, month = {SEP}, pages = {1042-1046}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Alum (KAl(SO(4))(2)center dot 12H(2)O) is an inexpensive, efficient, non-toxic and mild catalyst for the one-pot synthesis of alpha-aminophosphonates. A three component reaction of an aldehyde/ketone, an an-tine and triethyl phosphite was carried out under solvent-free conditions to afford the corresponding alpha-aminophosphonates in short reaction times and high yields with the green aspects by avoiding toxic catalysts and solvents. (C) 2009 Murlidhar S. Shingare. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

}, keywords = {Aldehyde/ketone, alpha-Aminophosphonates, Alum, Amine, Solvent-free, Triethyl phosphite}, issn = {1001-8417}, doi = {10.1016/j.cclet.2009.04.024}, author = {Sonar, Swapnil S. and Shelke, Kiran F. and Kakade, Gopal K. and Shingate, Bapurao B. and Shingare, Murlidhar S.} } @article { ISI:000269502300005, title = {Alum catalyzed convenient synthesis of quino [2,3-b][1,5]benzoxazepine alpha-aminophosphonate derivatives}, journal = {Bulletin of the Korean Chemical Society}, volume = {30}, number = {8}, year = {2009}, month = {AUG}, pages = {1711-1714}, publisher = {KOREAN CHEMICAL SOC}, address = {635-4 YEOGSAM-DONG, KANGNAM-GU, SEOUL 135-703, SOUTH KOREA}, abstract = {

We have described an efficient synthesis of quino[2,3-b][1,5]benzoxazepine alpha-aminophosphonate derivatives by the nucleophilic addition of triethyl phosphite to substituted quino[2,3-b][1,5]benzoxazepines promoted by easily available, inexpensive and mild catalyst KAl(SO(4))(2)center dot 12H(2)O (alum). The reactions proceed smoothly at room temperature under solvent-free reaction conditions and providing high yield of product in very short reaction time.

}, keywords = {5]benzoxazepine, alpha-Aminophosphonate, Alum, Quino[2.3-b][1, Solvent-free, Triethyl phosphite}, issn = {0253-2964}, author = {Sonar, Swapnil S. and Sadaphal, Sandip A. and Shitole, Nana N. and Jogdand, Nivrutti R. and Shingate, Bapurao B. and Shingare, Murlidhar S.} } @article { ISI:000266693600015, title = {Ammonium metavanadate: an effective catalyst for synthesis of alpha-hydroxyphosphonates}, journal = {Arkivoc}, year = {2009}, month = {DEC}, pages = {138-148}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

Ammonium metavanadate (NH(4)VO(3)) is an inexpensive, efficient and mild catalyst for the synthesis of alpha-hydroxyphosphonate derivatives by the reaction of various aryl or heteroaryl aldehydes with triethylphosphite at room temperature. This method affords the alpha-hydroxyphosphonates in short reaction times, under solvent-free conditions, and in high yield.

}, keywords = {Aldehyde, alpha-hydroxyphosphonate, Ammonium metavanadate (NH(4)VO(3)), Solvent-free, Triethyl phosphite}, issn = {1424-6376}, author = {Sonar, Swapnil S. and Kategaonkar, Amol H. and Ware, Madhav N. and Gill, Charansingh H. and Shingate, Bapurao B. and Shingare, Murlidhar S.} } @article { ISI:000267557500025, title = {Antiplasmid activity of 1 {\textquoteleft}-acetoxychavicol acetate from alpinia galanga against multi-drug resistant bacteria}, journal = {Journal of Ethnopharmacology}, volume = {123}, number = {3}, year = {2009}, month = {JUN}, pages = {522-525}, publisher = {ELSEVIER IRELAND LTD}, address = {ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND}, abstract = {

Ethnopharmacological relevance: Alpinia galanga (L.) Swartz is traditionally used in the treatment of various ailments across India, China, and Southeast Asian countries. In India it is a reputed drug in indigenous system of medicine and largely used as antibacterial and antiseptic. In southern India the rhizomes has been used as a domestic remedy against bacterial infections. Aim of the study: To identify a potential antiplasmid compound from Alpinia galanga against multi-drug resistant bacteria. Materials and methods: The crude rhizome extract of Alpinia galanga was prepared in acetone. Antibacterial activity was checked by MIC and antiplasmid activity was checked by SIC. The principal compound responsible for the antiplasmid activity, in the crude extract, was identified by bioassay guided fractionation using hexane-acetone. Antibiotic resistance profile of plasmid harboring strains and plasmid cured strains was determined by disc diffusion method. Results: The crude acetone extract of the rhizomes of Alpinia galanga exhibited antiplasmid activity against Salmonella typhi, Escherichia coli and vancomycin resistant Enterococcus faecalis with an efficiency of 92\%, 82\% and 8\% respectively at 400 mu g/ml SIC. The principal compound responsible for the activity was identified as 1{\textquoteright}-acetoxychavicol acetate. 1{\textquoteright}-Acetoxychavicol acetate demonstrated the ability to cure plasmid encoded antibiotic resistance in various multi-drug resistant bacterial strains of clinical isolates such as Enterococcus faecalis, Salmonella typhi, Pseudomonas aeruginosa, Escherichia coli and Bacillus cereus with curing efficiency of 66\%, 75\%, 70\%, 32\% and 6\% respectively at SIC of 400-800 mu g/ml. Conclusion: 1{\textquoteright}-Acetoxychavicol acetate mediated R-plasmid curing significantly reduced the minimal inhibitory concentration of antibiotics required to inhibit growth of bacteria, thus making the antibiotic treatment more effective. (C) 2009 Elsevier Ireland Ltd. All rights reserved.

}, keywords = {1 {\textquoteleft}-Acetoxychavicol acetate, Alpinia galanga, Antibiotic resistance, Antiplasmid}, issn = {0378-8741}, doi = {10.1016/j.jep.2009.03.028}, author = {Latha, C. and Shriram, Varsha D. and Jahagirdar, Sheetal S. and Dhakephalkar, Prashant K. and Rojatkar, Supada R.} } @article { ISI:000265309100005, title = {Application of a stability-indicating thin-layer chromatographic method to the determination of tenatoprazole in pharmaceutical dosage forms}, journal = {Journal of AOAC International}, volume = {92}, number = {2}, year = {2009}, month = {MAR}, pages = {387-393}, publisher = {AOAC INT}, address = {481 N FREDRICK AVE, STE 500, GAITHERSBURG, MD 20877-2504 USA}, abstract = {

A sensitive, selective, precise, and stability-indicating thin-layer chromatographic (TLC) method was developed and validated for the determination of tenatoprazole both as a bulk drug and in formulation. The method uses TLC aluminum plates precoated with Silica Gel 60(F-254) as the stationary phase and the solvent system toluene-ethyl acetate-methanol (6 + 4 + 1, v/v/v). This system gave compact spots for tenatoprazole (R(f) value of 0.34 +/- 0.02). Tenatoprazole was subjected to acid and alkali hydrolysis, oxidation, and photodegradation. The peaks of the degradation products were well-resolved from that of the pure drug and had significantly different Rf values. Densitometric analysis of tenatoprazole was performed in the absorbance mode at 306 nm. The linear regression analysis data for the calibration plots showed a good linear relationship over the concentration range of 100-1500 ng/spot. The mean values of the correlation coefficient, slope, and intercept were 0.9989 +/- 1.42, 10.27 +/- 0.965, and 4894.2 +/- 1.24, respectively. The method was validated for precision, robustness, and recovery. The limit of detection and limit of quantitation were 50 and 100 ng/spot, respectively. Statistical analysis showed that the method is repeatable and selective for estimation of tenatoprazole. Because the method can separate the drug from its degradation products, it can be used to monitor stability.

}, issn = {1060-3271}, author = {Dhaneshwar, Sunil R. and Bhusari, Vidhya K. and Mahadik, Mahadeo V. and Santhakumari, B.} } @article { ISI:000263299000005, title = {Asymmetric synthesis of tetrahydroquinolin-3-ols via CoCl2-catalyzed reductive cyclization of nitro cyclic sulfites with NaBH4}, journal = {Organic Letters}, volume = {11}, number = {4}, year = {2009}, month = {FEB}, pages = {803-806}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new method for the construction of chiral 3-substituted tetrahydroquinoline derivatives based on asymmetric dihydroxylation and CoCl2-catalyzed reductive, cyclization of nitro cyclic sulfites with NaBH4 has been described with high optical purities. This method has been successfully applied in the formal synthesis of PNU 95666E and anachelin H chromophore.

}, issn = {1523-7060}, doi = {10.1021/ol8028109}, author = {Jagdale, Arun R. and Reddy, R. Santhosh and Sudalai, Arumugam} } @article { ISI:000263509700017, title = {Benzoylation of anisole over silicotungstic acid modified mesoporous alumina}, journal = {Catalysis Letters}, volume = {128}, number = {3-4}, year = {2009}, month = {MAR}, pages = {363-372}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Mesoporous alumina (MA) molecular sieves were synthesized by using aluminum sec-butoxide as Al precursor and lauric acid as the structure directing agent. The synthesized MA was functionalized with silicotungstic acid (STA) via wet impregnation method and characterized by various physico-chemical techniques. The XRD patterns of a series of HPA functionalized MA are showing the ordered structures. N(2) sorption analysis shows type IV isotherm. NH(3)-TPD measurements revealed an increase in number of acid sites with an increase in loading of STA over MA. At the same time decrease in the acidity was observed with the increase in calcination temperature of the supported materials. Functionalization of STA were also carried out over different alumina supports such as catapol-B (CB) and alumina synthesized without surfactant (ASW) and their activities were evaluated by carrying out liquid phase Friedel-Craft acylation (FC) reaction of anisole with p-toluoyl chloride in a batch reactor at 120 degrees C. Recycling was performed in the FC reaction using 30 wt\% STA-MA two times and no major deactivation of the catalyst was observed.

}, keywords = {Friedel-Craft acylation, Mesoporous alumina, Silicotungstic acid}, issn = {1011-372X}, doi = {10.1007/s10562-008-9755-3}, author = {Selvakumar, S. and Singh, A. P.} } @article { ISI:000266071900010, title = {Brevibacillus sp: a novel thermophilic source for the production of bile salt hydrolase}, journal = {Applied Biochemistry and Biotechnology}, volume = {157}, number = {2}, year = {2009}, month = {MAY}, pages = {254-262}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

A thermophilic microorganism growing within the temperature range of 40-65 A degrees C (optimum at 55 A degrees C) was isolated from hot water springs near Konkan, Maharashtra, India. Based on 16S rDNA sequence analysis, it was concluded that the isolate belongs to the genus Brevibacillus. The present paper reports the isolation, identification, and standardization of fermentation conditions for the production of enzyme, bile salt hydrolase (EC 3.5.1.24) which is produced intracellularly at high temperatures. This is the first report regarding the production of bile salt hydrolase from a thermophilic source. Optimization of fermentation conditions resulted in a 2.9-fold enhancement in enzyme production.

}, keywords = {Bile salt hydrolase, Brevibacillus sp, Fermentation, Glycodeoxycholic acid, Hot springs, Thermophile}, issn = {0273-2289}, doi = {10.1007/s12010-008-8326-9}, author = {Sridevi, N. and Prabhune, Asmita} } @article { ISI:000271443200015, title = {Catalytic activity of cobalt containing MCM-41 and HMS in liquid phase oxidation of diphenylmethane}, journal = {Catalysis Letters}, volume = {133}, number = {1-2}, year = {2009}, month = {NOV}, pages = {106-111}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Cobalt containing MCM-41 and HMS were synthesized by direct hydrothermal (DHT) and post synthesis methods (grafting and immobilization). The catalytic activity of these materials was investigated in the liquid phase oxidation of diphenylmethane at 80 A degrees C with TBHP (70 wt\%) as oxidant. Comparative study of cobalt containing MCM-41 and HMS was carried out to reveal the catalytic performance of framework, extraframework and immobilized cobalt species. The role of the solvent in the performance of catalyst was examined with different polar and non polar solvents. Oxidation of diphenylmethane in solvent free media (under similar reaction conditions) shows formation of hydroxy derivatives of benzophenone in addition to main product (benzophenone). Hundred percent selectivity to benzophenone was obtained when the reaction was carried out in solvent.

}, keywords = {diphenylmethane, HMS, Immobilization, MCM-41, XRD}, issn = {1011-372X}, doi = {10.1007/s10562-009-0162-1}, author = {Bhoware, Shrikant S. and Kamble, K. R. and Singh, A. P.} } @article { ISI:000270665200029, title = {Catalytic aerobic oxidation of cyclohexane and ethyl benzene over chromium-containing mesoporous organosilicas}, journal = {Catalysis Letters}, volume = {132}, number = {3-4}, year = {2009}, month = {OCT}, pages = {492-499}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Chromium-containing ethane-bridged hybrid periodic mesoporous organosilicas (Cr-PMO) were synthesized using 1,2-bis(triethoxysilyl) ethane (BTEE) and tetraethyl orthosilicate (TEOS) as silica sources and alkyltrimethyl ammonium salts as surfactants by two different synthesis routes. PXRD and N(2) adsorption-desorption analysis shows that the original structure of the materials is maintained after chromium substitution while spectroscopic study proves the incorporation of chromium in the frame wall positions and show the existence of Cr(2)O(3) species in the mixed silica source (BTEE-TEOS) synthesized chromium samples. The catalytic activity of the newly developed chromium samples was evaluated in the liquid phase oxidation of cyclohexane and ethylbenzene using air as an oxidant. Further, the Cr-PMO samples exhibited better cyclohexane conversion and cyclohexanone selectivity than the conventional Cr-MCM-41 and other metal-containing MCM-41 samples. The exceptional activity of the new chromium-containing molecular sieves is attributed to the hydrophobicity of the materials and to the complementary structural features that facilitates the accessibility of substrate to the active framework chromium sites.

}, keywords = {Cr-MCM-41, Cyclohexane, Ethyl benzene, Organosilicas, Oxidation}, issn = {1011-372X}, doi = {10.1007/s10562-009-0121-x}, author = {Singh, A. P. and Torita, N. and Shylesh, S. and Iwasa, N. and Arai, M.} } @article { ISI:000264614500017, title = {Catalytic meerwein-ponndorf-verley reductions over mesoporous silica supports: rational design of hydrophobic mesoporous silica for enhanced stability of aluminum doped mesoporous catalysts}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {301}, number = {1-2}, year = {2009}, month = {MAR}, pages = {118-126}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of aluminum isopropoxide-grafted mesoporous organosilica having ethane (-CH(2)-CH(2)-) and ethene (-CH=CH-) groups in the frame wall positions (ethane-silica, ethene-silica) as well as mesoporous silicas (MCM-41, MCM-48. SBA-15) through siloxide linkages were fabricated. The samples were used as catalysts in the Meerwein-Ponndorf-Verley reduction of ketones and aldehydes of different nature and size using secondary alcohols as the hydrogen transfer agents. Aluminum isopropoxide supported mesoporous silica samples show higher catalytic conversion and among them, the one-dimensionally channel oriented Si-MCM-41 supported aluminum isopropoxide shows better results than the three-dimensional Si-MCM-48 and the large pore Si-SBA-15. Compared to aluminum isopropoxide-grafted mesoporous silica samples, aluminum alkoxide-grafted organosilica samples shows better catalytic activity even in the presence of 10\% of water and the better stability is attributed to the presence of integrated hydrophobic organic groups in the frame wall positions. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Aluminum isopropoxide, Mesoporous silica, Organosilica, reduction}, issn = {1381-1169}, doi = {10.1016/j.molcata.2008.11.020}, author = {Shylesh, S. and Kapoor, Mahendra P. and Juneja, Lekh R. and Samuel, Prinson R. and Srilakshmi, Ch and Singh, A. R.} } @article { ISI:000261922400011, title = {Cell proliferation and controlled drug release studies of nanohybrids based on chitosan-g-lactic acid and montmorillonite}, journal = {Acta Biomaterialia}, volume = {5}, number = {1}, year = {2009}, month = {JAN}, pages = {93-100}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The present paper reveals the potential uses of novel hybrids of chitosan-g-lactic acid and sodium montmorillonite (MMT) in controlled drug delivery and tissue engineering applications. The drug-loaded novel nanohybrid films and porous scaffolds have been prepared by solvent casting and freeze-drying of the grafted polymer solution, respectively. Sodium Ibuprofen was loaded into nanohybrids of chitosan-g-lactic acid/sodium montmorillonite (CS-g-LA/MMT). Grafting of lactic acid and the drug loading were characterized by Fourier transform infrared spectroscopy. Formation of intercalated nanocomposites was confirmed by X-ray diffraction. Mechanical properties measurements have shown improvement in modulus and strength with expense of elongation by MMT reinforcement. The nanohybrids were found to be stable regardless of pH of the medium. The cell proliferation profile also shows that prepared nanohybrids are biocompatible. MMT reinforcement was found to control the drug (Ibuprofen) release rate in phosphate buffer saline solution (pH 7.4). MMT clay is therefore a viable additive for formulating sustained drug delivery systems based on lactic acid grafted chitosan. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Chitosan, clay, Controlled release, drug delivery systems, Nanocomposites}, issn = {1742-7061}, doi = {10.1016/j.aetbio.2008.08.007}, author = {Depan, Dilip and Kumar, Annamalai Pratheep and Singh, Raj Pal} } @article { ISI:000268335600001, title = {Challenges associated with metal chelation therapy in alzheimer{\textquoteright}s disease}, journal = {Journal of Alzheimers Disease}, volume = {17}, number = {3}, year = {2009}, month = {JUL}, pages = {457-468}, publisher = {IOS PRESS}, address = {NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS}, abstract = {

A close association between brain metal dishomeostasis and the onset and/or progression of Alzheimer{\textquoteright}s disease ( AD) has been clearly established in a number of studies, although the underlying biochemical mechanisms remain obscure. This observation renders chelation therapy an attractive pharmacological option for the treatment of this disease. However, a number of requirements must be fulfilled in order to adapt chelation therapy to AD so that the term {\textquoteleft}{\textquoteleft}metal targeted strategies{\textquoteright}{\textquoteright} seems now more appropriate. Indeed, brain metal redistribution rather than brain metal scavenging and removal is the major goal of this type of intervention. The most recent developments in metal targeted strategies for AD will be discussed using, as useful examples, clioquinol, curcumin, and epigallocatechin, and the future perspectives will also be outlined.

}, keywords = {Alzheimer{\textquoteright}s disease, clioquinol, cuprizone, metal dishomeostasis, metal ions, nanomedicine, Parkinson{\textquoteright}s disease, polyphenols}, issn = {1387-2877}, doi = {10.3233/JAD-2009-1068}, author = {Hegde, Muralidhar L. and Bharathi, P. and Suram, Anitha and Venugopal, Chitra and Jagannathan, Ramya and Poddar, Pankaj and Srinivas, Pullabhatla and Sambamurti, Kumar and Rao, Kosagisharaf Jagannatha and Scancar, Janez and Messori, Luigi and Zecca, Luigi and Zatta, Paolo} } @article { ISI:000271982400003, title = {Characterization of clay intercalated cobalt-salen catalysts for the oxidation of p-cresol}, journal = {Applied Catalysis A-General}, volume = {370}, number = {1-2}, year = {2009}, month = {NOV}, pages = {16-23}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The intercalation of cobalt-salen complexes into the interlamelar spaces of montmorillonite clay was investigated by various characterization studies. The {\textquoteleft}{\textquoteleft}neat{\textquoteright}{\textquoteright} cobalt-salen complex showed a weight loss at 368 degrees C while the weight loss for the corresponding intercalated complex was observed at much higher temperature of 492 degrees C due to decomposition of the complex. The thermal stabilization observed was due to the host-guest interaction of clay and metal complex and thus confirmed the intercalation. The XANES spectrum of Co(salen)-mont sample revealed the change of symmetry from the tetrahedral in plane to the octahedral structure having an axial bonding of oxygen to the cobalt, indicating that cobalt atoms in Co(salen)-mont were coordinated axially with the lattice oxygen of montmorillonite. Both XANES and EXAFS results indicated that cobalt atoms in Co(salen)-mont form two additional Co-O bonds with a bond length of 0.199 nm by the intercalation while retaining the Co-salen structure. Co-salen intercalated into the montmorillonite clay showed the highest activity for the air oxidation of p-cresol, giving 88\% selectivity to the oxidation products. Effects of NaOH concentration and various solvents on the conversion and selectivity patterns also have been studied. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Cobalt-oxygen bond, Cobalt-salen, Extended X-ray absorption fine structure, Intercalation, Lattice oxygen, Montmorillonite, X-ray absorption near edge structure}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.09.003}, author = {Kshirsagar, V. S. and Garade, Ajit C. and Mane, R. B. and Patil, K. R. and Yamaguchi, A. and Shirai, M. and Rode, C. V.} } @article { ISI:000263784200014, title = {Characterization of the smallest dimeric bile salt hydrolase from a thermophile brevibacillus sp.}, journal = {Extremophiles}, volume = {13}, number = {2}, year = {2009}, month = {MAR}, pages = {363-370}, publisher = {SPRINGER JAPAN KK}, address = {CHIYODA FIRST BLDG EAST, 3-8-1 NISHI-KANDA, CHIYODA-KU, TOKYO, 101-0065, JAPAN}, abstract = {

A thermophilic microorganism producing bile salt hydrolase was isolated from hot water springs, Pali, Maharashtra, India. This microorganism was identified as Brevibacillus sp. by 16S rDNA sequencing. Bile salt hydrolase (BSH) was purified to homogeneity from this thermophilic source using Q-sepharose chromatography and its enzymatic properties were characterized. The subunit molecular mass of the purified enzyme was estimated to be 28 kDa by SDS-PAGE and, 28.2 kDa by MALDI-TOF analysis. The native molecular mass was estimated to be 56 kDa by gel filtration chromatography, indicating the protein to be a homodimer. The pH and temperature optimum for the enzyme catalysis were 9.0 and 60A degrees C, respectively. Even though BSH from Brevibacillus sp. hydrolyzed all of the six major human bile salts, the enzyme preferred glycine conjugated substrates with apparent K (M) and k (cat) values of 3.08 mu M and 6.32 x 10(2) s(-1), respectively, for glycodeoxycholic acid. The NH2-terminal sequence of the purified enzyme was determined and it did not show any homology with other bacterial bile salt hydrolases. To our knowledge, this is the first report describing the purification of BSH to homogeneity from a thermophilic source.

}, keywords = {Bile salt hydrolase, Brevibacillus sp., Dimeric intracellular enzyme, Purification, Thermophile}, issn = {1431-0651}, doi = {10.1007/s00792-008-0224-0}, author = {Sridevi, N. and Srivastava, Sameer and Khan, Bashir Mohammad and Prabhune, Asmita Ashutosh} } @article { ISI:000262769700020, title = {Class II alpha-mannosidase from aspergillus fischeri: energetics of catalysis and inhibition}, journal = {International Journal of Biological Macromolecules}, volume = {44}, number = {1}, year = {2009}, month = {JAN}, pages = {112-115}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Energetics of the catalysis of Class II alpha-mannosidase (E.C.3.2.1.24) from Aspergillus fischeri was studied. The enzyme showed K(cat)/K(m) for Man (alpha 1-3) Man, Man (alpha 1-2) Man and Man (alpha 1-6) Man as 7488, 5376 and 3690 M(-1) min(-1), respectively. The activation energy, Ea was 15.14, 47.43 and 71.21 kJ/mol for a1-3, alpha 1-2 and alpha 1-6 linked mannobioses, respectively, reflecting the energy barrier in the hydrolysis of latter two substrates. The enzyme showed K(cat)/K(m) as 3.56 x 10(5) and 4.61 x 10(5) M(-1) min(-1) and E(a) as 38.7 and 8.92 kJ/mol, towards pNP alpha Man and 4-MeUmb alpha Man, respectively. Binding of Swainsonine to the enzyme is stronger than that of 1-deoxymannojirimycin. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {alpha-Mannosidase, Energy of activation, kinetics, Swainsonine}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2008.10.012}, author = {Shashidhara, K. S. and Gaikwad, Sushama M.} } @article { ISI:000268863800079, title = {Click chemistry based rapid one-pot synthesis and evaluation for protease inhibition of new tetracyclic triazole fused benzodiazepine derivatives}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {19}, number = {17}, year = {2009}, month = {SEP}, pages = {5241-5245}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We describe herein a one-pot synthesis of novel tetracyclic scaffolds that incorporate a fusion of a proline, 1,2,3-triazole ring with [1,4]-benzodiazepin-8(4H)-one ring systems following click chemistry. The expected peptide bond formation followed by in situ 1,3-dipolar cycloaddition in absence of any catalyst led to the formation of new triazole fused benzodiazepine derivatives. (C) 2009 Published by Elsevier Ltd.

}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2009.06.107}, author = {Mohapatra, Debendra K. and Maity, Pradip K. and Shabab, M. and Khan, Mohammad Islam} } @article {BHONDE, title = {Clickable SBA-15 mesoporous materials: synthesis, characterization and their reaction with alkynes}, journal = {Journal of Materials Chemistry}, volume = {19}, number = {10}, year = {2009}, month = {JAN}, pages = {1409-1416}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

SBA-15 mesoporous silica has been functionalized with azidopropyl groups through both one-pot co-condensation and post-synthetic grafting. For both these methodologies, azidopropyltriethoxysilane was used to introduce the azidopropyl groups. The azidopropyl modified SBA-15 material synthesized by one-pot co-condensation had hexagonal crystallographic order, pore diameters up of 50 angstrom, and the content of azidopropyl groups was found to be 1.3 mmol g(-1). The presence of the azidopropyl group was confirmed by multinuclear ((13)C, (29)Si) solid state NMR and IR spectroscopy. Both these materials underwent very efficient Cu(I)-catalyzed azide alkyne {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} reaction (CuAAC) with a variety of alkynes. Nearly 85\% of the azide present in the SBA-15 material was converted to the corresponding triazole when propargyl alcohol was used as the substrate. This methodology was also used to incorporate mannose into SBA-15. Incubation of this mannose labeled SBA-15 with fluorescein labeled Concanavalin-A led to the formation of a fluorescent silica-protein hybrid material. The ease of synthesis for the azide labeled SBA-15 material together with its ability to undergo very efficient chemoselective CuAAC in water would make it a very attractive platform for the development of covalently anchored catalysts, enzymes and sensors.

}, issn = {0959-9428}, doi = {10.1039/b815350g}, author = {Malvi, Bharmana and Sarkar, Bibhas R. and Pati, Debasis and Mathew, Renny and Ajithkumar, Thalasseril G. and Sen Gupta, Sayam} } @article { ISI:000264061100021, title = {Cobalt(II) chloride hexahydrate-diisopropylamine catalyzed mild and chemoselective reduction of carboxylic esters with sodium borohydride}, journal = {Synthesis-Stuttgart}, number = {4}, year = {2009}, month = {FEB}, pages = {660-664}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The cobalt-catalyzed reduction of unsaturated alpha-cyano carboxylic esters using sodium borohydride (NaBH(4)) leads to the corresponding saturated cyano alcohols in high yields. In particular, the new catalytic system cobalt(II) chloride-diisopropylamine in combination with NaBH(4) showed excellent activity in the chemoselective reduction of a variety of carboxylic esters to their corresponding alcohols in good to excellent yields under mild conditions.

}, keywords = {Alcohols, amines, catalysis, Esters, reductions}, issn = {0039-7881}, doi = {10.1055/s-0028-1083353}, author = {Jagdale, Arun R. and Paraskar, Abhimanyu S. and Sudalai, Arumugam} } @article { ISI:000268231500057, title = {Combinatorial library of primaryalkylammonium dicarboxylate gelators: a supramolecular synthon approach}, journal = {Langmuir}, volume = {25}, number = {15}, year = {2009}, month = {AUG}, pages = {8742-8750}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Following the supramolecular synthon approach, a combinatorial library comprising 35 organic salts derived from 7 dicarboxylic acids (malonic, succinic-, adipic, L-tartaric-, maleic-, phthalic-, and isophthalicacid) and 5 primaryalkyl amines Me-(CH2)(n)-NH2 (n = 11 - 15) was prepared and scanned for gelation. About 66\% of the salts in the combinatorial library were found to show moderate to good gelling ability in various polar and nonpolar solvents including commercial fuels such as petrol. The majority of the salts having a rigid, unsaturated anionic backbone (maleate, phthalate, and isophthalate) did not show gelation; only the corresponding hexadecylammonium salts showed gelation. Some of the representative gels were characterized by rheology, small-angle neutron scattering (SANS), optical microscopy (OM), and scanning electron microscopy (SEM). Single-crystal structures of two gelator and two nongelator salts were also discussed in the context of supramolecular synthon and structure-property correlation.

}, issn = {0743-7463}, doi = {10.1021/la9001362}, author = {Sahoo, Pathik and Adarsh, N. N. and Chacko, George E. and Raghavan, Srinivasa R. and Puranik, Vedavati G. and Dastidar, Parthasarathi} } @article { ISI:000264484400007, title = {Comparative studies of two araceous lectins by steady state and time-resolved fluorescence and CD spectroscopy}, journal = {Journal of Fluorescence}, volume = {19}, number = {2}, year = {2009}, month = {MAR}, pages = {239-248}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Transitions in the tryptophan microenvironment and secondary structure of two monocot lectins from Sauromatum guttatum and Arisaema tortuosum under different denaturing conditions were studied by steady state and time resolved fluorescence and CD spectroscopy. The lectins exist as tetramers with a single tryptophan residue estimated per monomer, present in a polar environment. Quenching with ionic quenchers showed predominantly electropositive environment for tryptophan residues. Acrylamide had maximum quenching effect. A decrease in KI quenching due to lectin denaturation indicated redistribution of charges as a result of possible conformational change. The two values for lifetimes of tryptophanyl population (1.2-1.4 and 6.3-6.4 ns) reduced substantially on quenching or denaturation. Similarly, both the lectins showed a drastic loss of secondary structure in 5 M Gdn-HCl or 6 M Urea or at pH 2.0 and below. For the first time araceous lectins, like legume lectins are shown to bind adenine. The presence of a compact structure at alkaline pH 10.0-12.0 was observed in CD spectra.

}, keywords = {Araceae lectins, Denaturation, fluorescence, Lifetime spectroscopy, Secondary structure}, issn = {1053-0509}, doi = {10.1007/s10895-008-0409-z}, author = {Dharker, Poorva N. and Gaikwad, Sushama M. and Suresh, C. G. and Dhuna, Vikram and Khan, Mohammad Islam and Singh, Jatinder and Kamboj, Sukhdev Singh} } @article { ISI:000265030200054, title = {Comparing ultraviolet and chemical reduction techniques for enhancing photocatalytic activity of silver oxide/silver deposited nanocrystalline anatase titania}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {15}, year = {2009}, month = {APR}, pages = {6243-6255}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Silver oxide/silver have been deposited, with varying silver concentration (0.01-10 mol \%), on the surface of sol-gel derived nanocrystal line anatase titania using two different techniques, namely the ultraviolet reduction and chemical reduction (using stannous ions). The pure and silver oxide/silver-deposited nanocrystalline anatase titania have been characterized for their morphology, average nanocrystal lite size, specific surface area, phases involved, surface chemistry, band gap, and photoluminescence using various analytical techniques, such as scanning electron microscopy, transmission electron microscopy, Brunauer, Emmett, and Teller surface-area measurement, X-ray diffraction, X-ray photoelectron spectroscopy, ultraviolet-visible spectrophotometry, and spectrofluorometry, respectively. The photocatalytic activity of pure and silver oxide/silver-deposited nanocrystalline anatase titania has been measured by monitoring the degradation of methylene blue dye in an aqueous solution under ultraviolet-radiation exposure. Within the investigated Ag-concentration range, the maximum photocatalytic activity has been observed for 0.1 and 10 mol \% Ag for the chemical-reduction (using stannous ions) and ultraviolet-reduction methods with the corresponding apparent first-order reaction-rate constant (k(app)) values of 0.228 and 0.151 min(-1), which are 3.5 and 2.3 times larger than that of pure nanocrystalline anatase fitania (0.065 min(-1)). The chemical-reduction method (using stannous ions), hence, appears to be more effective than the ultraviolet-reduction method for enhancing the photocatalytic activity of nanocrystalline anatase titania. Various factors such as the surface concentration of superoxide ions, oxygen-ion vacancies, and stannous ions as well as the amount of silver oxide/silver and tin oxide are observed to control the surface-adsorption of methylene blue and photoinduced electron/hole lifetime and, hence, variation in the photocatalytic activity as a function of silver concentration.

}, issn = {1932-7447}, doi = {10.1021/jp8105343}, author = {Priya, R. and Baiju, K. V. and Shukla, S. and Biju, S. and Reddy, M. L. P. and Patil, K. and Warrier, K. G. K.} } @article { ISI:000272077400009, title = {Complex permeability studies of Ni-Co-Zn ferrites synthesized by an oxalate precursor method}, journal = {Smart Materials \& Structures}, volume = {18}, number = {12}, year = {2009}, month = {DEC}, pages = {125009}, publisher = {IOP PUBLISHING LTD}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Nanocrystalline Co-substituted Ni-Zn ferrites have been synthesized by employing a co-precipitation technique using oxalate precursors. The co-precipitated oxalates were decomposed in air at 650 degrees C for 1 h and the powder was sintered at 1000 degrees C. The phase formation of the sintered ferrite was confirmed by x-ray diffraction studies. The lattice parameter a (angstrom) increases with the addition of Co(2+) which is attributed to the large ionic size of Co(2+) (0.78 angstrom), which replaces Ni(2+) (0.74 angstrom). The crystallite size has been estimated by the Debye-Scherrer formula using the full width at half-maximum (FWHM) of the line broadening of the (311) reflection and it is found to be in the range of 25-28 nm. Also, with increasing cobalt content the magnetocrystalline anisotropy constant (K(1)) and magnetostriction constant (lambda(s)) increase, and the grain size decreases, hence the value of initial permeability mu(i) decreases. The saturation magnetization M(s) and magnetic moment (n(B)) do not show any significant variation for all compositions varying with the cobalt content.

}, issn = {0964-1726}, doi = {10.1088/0964-1726/18/12/125009}, author = {Ghodake, J. S. and Kambale, R. C. and Kulkarni, S. D. and Sawant, S. R. and Suryavanshi, S. S.} } @article { ISI:000265330500010, title = {Concise enantioselective synthesis of 1-[(S)-3-(dimethylamino)-3,4 dihydro-6,7-dimethoxyquinolin-1(2H)-yl]propan-1-one, (S)-903}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {3}, year = {2009}, month = {FEB}, pages = {335-339}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A concise enantioselective synthesis of (S)-903, an inotropic agent, is described in nine linear steps and 95\% ee based on asymmetric dihydroxylation of cinnamate ester and Co-catalyzed Multifunctional reduction of several functional groups leading to the construction of core tetrahydroquinolin-3-ol, as the key steps. (C) 2009 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2009.01.019}, author = {Jagdale, Arun R. and Reddy, R. Santhosh and Sudalai, Arurnugam} } @article { ISI:000271252000017, title = {Concise enantioselective synthesis of (+)-decarestrictine L via proline-catalyzed sequential alpha-aminooxylation and Horner-Wadsworth-Emmons olefination}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {18}, year = {2009}, month = {SEP}, pages = {2173-2177}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short enantioselective synthesis of (+)-decarestrictine L, a cholesterol biosynthesis inhibitor metabolite, is described using a D-proline catalyzed sequential alpha-aminooxylation and a Horner-Wadsworth-Emmons olefination. (C) 2009 Elsevier Lid All rights reserved

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2009.08.026}, author = {Rawat, Varun and Chouthaiwale, Pandurang V. and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000264650100005, title = {Concise enantioselective synthesis of (+)-febrifugine}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {1}, year = {2009}, month = {JAN}, pages = {84-88}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short enantioselective synthesis of (+)-febrifugine, a potent antimalarial alkaloid, has been described based on the regioselective asymmetric dihydroxylation of a 1,4-dienic ester as the key step. The strategy also involves chemoselective [3,3]-sigmatropic rearrangement of 1,5-hexadiene-3-ol and intramolecular lactamization of azidolactone for the construction of piperidine core. (C) 2008 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2008.11.024}, author = {Emmanuvel, Lourdusamy and Kamble, Dayanand A. and Sudalai, Arumugam} } @article { ISI:000272133800017, title = {Concise enantioselective synthesis of (+)-lentiginosine}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {19}, year = {2009}, month = {OCT}, pages = {2287-2292}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A high yielding enantioselective synthesis of the indolizidine alkaloid, (+)-lentiginosine, has been described based on asymmetric oza-Cope rearrangement and the L-proline catalyzed alpha-aminooxylation of aldehydes. The strategy also makes use of ring-closing metathesis for the construction of piperidine core. (C) 2009 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2009.08.027}, author = {Shaikh, Tanveer Mahamadali and Sudalai, Arumugam} } @article { ISI:000271238900017, title = {Concurrent In-situ formation of Ag/Ag2S nanoparticles in polymer matrix by facile polymer-inorganic solid state reaction}, journal = {Journal of Nano Research}, volume = {5}, year = {2009}, month = {JAN}, pages = {143-152}, publisher = {TRANS TECH PUBLICATIONS LTD}, address = {LAUBISRUTISTR 24, STAFA-ZUERICH, CH-8712, SWITZERLAND}, abstract = {

We herein report the feasibility of polymer-inorganic solid-state reaction route for simultaneous in situ generation of Ag \& Ag2S nanostructures in polymer network wherein an engineering thermoplastic, polyphenylene sulphide (PPS), itself acts as a chalcogen source as well as a stabilizing matrix for the resultant nanoproducts. Typical solid-state reaction was accomplished by simply heating the physical admixture of the two reactants i.e. AgNO3 and PPS by varying molar ratios mainly 1:1, 1:5, 1:15, 1:20, at the crystalline melting temperature (285 degrees C) of PPS. The synthesized nanoparticles were characterized by various physico-chemical techniques like X-ray Diffractometry, Scanning Electron Microscopy equipped with EDAX, Transmission Electron Microscopy and UV-Visible spectroscopy. The prima facie observations suggest the effective formation and subsequent entrapment of mainly nanocrystalline metallic silver (fcc) in PPS matrix for all the molar ratios chosen for the reaction. Additionally, simultaneous occurrence of nanocrystalline Ag2S (monoclinic phase) is also noticed in case of heated admixture of AgNO3: PPS with equimolar ratio. The TEM analysis reveals nanoscale polydispersity (5nm to 70nm) and prevalence of mainly spherical morphological features in all the cases with occasional indications of triangular and hexagonal morphological features depending upon the reaction molar ratio.

}, keywords = {Ag, Ag2S, Nanoparticles, Polymer inorganic solid -state reaction, Thermoplastic polymer matrix}, issn = {1662-5250}, doi = {10.4028/www.scientific.net/JNanoR.5.143}, author = {Waghmare, Sujata and Shinde, Manish and Gholap, Ramkrishna S. and Rao, N. Koteswara and Hawaldar, Ranjit R. and Mulik, Uttam P. and Amalnerkar, Dinesh P.} } @article { ISI:000262810900014, title = {Conducting polyaniline-nano-TiO2 composites for smart corrosion resistant coatings}, journal = {Electrochimica Acta}, volume = {54}, number = {4}, year = {2009}, month = {JAN}, pages = {1249-1254}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Coatings prepared from polyaniline-nano-TiO2 particles synthesized by in situ polymerization were found to exhibit excellent corrosion resistance much superior to polyaniline (PANI) in aggressive environments. The corrosion Studies were carried out on steel plates coated with these formulations containing 10 wt\% polyaniline prepared with different concentrations of nano-TiO2. The electrochemical impedance spectroscopy was studied at periodic intervals during exposure to hot saline (65 degrees C) conditions for prolonged durations over a period of 90 h. The open circuit potential (OCP) was found to shift with time from -0.38 V SCE to more anodic side (-0.2 V SCE) much above that of bare steel (-0.5 VSCE). The presence of nano-TiO2 was found to be vital in the prevention of corrosion and the shift of OCP to anodic side. From these data, one could envisage more than 100 times improvement in the corrosion resistance especially for polyaniline prepared with 4.18 wt\% nano-TiO2. The exceptional improvement of performance of these coatings has been associated with the increase in barrier to diffusion, prevention of charge transport by the nanosize TiO2, redox properties of polyaniline as well as very large surface area available for the liberation of dopant due to nano-size additive. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Anticorrosion, Coating, conducting polymer, Nano-composite, Titanium dioxide}, issn = {0013-4686}, doi = {10.1016/j.electacta.2008.08.069}, author = {Radhakrishnan, S. and Siju, C. R. and Mahanta, Debajyoti and Patil, Satish and Madras, Giridhar} } @article { ISI:000271552400019, title = {Conformational characterization of human eukaryotic initiation factor 2 alpha: a single tryptophan protein}, journal = {Biochemical and Biophysical Research Communications}, volume = {390}, number = {2}, year = {2009}, month = {DEC}, pages = {273-279}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The alpha-subunit of the human eukaryotic initiation factor 2 (heIF2 alpha), a GTP binding protein, plays a major role in the initiation of protein synthesis. During various cytoplasmic stresses, eIF2 alpha gets phosphorylated by eIF2 alpha-specific kinases resulting in inhibition of protein synthesis. The cloned and over expressed heIF2 alpha, a protein with a single tryptophan (trp) residue was examined for its conformational characteristics using steady-state and time-resolved tryptophan fluorescence, circular dichroism (CD) and hydrophobic dye binding. The steady-state fluorescence spectrum, fluorescence lifetimes (tau(1) = 1.13 ns and tau(2) = 4.74 ns) and solute quenching studies revealed the presence of trp conformers in hydrophobic and differential polar environment at any given time. Estimation of the alpha-helix and beta-sheet content showed: (i) more compact structure at pH 2.0, (ii) distorted alpha-helix and rearranged beta-sheet in presence of 4 M guanidine hydrochloride and (iii) retention of more than 50\% ordered structure at 95 degrees C. Hydrophobic dye binding to the protein with loosened tertiary structure was observed at pH 2.0 indicating the existence of a molten globule-like structure. These observations indicate the inherent structural stability of the protein under various denaturing conditions. (C) 2009 Elsevier Inc. All rights reserved.

}, keywords = {Circular dichroism, heIF2 alpha, K562 cells, Molten globule, Steady-state and time-resolved fluorescence}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2009.09.106}, author = {Sreejith, R. K. and Yadav, Viveka Nand and Varshney, Nishant K. and Berwal, Sunil K. and Suresh, C. G. and Gaikwad, Sushama M. and Pal, Jayanta K.} } @article {Kulkarni, title = {Continuous hydroxyalkylation of p-Cresol to 2,2 {\textquoteleft}-methylenebis(4-Methylphenol) in a fixed bed reactor}, journal = {Journal of Chemical Engineering of Japan}, volume = {42}, number = {10}, year = {2009}, month = {OCT}, pages = {782-787}, abstract = {

{Catalytic activity of various solid acid catalysts is evaluated for the continuous hydroxyalkylation of p-cresol to [

}, author = {Garade, Ajit C. and Hengne, Amol M. and Deshpande, Tushar N. and Shaligram, Sayali V. and Shirai, Masayuki and Rode, Chandrashekhar V.} } @article { ISI:000274985000008, title = {Convenient synthesis of enantiomerically pure (R)-mexiletine using hydrolytic kinetic resolution method}, journal = {Tetrahedron-Asymmetry}, volume = {20}, number = {24}, year = {2009}, month = {DEC}, pages = {2814-2817}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Enantiopure (R)-mexiletine was prepared in a simple and practical way using hydrolytic kinetic resolution method of terminal epoxide by Jacobsen catalyst. High enantiomeric purity (98\% ee) was achieved and the method is well amenable to industrial scale-up. (C) 2009 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2009.11.014}, author = {Sasikumar, Murugesan and Nikalje, Milind D. and Muthukrishnan, Murugan} } @article { ISI:000261342600009, title = {Correlations of thermodynamic properties of aqueous amino acid-electrolyte mixtures}, journal = {Journal of Solution Chemistry}, volume = {38}, number = {1}, year = {2009}, month = {JAN}, pages = {95-114}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Suitable equations have been proposed to correlate thermodynamic properties, like mean ion activity coefficients, volumes and compressibilities, of amino acids in electrolyte solutions. An amino acid-electrolyte-water interaction parameter is extracted from the regression of the amino acid property values in aqueous electrolyte solution that is then transferred to an expression to correlate the properties of the electrolyte in mixtures. The single interaction parameter can successfully correlate the published data on mean ion activity coefficients, apparent molar volumes and compressibilities of amino acids as well as of electrolytes in their aqueous mixtures. The equations are tested against the large number of experimental data sets available in the literature.

}, keywords = {Amino acids, Electrolytes, Pitzer equation, Thermodynamic properties}, issn = {0095-9782}, doi = {10.1007/s10953-008-9355-2}, author = {Saritha, C. and Satpute, Dilip B. and Badarayani, Rohini and Kumar, Anil} } @article { ISI:000271067400004, title = {Cu(OTf)(2)-catalyzed alpha-halogenation of ketones with 1,3-dichloro-5,5 {\textquoteleft}-dimethylhydantoin and N-bromosuccinimide}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry including Medicinal Chemistry}, volume = {48}, number = {10}, year = {2009}, month = {OCT}, pages = {1424-1430}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Copper(II) triflate catalyses efficiently the alpha-halogentation of aryl or alkyl ketones with 1,3-dichloro-5,5{\textquoteright}-dimethyl-hydantoin and N-bromosaccinimde to give the corresponding alpha,alpha-dichloroketones and alpha-bromoketones in high yield with excellent product selectivity.

}, keywords = {Bromination, Catalyst, chlorination, copper (II), Ketone, Lewis acid}, issn = {0376-4699}, author = {Jagdale, Arun R. and Chouthaiwale, Pandurang V. and Sudalai, Arumugam} } @article { ISI:000266061500016, title = {Dependence of Si-29 NMR chemical shielding properties of precursor silicate species, Q(0) on its local structure at the pre-nucleation stages of zeolite synthesis - a DFT based computational correlation}, journal = {Microporous and Mesoporous Materials}, volume = {122}, number = {1-3}, year = {2009}, month = {JUN}, pages = {105-113}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The exploration for new zeolite structures with tailored framework architectures for enhanced catalytic applications requires the knowledge about their nucleation and crystallization at molecular level. Nuclear magnetic resonance (NMR) is one of the most widely tried techniques to understand this. However, by NMR, it is difficult to accurately assign the molecular level precursor silicate structures at the pre-nucleation stages of zeolite synthesis. Hence, understanding the chemical shielding of such precursor molecules using quantum mechanical (QM) computations is extremely useful. Alkali is a fundamental component in the alkali based hydrothermal zeolite synthesis and its nature plays a major role. In the present report, we attempt to understand the differences in the local structure of the primary building block such as Si(OH)(4) (Q(0) silicate species) due to the associated alkali and their influence on NMR chemical shielding properties. Present work reports the calculation of Si-29 NMIR isotropic chemical shifts of T species with different cations such as Na, K and Ca using density functional theory (DFT). Results of natural bonding orbital (NBO) analysis, Perturbation theory energy analysis and electron density iso-surfaces were employed to obtain a deeper insight about their influence on the chemical shielding and on zeolite synthesis. (C) 2009 Elsevier Inc. All rights reserved.

}, keywords = {Ab initio method, Density Functional Theory (DFT), Electron density, NBO analysis, Perturbation theory, Q(0) silicate species, Si-29 NMR chemical shift, synthesis, zeolite}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2009.02.022}, author = {Selvaraj, Kaliaperumal and Kurian, Reshmi} } @article { ISI:000269760900028, title = {Design and synthesis of bile acid-based amino sterols as antimicrobial agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {19}, number = {18}, year = {2009}, month = {SEP}, pages = {5411-5414}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

New bile acid-based amino sterols were synthesized in good yields from C-3 beta-oxiranes as key intermediates. These derivatives were evaluated for their in vitro antimicrobial properties against human pathogens. These compounds showed better antibacterial activity as compared to antifungal activity. Compounds 21 and 22 showed comparable antibacterial activity to gentamicin against Staphylococcus aureus with IC(50) values of 5.14 and 4.46 mu g/mL. This is the first report for the synthesis of C-3 beta-oxiranes on the steroids having A/B cis ring junction and these oxiranes have been used for the synthesis of amino sterols 17, 18, 21, and 22. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Amino sterols, Antibacterial agent, bile acid, Oxirane}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2009.07.117}, author = {Aher, Nilkanth G. and Pore, Vandana S. and Mishra, Nripendra N. and Shukla, Praveen K. and Gonnade, Rajesh G.} } @article { ISI:000281760100214, title = {Development of mycoinsecticide for the control of insect pests: comparative evaluation of metarhizium isolates to identify strains for commercialization}, journal = {New Biotechnology}, volume = {25}, number = {1}, year = {2009}, month = {SEP}, pages = {S88-S89}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {1871-6784}, doi = {10.1016/j.nbt.2009.06.360}, author = {Deshpande, Mukund V. and Kulkarni, Shuklangi A. and Ghormade, Vandana and Kapoor, Manisha and Chavan, Santosh B. and Kulkarni, Grish and Shouche, Yogesh} } @article { ISI:000268436500020, title = {Dipolar S=O center dot center dot center dot C=O and C-H center dot center dot center dot O interactions in the molecular organization of 4,6-di-O-acetyl-2-O-tosyl-myo-inositol 1,3,5-orthoesters}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {65}, number = {7}, year = {2009}, month = {JUL}, pages = {O335-O338}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

In the absence of conventional hydrogen bonding, the molecules of 4,6-di-O-acetyl-2-O-tosyl-myo-inositol 1,3,5-orthoformate, C(18)H(20)O(10)S, (I), and 4,6-di-O-acetyl-2-O-tosyl-myo-inositol 1,3,5-orthobenzoate, C(24)H(24)O(10)S, (II), are associated via C-H center dot center dot center dot O interactions. Molecules of (II) are additionally linked via dipolar S=O center dot center dot center dot C=O contacts. It is interesting to note that the sulfonyl O atom involved in the dipolar S=O center dot center dot center dot C=O contacts does not take part in any other interaction, indicating the competitive nature of this contact relative to the weak hydrogen-bonding interactions.

}, issn = {0108-2701}, doi = {10.1107/S0108270109017211}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000263922500027, title = {Direct method for the preparation of glycolipid-metal nanoparticle conjugates: sophorolipids as reducing and capping agents for the synthesis of water re-dispersible silver nanoparticles and their antibacterial activity}, journal = {New Journal of Chemistry}, volume = {33}, number = {3}, year = {2009}, month = {DEC}, pages = {646-652}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The production of a new class of glycolipid-metal nanoparticle conjugates, namely, sophorolipid reduced/capped silver nanoparticles is demonstrated for the first time, by unveiling the reducing and capping abilities of sophorolipid derived from oleic acid. It is also demonstrated that the sophorolipid capped Ag nanoparticles are highly potent antibacterial agents, against both Gram-positive and Gram-negative bacteria. The utilization of sophorolipid brings out several advantages, such as eliminating the necessity for exogenous reducing agent and imparting better stability to the silver nanoparticles as compared to their oleic acid capped analogues. These sophorolipid capped silver nanoparticles can be obtained as a stable powder that can be re-dispersed in water as desired.

}, issn = {1144-0546}, doi = {10.1039/b811829a}, author = {Singh, Sanjay and Patel, Pitamber and Jaiswal, Swarna and Prabhune, Asmita and Ramana, C. V. and Bhagavatula L. V. Prasad} } @article { ISI:000271072500019, title = {Disproportionation of ethylbenzene in the presence of C-8 aromatics}, journal = {Journal of Natural Gas Chemistry}, volume = {18}, number = {3}, year = {2009}, month = {SEP}, pages = {369-374}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The selective synthesis of p-diethylbenzene (p-DEB) by disproportionation of ethylbenzene (EB) in the presence of aromatics like m- and p-xylene isomers has been studied over a pore size regulated HZSM-5 catalyst. The industrial feed having different compositions of ethylbenzene and xylene isomers was used for the experimentation. Hence, they were expected to hinder the movement of reactant molecules both on the external surface and within the zeolite channels. It was observed that irrespective of the different feed compositions the concentration of the xylene isomers was intact in the product. There is no other byproducts formation like para-ethylmethyl benzene. The effects of varying the concentration of aromatic compounds in the feed on ethylbenzene conversion and product distribution over the parent and modified H-ZSM-5 catalyst have been discussed. Ethylbenzene disproportionation reaction follows the pseudo first order reaction with an activation energy of 8.6 kcal/mol.

}, keywords = {Catalyst, diethylbenzene, disproportionation, ethylbenzene, xylene isomers}, issn = {1003-9953}, doi = {10.1016/S1003-9953(08)60125-5}, author = {Sharnappa, N. and Pai, S. and Bokade, Vijay V.} } @article { ISI:000270770900015, title = {Doping-induced microstructural, textural and optical properties of In2Ti1-xVxO5+delta semiconductors and their role in the photocatalytic splitting of water}, journal = {Materials Chemistry and Physics}, volume = {117}, number = {2-3}, year = {2009}, month = {OCT}, pages = {399-407}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The physicochemical properties of V-doped indium titanates (In2Ti1-xVxO5-delta, 0.0 \<= x \<= 0.2) were investigated by using XPS, powder XRD, UV-vis, SEM and luminescence spectroscopy techniques. The Rietveld refinement of XRD data revealed that even though the V-containing samples were isostructural with In2TiO5 (orthorhombic space group Pnma), a systematic x-dependent variation was noticeable in the Ti-O bond lengths in [TiO6] octahedral units, cell parameters and in the value of delta. XPS results confirmed the coexistence of V5+ and V4+ states, leading thereby to an enhancement in oxygen non-stoichiometry in the doped samples. A loading-dependent progressive shift from 400 to 750 nm was also observed in the onset of the absorption edge, indicating a significant narrowing of the band gap. Furthermore, the samples with higher V-content were comprised of the grain clusters having larger size and an irregular shape. The UV-vis. photoluminescence and thermoluminescence studies indicate that the doping-induced lattice defects may give rise to certain closely spaced acceptor/donor energy levels in between the band gap of host matrix. The indium titanates are found to serve as stable photocatalysts for water splitting under visible light, where oxygen was the major reaction product. The role of microstructural and morphological properties in the photocatalytic activity is discussed. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {In2Ti1-xVxO5+delta photocatalysts, Luminescence spectroscopy, Microstructure, Optical properties, Structure-activity relationship, water splitting}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2009.06.013}, author = {Shah, Pallavi and Bhange, Deu S. and Deshpande, Aparna and Kulkarni, Mukund S. and Gupta, Narendra M.} } @article { ISI:000267662600010, title = {Effect of cultural conditions and media constituents on production of penicillin V acylase and CTAB treatment to enhance whole-cell enzyme activity of rhodotorula aurantiaca (NCIM 3425)}, journal = {Applied Biochemistry and Biotechnology}, volume = {157}, number = {3}, year = {2009}, month = {JUN}, pages = {463-472}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

Penicillin V acylase (PVA) is a pharmaceutically important enzyme as it plays a vital role in the manufacture of semi-synthetic beta-lactam antibiotics. Rhodotorula aurantiaca (NCIM 3425) produced high levels of intracellular penicillin V acylase after 18 h at pH 8.0 and temperature 27 degrees C. Fructose was the best carbon source for PVA production, whereas tryptone was the best nitrogen source to produce the enzyme up to 170 and 1,088 IU/l of culture, respectively. Additionally, the cell-bound PVA activity was enhanced on treatment with cationic detergent. Whole-cell activity was found to be doubled (204\%) on treatment of 0.01 g dry weight of cells with 50 mu g/ml solution of N-cetyl-N,N,N-trimethylammoniumbromide at pH 8.0 for 1 h at room temperature. Atomic force microscopy images of permeabilized cells show perturbation in the cell wall and offer first-ever visual illustration of surface structure modifications that occur during permeabilization of R. aurantiaca cells leading to enhancement in activity of intracellular enzyme.

}, keywords = {Atomic force microscopy, Intracellular enzyme, Penicillin Vacylase, Permeabilization, Rhodotorula aurantiaca}, issn = {0273-2289}, doi = {10.1007/s12010-008-8294-0}, author = {Kumar, Atul and Singh, Sanjay and Poddar, Pankaj and Prabhune, Asmita and Pundle, Archana} } @article { ISI:000263212700021, title = {Effect of gamma-dose rate on crystallinity and morphological changes of gamma-sterilized biomedical polypropylene}, journal = {Polymer Degradation and Stability}, volume = {94}, number = {2}, year = {2009}, month = {FEB}, pages = {272-277}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The present work is aimed to study the changes in crystallinity and morphology of biomedical polyolefins after gamma-sterilization. The isotactic polypropylene (iPP) films were sterilized by gamma-radiation and the changes were characterized by differential scanning calorimetry (DSC), wide angle X-ray diffraction (WAXD) and atomic force microscopy (AFM) techniques. The effect of dose rate on crystallinity changes also was focused. It was found that crystallinity and morphology significantly changed with gamma-irradiation. There was an increase in crystallinity Lip to 10 kGy accompanied with decrease in viscosity and mechanical properties. The changes in crystallinity mainly depend on gamma-irradiation dose and dose rate. The rise in crystallinity was attributed to chain scission and forming new perfect lamellae. However, the reduction was accompanied by occurrence of gamma- and beta-phases and crosslinking. Possible explanations for transitions in phases are also discussed based on our results. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Crystallinity, Dose rate, Gamma radiation, mechanical properties, Morphology, polypropylene}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2008.10.027}, author = {Alariqi, Sameh A. S. and Kumar, A. Pratheep and Rao, B. S. M. and Singh, R. P.} } @article { ISI:000273067400009, title = {Effect of sintering temperature and thermoelectric power studies of the system MgFe2-xCrxO4}, journal = {Solid State Sciences}, volume = {11}, number = {12}, year = {2009}, month = {DEC}, pages = {2075-2079}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Mixed metal oxides showing the spinel structure exhibit interesting structural and electrical properties. Substances with specific compositions in the system MgFe2-xCrxO4 were synthesized by the simple co-precipitation method and have been investigated by X-ray diffraction (XRD) and scanning electron microscope (SEM) to study the effect of temperature on the size of particles and grains. The infrared spectrum shows, two strong bands around 600 and 500 cm(-1). An elemental composition of one of the samples, MgFeCrO4 was found by energy dispersive X-ray spectroscopy (EDS). The thermoelectric power measurements carried out from room temperature to 500 degrees C, show both n-type and p-type behavior. (C) 2009 Elsevier Masson SAS. All rights reserved.

}, keywords = {synthesis, Temperature effect, Thermoelectric studies}, issn = {1293-2558}, doi = {10.1016/j.solidstatesciences.2009.09.005}, author = {Hankare, P. P. and Vader, V. T. and Sankpal, U. B. and Gavali, L. V. and Sasikala, R. and Mulla, Imtiaz S.} } @article { ISI:000263732700047, title = {Effects for the incorporation of five-atom thioacetamido nucleic acid (TANA) backbone on hybridization thermodynamics and kinetics of DNA duplexes}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {9}, year = {2009}, month = {MAR}, pages = {2944-2951}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Thermodynamic studies of nucleic acids serve not only to widen our understanding on the nature and strength of forces that stabilize nucleic acids in a myriad of structural states they assume but also to facilitate the development of databases that could be used to predict the stability and selectivity of probe/primer-sets required in a broad range of nucleic acid-based diagnostic and therapeutic protocols. In the current study, we investigated the effect of a novel, backbone-modified {\textquoteleft}{\textquoteleft}thioacetamido linkage{\textquoteright}{\textquoteright} (TANA) on thermodynamics of hybridization, binding kinetics, and conformation of a DNA duplex. The modification comprises of an extended five-atom amide (N3{\textquoteright}-CO-CH(2)-S-CH(2)) linker, as opposed to four-atom phosphodiester linker backbone present in DNA. One to three TANA-substitutions have been introduced in the linker backbone of two thymidine residues of one of the strand of the DNA duplex. Using spectroscopic and calorimetric techniques, we observed that TANA destabilizes the DNA helix by lowering the favorable enthalpy parameter of duplex formation. TANA center dot DNA duplexes were found to adopt a conformation toward an A-type duplex as shown by circular dichroism spectroscopy studies. Analysis of differential scanning calorimetry data indicated a nonzero heat capacity change, Delta C(p), accompanying the duplex formation. The average Delta C(p) change per duplex was found to be 832.5 cal mol(-1) K(-1), giving an average base-pair change of 59.5 cal (mol of base pairs)(-1) K(-1). Hybridization kinetic measurements using surface plasmon resonance indicated a decrease in binding affinity parameter (K(A)) that originates from higher dissociation rate constants (k(d)). Furthermore, optical melting studies showed that increasing the number of modifications results in a modest change in the number of counterions taken up during duplex formation.

}, issn = {1520-6106}, doi = {10.1021/jp808747g}, author = {Kaur, Harleen and Arora, Amit and Gogoi, K. and Solanke, P. and Gunjal, Anita D. and Kumar, Vaijayanti A. and Maiti, Souvik} } @article { ISI:000268138200061, title = {Electronic structure and catalytic study of solid solution of GaN in ZnO}, journal = {Chemistry of Materials}, volume = {21}, number = {13}, year = {2009}, month = {JUL}, pages = {2973-2979}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Solid solutions of GaN in ZnO (Zn1-zGaz)(O1-xNx) (x and z \<= 0.15) have been prepared by simple solution combustion method, Except for minor changes in the lattice contraction, no significant change in the Wurtzite structure was observed. Raman and secondary ion mass spectrometry results show the direct Zn-N and Ga-N bonds in (Zn1-zGaz)(O1-xNx). Visible light absorption and XPS results demonstrate that N 2p states of nitride occupy the states above the O 2p valence band, and hence a change in optical band gap reduction occurs to similar to 2.5 eV from 3.37 eV for ZnO. Significant nitrogen fixation catalytic activity through NH3 formation has been observed at ambient pressure oil virgin (Zn1-zGaz)(O1-xNx) material, indicating its potential as a catalyst.

}, issn = {0897-4756}, doi = {10.1021/cm900682q}, author = {Mapa, Maitri and Thushara, K. S. and Saha, Biswajit and Chakraborty, Purushottam and Janet, C. M. and Viswanath, R. P. and Nair, C. Madhavan and Murty, K. V. G. K. and Gopinath, Chinnakonda S.} } @article { ISI:000263070700020, title = {Enhanced solar-radiation induced photocatalytic activity of surface-modified nanocrystalline anatase-titania}, journal = {Catalysis Letters}, volume = {128}, number = {1-2}, year = {2009}, month = {MAR}, pages = {137-143}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Sol-gel derived pure nanocrystalline (similar to 20-30 nm) anatase-titania has been surface-modified by depositing silver(I) oxide and silver (predominantly the former) via UV-reduction process. The pure and surface-modified nanocrystalline anatase-titania have been characterized using different analytical techniques for determining the average nanocrystallite size, phase-contents, surface-chemistry, as well as the absorption and photoluminescence characteristics. It is demonstrated that, the latter exhibits an enhanced solar-radiation induced photocatalytic activity as compared to that of the former as a result of the absorption in the visible-region and enhanced photo-induced e(-)/h(+) life-time, both caused by the surface-deposition of silver(I) oxide and silver.

}, keywords = {Nanocrystalline, Photocatalysis, Silver, sol-gel, titania, UV-reduction}, issn = {1011-372X}, doi = {10.1007/s10562-008-9704-1}, author = {Priya, R. and Baiju, K. V. and Shukla, S. and Biju, S. and Reddy, M. L. P. and Patil, K. R. and Warrier, K. G. K.} } @article { ISI:000262301900031, title = {Enhancing intermolecular benzoyl-transfer reactivity in crystals by growing a {\textquoteleft}{\textquoteleft}reactive{\textquoteright}{\textquoteright} metastable polymorph by using a chiral additive}, journal = {Chemistry-A European Journal}, volume = {15}, number = {1}, year = {2009}, month = {NOV}, pages = {261-269}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

Racemic 2,4-di-O-benzoyl-myo-inositol-1,3,5-orthoacetate, which normally crystallizes in a monoclinic form (form I, space group P2(1)/n) could be persuaded to crystallize out as a metastable polymorph (form II, space group C2/c) by using a small amount of either D- or L- 2,4-di-O-benzoyl-myo-inositol-1,3,5-orthoformate as an additive in the crystallization medium. The structurally similar enantiomeric additive was chosen by the scrutiny of previous experimental results on the crystallization of racemic 2,4-di-O-benzoyl-myo-inositol-1,3,5-orthoacetate. Form II crystals call be thermally transformed to form I crystals at about 145 degrees C. The relative organization of the molecules in these dimorphs vary slightly in terms of the helical assembly of molecules, that is, electrophile (El)center dot center dot center dot nucleophile (Nu) and C-H center dot center dot center dot pi interactions, but these minor variations have a profound effect on the facility and specificity of benzoyl-group-transfer reactivity in the two crystal forms. While form II crystals undergo a clean intermolecular benzoyl-group-transfer reaction, form I crystals are less reactive and undergo non-specific benzoyl-group transfer leading to a Mixture of products. The role played by the additive in fine-tuning small changes that are required in the molecular packing opens up the possibility of creating new polymorphs that show varied physical and chemical properties. Crystals of D-2.6-di-O-benzoyl-myo-inositol-1,3,5-orthoformate (additive) did not show facile benzoyl-group-transfer reactivity (in contrast to the corresponding racemic compound) due to the lack of proper juxtaposition and assembly of molecules.

}, keywords = {Acylation, carbohydrates, Crystal growth, cyclitols, solid-state reactions}, issn = {0947-6539}, doi = {10.1002/chem.200801484}, author = {Murali, Chebrolu and Shashidhar, Mysore S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M.} } @article { ISI:000262886200019, title = {Epitaxially grown zinc-blende structured Mn doped ZnO nanoshell on ZnS nanoparticles}, journal = {Materials Research Bulletin}, volume = {44}, number = {2}, year = {2009}, month = {FEB}, pages = {339-344}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Zinc oxide in the bulk as well as in the nanocrystalline form is thermodynamically stable in the wurtzite structure. However, zinc oxide in the zinc-blende structure is more useful than that in the wurtzite structure due to its superior electronic properties as well as possibility of efficient doping. Therefore, zinc oxide shell is grown epitaxially on zinc sulphide core nanoparticles having zinc-blende structure. It is shown that doping of manganese could be achieved in zinc oxide nanoshell with zinc-blende structure. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Chemical synthesis, Luminescence, Nanostructures, Semiconductors, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2008.05.015}, author = {Limaye, Mukta V. and Singh, Shashi B. and Date, Sadgopal K. and Gholap, Ramkrishna S. and Kulkarni, Sulabha K.} } @article { ISI:000264472000008, title = {Epoxy powder coatings containing polyaniline for enhanced corrosion protection}, journal = {Progress in Organic Coatings}, volume = {64}, number = {4}, year = {2009}, month = {MAR}, pages = {383-386}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Incorporation of polyaniline (PANI) in epoxy type powder coating formulations has not been attempted earlier. Using specific grade of PANI with low doping, it can be incorporated in epoxy powder coating formulations by twin screw extrusion process. The powder formulations were deposited on steel substrates by electrostatic spray coating at -60 W and baked at 140 degrees C for 20 min. These were extensively tested for corrosion resistance by exposure to hot saline conditions followed by electrochemical impedance spectroscopy and also salt spray testing. PANI incorporated coatings showed no deterioration even after 1400 h of hot (65 degrees C) saline treatment. The coatings intentionally scratched also exhibited self healing property and there was no rust formation even after prolonged exposure to hot saline conditions. These results could be explained on the basis of additional crosslinking due to PANI, as confirmed by DSC results, which gave rise to improved barrier property and self healing was associated with the scavenging of ions by PANI which prevented corrosion of the underlying substrate. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Corrosion resistance, Epoxy, polyaniline, Powder coating}, issn = {0300-9440}, doi = {10.1016/j.pargcoat.2008.07.024}, author = {Radhakrishnan, S. and Sonawane, Narendra and Siju, C. R.} } @article { ISI:000265439000152, title = {Estimation of free fatty acid content in oils, fats, and biodiesel by (1)H NMR spectroscopy}, journal = {Energy \& Fuels}, volume = {23}, year = {2009}, month = {MAR}, pages = {2273-2277}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A novel (1)H NMR method for the quantification of free fatty acid (FFA) content in vegetable oils, animal fats, and biodiesel is reported. Nonedible oils and animal fats, which are increasingly being explored as cheaper, renewable feed stocks for biodiesel production by transesterification with methanol, contain a significant amount of FFA along with other acidic impurities. The (1)H NMR spectroscopic method is found to be more accurate than the conventional titrimetric analysis for the estimation of FFA content especially in those cases where acidic entities other than the FFA are also present in the feedstock. The titrimetric methods provide a gross acid value which corresponds to that of FFA and other acidic impurities. Our NMR method provides the FFA content exclusively. In the case of refined edible oils (wherein the other acidic impurities are negligible), the results obtained from the (1)H NMR method are comparable with those from the titrimetic analysis.

}, issn = {0887-0624}, doi = {10.1021/ef801011v}, author = {Satyarthi, Jitendra K. and Srinivas, D. and Ratnasamy, Paul} } @article { ISI:000208013800003, title = {Eudragit (R) EPO based nanoparticle suspension of andrographolide: in vitro and in vivo}, journal = {Nanoscience and Nanotechnology Letters}, volume = {1}, number = {3}, year = {2009}, month = {DEC}, pages = {156-164}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Characteristic formulation of an isolated active phytoconstituent is of great therapeutic significance. The purpose of this work was to develop Eudragit (R) EPO based nanoparticle suspension of isolated andrographolide in order to increase its solubility and efficacy. Andrographolide was isolated from Andrographis paniculata and Its Nanoparticle suspension was prepared by precipitation technique. The 3(2) factorial design was used to study the effect of Eudragit (R) EPO and Pluronic (R) F-68 on characteristics of nanoparticle suspension. The optimized formulation was subjected to lyophilization. The nanoparticle suspension, lyophilized suspension and the redispersed lyophilized nanoparticle suspension were characterized by drug content, encapsulation efficiency, particle size, electrokinetic properties, DSC, PXRD, FTIR, TEM and in vitro drug release. Optimized batch showed particle size 255 +/- 9 nm with encapsulation efficiency 93.8 +/- 0.67\% and zeta potential 29.3 +/- 3.4 mV. There was marked increase in drug dissolution with complete drug release within 10 minutes in nanoparticle suspension and redispersed naoparticle suspension as compared to pure drug. However, lyophilization retarded the drug release. The nanoparticle suspension and redispersed nanoparticle suspension also showed improved hepatoprotectivity as compared to andrographolide against CCl(4)-induced hepatotoxicity in rats. The results were confirmed by histopathological studies on hepatic lesions. Thus particle engineering can be used to improve pharmaceutical properties of phytoconstituents.

}, keywords = {Andrographolide, Eudragit (R) EPO, Hepatoprotective Activity, Nanoparticle Suspension, Pluronic (R) F-68}, issn = {1941-4900}, doi = {10.1166/nnl.2009.1029}, author = {Bothiraja, C. and Pawar, Atmaram P. and Shaikh, Karimunnisa S. and Sher, Praveen} } @article { ISI:000264236700037, title = {Exploration of click reaction for the synthesis of modified nucleosides as chitin synthase inhibitors}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {17}, number = {6}, year = {2009}, month = {MAR}, pages = {2433-2440}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Click reaction approach toward the synthesis of two sets of novel 1,2,3-triazolyl linked uridine derivatives 19a-19g and 21a-21g was achieved by Cu(I)-catalyzed 1,3-dipolar cycloaddition of 5{\textquoteright}-azido-5{\textquoteright}-deoxy-2{\textquoteright},3{\textquoteright}-O-(1-methylethylidene) uridine (17) with propargylated ether of phenols 18a-18g and propargylated esters 20a-20g. Structure of one of the representative compound 19d was unambiguously confirmed by X-ray crystallography. Chitin synthase inhibition study of all these compounds 19a-19g and 21a-21g was carried out to develop antifungal strategy. Compounds 19d, 19e, 19f, and 21f were identified as potent chitin synthase inhibitors by comparing with nikkomycin. Compounds 19a, 19b, 19c, 19d, 21a, and 21b showed good antifungal activity against human and plant pathogens. Compounds 19a, 19b, 19f, 21c, 21f, and 21g were identified as lead chitin synthase inhibitors for further modi. cations by comparing results of inhibition of growth, \% germ tube formation and chitin synthase activity. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2, 3-dipolar cycloaddition, 3-Triazole, 4-Disubstituted-1, 5 {\textquoteleft}-Azidouridine, Antifungal compounds, Chitin synthase activity, Click reaction, Uridine nucleosides}, issn = {0968-0896}, doi = {10.1016/j.bmc.2009.02.019}, author = {Chaudhary, Preeti M. and Chavan, Sayalee R. and Shirazi, Fazal and Razdan, Meenakshi and Nimkar, Prachi and Maybhate, Shailaja P. and Likhite, Anjali P. and Gonnade, Rajesh G. and Hazra, Braja G. and Deshpande, Mukund V. and Deshpande, Sunita R.} } @article { ISI:000266526200007, title = {Feature selection and classification employing hybrid ant colony optimization/random forest methodology}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {12}, number = {5}, year = {2009}, month = {JUN}, pages = {507-513}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y26, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Accurate classification of instances depends on identification and removal of redundant features. Classification of data having high dimensionality is usually performed in conjunction with an appropriate feature selection method. Feature selection enables identification of the most informative feature subset from the enormously vast search space that can accurately classify the given data. We propose an ant colony optimization (ACO)/random forest based hybrid filter-wrapper search technique, which traverses the search space and selects a feature subset with high classifying ability. We evaluate the performance of our algorithm on four widely studied CoEPrA (Comparative Evaluation of Prediction Algorithms, http://coepra.org) datasets. The performance of the software ants mediated hybrid filter/wrapper approach compares well with the available competition results. Thus, the proposed Ant Colony Optimization based technique can effectively find small feature subsets capable of classifying with a very good accuracy and can be employed for feature subset selection with a high level of confidence.

}, issn = {1386-2073}, author = {Patil, Diwakar and Raj, Rahul and Shingade, Prashant and Kulkarni, Bhaskar and Jayaraman, Valadi K.} } @article { ISI:000261862800001, title = {Features of homotetrameric molecular association in protein crystals}, journal = {Acta Crystallographica Section D-Biological Crystallography}, volume = {65}, year = {2009}, month = {JAN}, pages = {1-10}, publisher = {WILEY-BLACKWELL PUBLISHING, INC}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The crystal structures of proteins showing homotetrameric association, a common feature observed in many lectins, have been analyzed in order to understand the characteristics of tetrameric association in terms of the arrangement of subunits and their biological significance. The analysis could group the tetramer units into the following four categories. (i) Tetrahedral molecules, in which the four monomers form a nearly perfect tetrahedral arrangement. The angle between the axes of any two monomers is similar to 109 degrees. (ii) Molecules that form a sandwiched dimer of dimers in which the two dimers are arranged perpendicular to each other, one upon the other. (iii) Planar molecules, in which the four monomers lie in one plane and the corresponding sides of adjacent monomers face in opposite directions. This can be considered as a flattened tetrahedral shape. (iv) Planar closed molecules, in which all four monomers lie in one plane arranged in a head-to-tail fashion in a square. The first group and its variant, the third group, are the most commonly found arrangements in crystal structures. Each arrangement has its own importance for biological function. Some tetrameric assemblies that deviate from the majority described above also have relevance to their biological function.

}, issn = {0907-4449}, doi = {10.1107/S0907444908029867}, author = {Katre, Uma V. and Suresh, C. G.} } @article { ISI:000264644800018, title = {Ferromagnetic to spin glass cross over in (La,Tb)(2/3)Ca1/3MnO3}, journal = {Solid State Sciences}, volume = {11}, number = {3}, year = {2009}, month = {MAR}, pages = {714-718}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In the series La2/3-xTbxCa1/3MnO3, it is known that the compositions are ferromagnetic for smaller values of x and show spin glass characteristics at larger values of x. Our studies on the magnetic properties of various compositions in the La2/3-xTbxCa1/3MnO3 series show that the cross over from ferromagnetic to spin glass region takes place above x approximate to 1/8. Also, a low temperature anomaly at 30 K, observed in the ac susceptibility curves, disappears for compositions above this critical value of x. A mixed phase region coexists in the narrow compositional range 0.1 \<= x \<= 0.125, indicating that the ferromagnetic to spin glass cross over is not abrupt. (C) 2008 Elsevier Masson SAS. All rights reserved.

}, keywords = {Ferromagnetism, Magnetic clusters, Manganites, perovskite, Spin glass}, issn = {1293-2558}, doi = {10.1016/j.solidstatesciences.2008.10.002}, author = {Sankar, C. Raj and Vijayanand, S. and Joy, Pattayil Alias} } @article { ISI:000267498700010, title = {Field emission investigation of single Fe-doped SnO2 wire}, journal = {Solid State Sciences}, volume = {11}, number = {6}, year = {2009}, month = {JUN}, pages = {1114-1117}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Tin oxide submicronwires doped with Fe element were prepared by the thermal evaporation method. Morphological and structural characterizations revealed wires with sub micron size and crystalline in nature. The field electron emission from the single Fe:SnO2 wire was carried out in conventional field emission microscope. The Fowler-Nordheim plot obtained from I-V characteristics of the wire showed a linear behavior typical that of metal. The field enhancement factor estimated from the slope of the F-N plot is 7455 cm(-1), indicating that the field emission is from nanometric features of the emitter. A current density of 10 A/cm(2) has been obtained at an applied field of 4.845 x 10(3) V/mu m. The field emission current-time record at a current level of 1 mu A for more than 3 h duration is promising for various field emissions based applications. (C) 2009 Published by Elsevier Masson SAS.

}, keywords = {Current stability, Fe doped, field emission, SnO2}, issn = {1293-2558}, doi = {10.1016/j.solidstatesciences.2009.02.011}, author = {Bhise, Ashok B. and Late, Dattatray J. and Sathe, Bhaskar R. and More, Mahendra A. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K. and Joag, Dilip S.} } @article { ISI:000271238900027, title = {Field emission properties of Al-doped ZnO nanostructures}, journal = {Journal of Nano Research}, volume = {5}, year = {2009}, month = {JAN}, pages = {231-237}, publisher = {TRANS TECH PUBLICATIONS LTD}, address = {LAUBISRUTISTR 24, STAFA-ZUERICH, CH-8712, SWITZERLAND}, abstract = {

Field emission from Al-doped ZnO nanostrcutures has been investigated in planar diode configuration under ultra high vacuum conditions. The Al-doped ZnO nanostructures were synthesized by co-precipitation method with varying aluminium concentrations. The as- synthesized product was characterized by x-ray diffraction, scanning electron microscope and energy dispersive x-ray analysis. The threshold field required to draw a current density of similar to 1 mu A/cm(2) was observed to be similar to 2.0 V/mu m and similar to 2.3 V/mu m for Al-doped ZnO nanostructures synthesized with aluminium concentrations of 1\% and 3\%, respectively. The Fowler- Nordheim (F-N) plots for both the specimens exhibit non-linear behaviour, which is observed to be specimen dependent. The nonlinearity observed in the F-N plots has been interpreted on the basis of the theory of electron emission from semiconductor emitters. The field enhancement factors, estimated from the slope of the F-N plots, are found to be similar to 9.3 x 10(3) and 3.9 x 10(3) for 1\% and 3\% Al-doped ZnO emitters, respectively. The high values of the field enhancement factor Suggest that the emission is from the nanostructures. The emission current stability measured at the preset value of similar to 2 mu A over a period of more than three hours is found to be fairly stable. The results indicate use of Al-doped ZnO nanostructures as promising emitters for field emission based devices.

}, keywords = {field emission, Fowler-Nordheim plots, Nanostructures, ZnO}, issn = {1662-5250}, author = {Navale, Shalaka C. and Sheini, Farid Jamali and Patil, Sandip S. and Mulla, Imtiaz S. and Joag, Dilip S. and More, Mahendra A. and Gosavi, Suresh W.} } @article { ISI:000266693600010, title = {Formal synthesis of (-) anisomycin via organocatalysis}, journal = {Arkivoc}, year = {2009}, month = {JAN}, pages = {88-94}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

An efficient formal synthesis of (-) anisomycin (1), a potent antibiotic agent, has been achieved in good yields and excellent diastereoselectivity. The key steps are proline-catalyzed sequential alpha-amination or alpha-aminoxylation of aldehyde 2 followed by tandem Horner-Wadsworth-Emmons olefination.

}, keywords = {alpha-Amination, alpha-aminoxylation, anisomycin, olefination, Proline}, issn = {1424-6376}, author = {Chouthaiwale, Pandurang V. and Kotkar, Shriram P. and Sudalai, Arumugam} } @article { ISI:000269988600011, title = {Fullerenol-cytotoxic conjugates for cancer chemotherapy}, journal = {ACS Nano}, volume = {3}, number = {9}, year = {2009}, month = {SEP}, pages = {2505-2514}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In the present study, we report the novel application of polyhydroxylated fullerenes (fullerenols) in cancer drug delivery. The facile synthetic procedure for generating multiple hydroxyl groups on the fullerene cage offers scope for high drug loading in addition to conferring hydrophilicity. Doxorubicin, a first line cancer chemotherapeutic, was conjugated to fullerenols through a carbamate linker, achieving ultrahigh loading efficiency. The drug-fullerenol conjugate was found to be relatively stable in phosphate buffer saline but temporally released the active drug when incubated with tumor cell lysate. The fullerenol-doxorubicin conjugate suppressed the proliferation of cancer cell-lines in vitro through a G2-M cell cycle block, resulting in apoptosis. Furthermore, in an in vivo murine tumor model, fullerenol-doxorubicin exhibited Comparable antitumor efficacy as free drug without the systemic toxicity of free doxorubicin. Additionally, we demonstrate that the fullerenol platform can be extended to other chemotherapeutic agents, such as the slightly water-soluble cisplatin, and can emerge as a new paradigm in the management of cancer.

}, keywords = {chemotherapy, doxorubicin, drug delivery, fullerenol, nanoparticle}, issn = {1936-0851}, doi = {10.1021/nn900318y}, author = {Chaudhuri, Padmaparna and Paraskar, Abhimanyu and Soni, Shivani and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article {42757, title = {Functional delivery of siRNA in mice using dendriworms}, journal = {ACS Nano}, volume = {3}, year = {2009}, month = {SEP}, pages = {2495-2504}, doi = {10.1021/nn900201e}, author = {Agrawal, Amit C. and Min, Dal-Hee and Singh, Neetu and Zhu, Haihao and Birjiniuk, Alona and von Maltzahn, Geoffrey and Harris, Todd J. and Xing, Deyin and Woolfenden, Stephen D. and Sharp, Phillip A. and Charest, Alain and Bhatia, Sangeeta N.} } @article { ISI:000273709600061, title = {Gas sensing properties of magnesium ferrite prepared by co-precipitation method}, journal = {Journal of Alloys and Compounds}, volume = {488}, number = {1}, year = {2009}, month = {NOV}, pages = {270-272}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Polycrystalline magnesium ferrite (MgFe(2)O(4)) was prepared by the co-precipitation method. The synthesized compound was characterized for their phase and morphology by X-ray diffraction and scanning electron microscopy, respectively. Conductance responses of the (MgFe(2)O(4)) were measured towards gases like hydrogen sulfide (H(2)S), liquefied petroleum gas (LPG), ethanol vapors (C(2)H(5)OH), SO(x), H(2), NO(x), NH(3), methanol, acetone and petrol. The gas sensing characterstics were obtained by measuring the sensitivity as a function of various controlling factors like operating temperatures and concentrations of gases. It was found that the sensor exhibited various responses towards these gases at different operating temperatures. Furthermore; the MgFe(2)O(4) based sensor exhibited a fast response and a good recovery towards petrol at temperature 250 degrees C. The results of the response towards petrol reveal that (MgFe(2)O(4)) synthesized by a simple co-precipitation method, would be a suitable material for the fabrication of the petrol sensor. (C) 2009 Published by Elsevier B.V.

}, keywords = {Ferrites, Gas sensor, X-ray diffraction and scanning electron microscopy}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2009.08.103}, author = {Hankare, P. P. and Jadhav, S. D. and Sankpal, U. B. and Patil, R. P. and Sasikala, R. and Mulla, Imtiaz S.} } @article { ISI:000262974500006, title = {Growth of barium oxalate crystals in agar-agar gel and their characterization}, journal = {Crystal Research and Technology}, volume = {44}, number = {1}, year = {2009}, month = {JAN}, pages = {36-42}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

{Single crystals of barium oxalate have been grown by get method using agar-agar gel as media of growth at ambient temperature. The optimum conditions were established by varying various parameters such as concentration of gel, concentration of reactant, gel setting time etc. Prismatic platy shaped transparent crystals were obtained. The grown crystals were characterized through powder X-ray diffraction (XRD), Fourier transform infrared (FT-IR) studies, Thermogravimetric (TGA) and Differential thermal analysis (DTA). The compound crystallizes under monoclinic structure with lattice parameters a = 6.6562 angstrom

}, keywords = {barium oxalate, Crystal growth, FT-IR, TGA/DTA, XRD}, issn = {0232-1300}, doi = {10.1002/crat.200800221}, author = {Dalai, P. V. and Saraf, K. B. and Shah, S.} } @article { ISI:000269877500009, title = {High energy electron irradiation effects on polystyrene films}, journal = {Radiation Effects and Defects in Solids}, volume = {164}, number = {10}, year = {2009}, month = {SEP}, pages = {PII 914466497}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The effect of an 8MeV electron-beam on the structural, optical and dielectric properties of polystyrene films has been investigated respectively by means of Fourier transform infrared (FTIR) spectroscopy, ultraviolet-visible (UV-VIS) spectroscopy and electrical impedance (LCR) analysis over a radiation dose in the range of 50-250kGy using a Microtron accelerator. The FTIR spectral analysis shows no change in the overall structure of the irradiated polystyrene films, except a minor change in the intensity of a few peaks in the FTIR spectrum, indicating that polystyrene is resistant to electron-beam irradiation over the range of radiation doses investigated. The optical band gap analysis using the UV-VIS absorption spectra of the polystyrene shows a small decrease in the optical band gap (Eg) and the activation energy with an increase in electron doses. Further, the dielectric measurements over a frequency range of 100Hz to 1MHz for the electron-beam-irradiated polystyrene films show that both the dielectric constant and the dielectric loss increase with an increase in electron radiation dose, which may be ascribed to the formation of defect sites in the band gap of polystyrene as a consequence of molecular chain scission in the polymer films upon irradiation.

}, keywords = {electrons, optical spectroscopy, Polymers, radiation}, issn = {1042-0150}, doi = {10.1080/10420150903173262}, author = {Mathad, R. D. and Kumar, H. G. Harish and Sannakki, B. and Ganesh, S. and Sarma, K. S. S. and Badiger, Manohar V.} } @article { ISI:000270147700079, title = {Hydrolysis of cellulose derived from steam exploded bagasse by penicillium cellulases: comparison with commercial cellulase}, journal = {Bioresource Technology}, volume = {100}, number = {24}, year = {2009}, month = {DEC}, pages = {6679-6681}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A complete cellulase from Penicillium pinophilum was evaluated for the hydrolysis of a-cellulose derived from steam exploded sugarcane bagasse and other cellulosic substrates. alpha-Cellulose at 1\% substrate concentration was completely hydrolyzed by Penicillium cellulase within 3 h wherein at 10\% the hydrolysis was 100\% within 24 h with an enzyme loading of 10 FPU/g. The hydrolysate yielded glucose as major end product as analyzed by HPLC. Under similar conditions, hydrolysis of Sigmacell (microcrystalline cellulose), CP-123 (pulverized cellulose powder) and ball milled Solka Floc were 42\%, 56\% and 52\%, respectively. Further the hydrolysis performance of Penicillium sp. cellulase is compared with Trichoderma reesei cellulase (Accellerase (TM) 1000) from Genencore. The kinetics of hydrolysis with respect to enzyme and substrate concentration will be presented. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Accellerase (TM) 1000, Enzymatic hydrolysis, High beta-glucosidase, Penicillium cellulase, Sugarcane bagasse}, issn = {0960-8524}, doi = {10.1016/j.biortech.2009.07.060}, author = {Singh, Rajkumar and Varma, Anjanikumar and Laxman, Ryali Seeta and Rao, Mala} } @article {42730, title = {Hydrophosphonylation of activated alkenes and alkynes via fluoride ion activation in ionic liquid medium}, journal = {Tetrahedron}, volume = {65}, year = {2009}, month = {JUL}, pages = {7603{\textendash}7610}, abstract = {

A simple transition metal-free hydro/hydrothiophosphonylation of Baylis{\textendash}Hillman adducts, substituted allyl bromides, allenylphosphonates and alkynes, promoted by fluoride ion in ionic liquid, is described. Clear-cut evidence for fluoride activation of the phosphite via pentacoordinate phosphorus is provided for the first time. Also, in a comparative reaction, the product obtained was different from that from the palladium catalyzed one. Structures of key products are proven by X-ray crystallography.

}, doi = {10.1016/j.tet.2009.06.096}, author = {Balaraman, Ekambaram and Srinivas, Venu and Swamy, K. C. Kumara} } @article { ISI:000266197300018, title = {Hypocholesteremic effect of bile salt hydrolase from Lactobacillus buchneri ATCC 4005}, journal = {Food Research International}, volume = {42}, number = {4}, year = {2009}, note = {International Congress on Bioprocesses in Food Industries, Hyderabad, INDIA, NOV 06-08, 2008}, month = {MAY}, pages = {516-520}, publisher = {ICBF Forum; Biotech Res Soc India}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The effect of oral administration of the immobilized bile salt hydrolase enzyme on serum cholesterol. triglyceride, high density lipoprotein levels and its application in the therapeutic treatment of hypercholesteremia was assessed. Culture conditions were optimized for the production of bile salt hydrolase, which resulted in 2.9-fold enhancement in activity. Bile salt hydrolase (BSH; E.C.3.5.1.24) was isolated from Lactobacillus buchneri ATCC 4005 and immobilized in 0.5\% gellan gum gel. The immobilized enzyme was orally delivered in wistar rats, induced with hypercholesteremia by triton X-100. The serum cholesterol and triglycerides were reduced by 50\% and 15\%, respectively, in the group fed with immobilized enzyme 10 IU/kg dose whereas administration of 20 IU/kg immobilized enzyme resulted in reduction of serum cholesterol by 58\% and triglycerides by 45\%, respectively. The results indicate that bile salt hydrolase has potential cholesterol lowering property and oral administration of the immobilized enzyme is an alternative pharmacological approach to reduce serum cholesterol levels. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Bile salt hydrolase, Gellan gum, Hypocholesteremic effect, Lactobacillus buchneri, Wistar Rats}, issn = {0963-9969}, doi = {10.1016/j.foodres.2009.02.016}, author = {Sridevi, N. and Vishwe, Pradnya and Prabhune, Asmita} } @article { ISI:000278806800025, title = {Identification of defensins employing recurrence quantification analysis and random forest classifiers}, journal = {Pattern Recognition and Machine Intelligence, Proceedings}, volume = {5909}, year = {2009}, note = {3rd International Conference on Pattern Recognition and Machine Intelligence, IIT Delhi, New Delhi, INDIA, DEC 16-20, 2009}, month = {DEC}, pages = {152-157}, publisher = {ISI Kolkata}, address = {HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY}, abstract = {

Defensins represent a class of antimicrobial peptides synthesized in the body acting against various microbes. In this paper we study defensins using a non-linear signal analysis method Recurrence Quantication Analysis (RQA). We used the descriptors calculated employing RQA for the classification of defensins with Random Forest Classifier. The RQA descriptors were able to capture patterns peculiar to defensins leading to an accuracy rate of 78.12\% using 10-fold cross validation.

}, isbn = {978-3-642-11163-1}, issn = {0302-9743}, author = {Karnik, Shreyas and Prasad, Ajay and Diwevedi, Alok and Sundararajan, V. and Jayaraman, Valadi K.}, editor = {Chaudhury, S. and Mitra, S. and Murthy, C. A. and Sastry, P. S. and Pal, S. K.} } @article { ISI:000278806800024, title = {Identification of N-glycosylation sites with sequence and structural features employing random forests}, journal = {Pattern Recognition and Machine Intelligence, Proceedings}, volume = {5909}, year = {2009}, note = {3rd International Conference on Pattern Recognition and Machine Intelligence, IIT Delhi, New Delhi, INDIA, DEC 16-20, 2009}, month = {DEC}, pages = {146-151}, publisher = {ISI Kolkata}, address = {HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY}, abstract = {

N-Glycosylation plays a very important role in various processes like quality control of proteins produced in ER, transport of proteins and in disease control. The experimental elucidation of N-Glycosylation sites is expensive and laborious process. In this work we build models for identification of potential N-Glycosylation sites in proteins based on sequence and structural features. The best model has cross validation accuracy rate of 72.81\%.

}, isbn = {978-3-642-11163-1}, issn = {0302-9743}, author = {Karnik, Shreyas and Mitra, Joydeep and Singh, Arunima and Kulkarni, B. D. and Sundarajan, V. and Jayaraman, Valadi K.}, editor = {Chaudhury, S. and Mitra, S. and Murthy, C. A. and Sastry, P. S. and Pal, S. K.} } @article { ISI:000272560400015, title = {Immobilization of phosphotungstic acid (PTA) on imidazole functionalized silica: evidence for the nature of PTA binding by solid state NMR and reaction studies}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {50}, year = {2009}, month = {DEC}, pages = {21114-21122}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Phosphotungstic acid (PTA) immobilized onto imidazole functionalized fumed silica and was used its an efficient catalyst for epoxidation of a variety of olefins using aqueous H(2)O(2) as all oxidant. Negligible leaching of PTA under the reaction conditions employed indicates a strong interaction between PTA and imidazole The immobilized catalysts Could be separated and reused after the catalytic cycle Evidence for the heterogenization of PTA oil the imidazole functionalized fumed silica has been inferred from different spectroscopic techniques like IR, UV-vis, and NMR. Importantly, the nature of binding of PTA oil the support has been studied in detail by solid state NMR spectroscopy using (15)N labeled imidazole Support. It is clear from the NMR Studies that the effective heterogenization of PTA is mainly due to imidazolium ion Formation oil the support by the acidic protons of PTA and the resultant ion pair

}, issn = {1932-7447}, doi = {10.1021/jp906108e}, author = {Sofia, L. T. Aany and Krishnan, Asha and Sankar, M. and Raj, N. K. Kala and Manikandan, Palanichamy and Rajamohanan, P. R. and Ajithkumar, Thalasseril G.} } @article { ISI:000267478100001, title = {Immobilized invertase}, journal = {Biotechnology Advances}, volume = {27}, number = {4}, year = {2009}, month = {JUL}, pages = {311-322}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Invertase is a commercially important enzyme used for the hydrolysis of sucrose. The hydrolysis of sucrose yields an equimolar mixture of glucose and fructose, known as invert syrup, is widely used in food and beverage industries. This enzyme is also used for the manufacture of artificial honey, plasticizing agents used in cosmetics, pharmaceutical and paper industries as well as enzyme electrodes for the detection of sucrose. Immobilization of invertase and its biotechnological applications are reviewed. (c) 2009 Elsevier Inc. All rights reserved.

}, keywords = {Applications, Immobilization, Invert syrup, Saccharase}, issn = {0734-9750}, doi = {10.1016/j.biotechadv.2009.01.009}, author = {Kotwal, S. M. and Shankar, V.} } @article { ISI:000271252400004, title = {Incorporation of tin in different types of pores in SBA-15: synthesis, characterization and catalytic activity}, journal = {Microporous and Mesoporous Materials}, volume = {126}, number = {3}, year = {2009}, month = {DEC}, pages = {234-244}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Mesoporous Sn-SBA-15 has been synthesized by three different methods Such as conventional hydrothermal route, using cocatalyst NH4F and in the presence of organosilane precursor. All the materials are thoroughly characterized by powder X-ray diffraction (XRD), SEM. TEM. N-2 sorption and surface area measurements, diffuse-reflectance UV-visible and FTIR spectroscopy. TG-DTA and elemental analysis through ICP. Nitrogen adsorption data, XRD patterns, and TEM observations Suggests that the textural properties are retained during the isomorphous substitution of silicon by tin. ICP chemical analysis indicates that tin can be substituted in the range of S-l/S-n = 69-162. UV-visible spectra of samples synthesized by the cocatalytic approach exhibit unique absorption band at 213 nm characteristics of tin atom substituted in the smaller pores (2-3 nm) located inside the walls of mesopores. Further, an additional band at 224 nm can be assigned to Sri atoms located in the distorted tetrahedral position along the primary mesopores. In contrary, only one absorption band centered at 224 nm is observed for all the samples synthesized by conventional hydrothermal as well as in the presence of organosilane precursor. F-19 NMR spectra confirmed (no signal) the absence of occluded F- ions in the samples made with NH4F. Observed high catalytic activity in Baeyer-Villiger oxidation and Meerwin-Pondorf-Verly reduction under the liquid-phase conditions suggest the incorporation of a portion of tin in the smaller pores for the Sn-SBA-15 materials synthesized through cocatalyst method. (C) 2009 Elsevier Inc. All rights reserved.

}, keywords = {Baeyer-Villiger oxidation, catalysis, Functionalization of mesopores, Meerwin-Pondorf-Verly reduction, Sn-SBA-15}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2009.05.038}, author = {Sasidharan, M. and Kiyozumi, Y. and Mal, N. K. and Paul, M. and Rajamohanan, P. R. and Bhaumik, Asim} } @article { ISI:000271713300024, title = {Influence of electronic factors on pd-mediated cycloisomerization: a systematic investigation of competitive 6-exo-dig versus 7-endo-dig cyclizations of sugar alkynols}, journal = {Tetrahedron}, volume = {65}, number = {47}, year = {2009}, month = {NOV}, pages = {9819-9832}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Pd-mediated cycloisomerization of 3-C-propargyl-ribo- and allofuranose derivatives was investigated in detail to understand the influence of electronic factors on the regioselectivity (6-exo- vs 7-endo) of alkynol cycloisomerization leading either to a six- or seven-membered ring. In general, the 6-exo-dig mode of cyclization is facile and is independent of electronic factors. With some of the alkynols, a regioselective (7-endo?) hydration of the alkyne unit was observed and this has been attributed to the participation of C(3)-OH. When the C(3)-OH was protected as its benzyl ether, cycloisomerization of these alkynols occurred exclusively in a 6-exo-dig mode resulting in the corresponding [3.2.1]-bicyclic ketals. Additional control experiments conducted were in support of the participation of C(3)-OH in regioselective alkyne hydration. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Alkynol cycloisomerization, Bridged bicyclic ketal, Palladium, Sonogashira coupling, Sugar alkynol}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.09.071}, author = {Ramana, C. V. and Induvadana, Boddeti and Srinivas, Burgula and Yadagiri, Kommagalla and Deshmukh, Madhusudhan N. and Gonnade, Rajesh G.} } @article { ISI:000270410800024, title = {Influence of process variables on growth of ZnO nanowires by cathodic electrodeposition on zinc substrate}, journal = {Thin Solid Films}, volume = {517}, number = {24}, year = {2009}, month = {OCT}, pages = {6605-6611}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Influence of the deposition duration and electrolyte concentration on the structural and morphological features of the ZnO thin films, grown by cathodic electrodeposition on zinc substrate followed by annealing in air at 400 degrees C, have been investigated. The surface morphology of the as-synthesized films shows two distinct features, presence of {\textquoteleft}2-dimensional nanosheets{\textquoteright} on the area near the electrolyte-air interface and {\textquoteleft}granular{\textquoteright} nanostructures, below the interface region. However, upon annealing, the formation of ZnO nanowires, possessing length of several microns and diameter less than 20 nm, on the entire substrate is observed. The X-ray and selected area electron diffraction patterns clearly confirm the polycrystalline nature of the ZnO nanowires. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Annealing, Electrodeposition, Nanowires, photoluminescence, scanning electron microscopy, transmission electron microscopy, Zinc oxide}, issn = {0040-6090}, doi = {10.1016/j.tsf.2009.04.046}, author = {Sheini, Farid Jamali and Mulla, Imtiaz S. and Joag, Dilip S. and More, Mahendra A.} } @article { ISI:000265833600006, title = {On the influence of spatial heterogeneity on an internal boundary layer at a short fetch}, journal = {Journal of Earth System Science}, volume = {118}, number = {1}, year = {2009}, month = {FEB}, pages = {61-70}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Surface layer meteorological data collected at a coastal site, at Vasco-Da-Gama (15A degrees 21{\textquoteright}N, 73A degrees 51{\textquoteright}E, 58.5m MSL) (13-18 July, 2002) with prevailing southwesterly surface winds are analyzed to study the characteristics of internal boundary layer at a short fetch using an instrumented tower (9 m). The spectral and turbulence characteristics of wind are compared with earlier measurements made at a comparatively homogeneous terrain and the standards available in literature. The study show the smaller eddies in the vertical velocity spectrum attains equilibrium with the underlying surface at a short fetch itself and follows spectral similarity. However, this is not followed by longitudinal and transverse velocity spectra under unstable as well as stable conditions.

}, keywords = {heterogeneity, IBL, sea-land interface, wind spectra}, issn = {0253-4126}, doi = {10.1007/s12040-009-0006-9}, author = {Murthy, B. S. and Latha, R. and Sukumaran, Cini and Shivaji, A. and Sivaramakrishnan, S.} } @article { ISI:000272134300006, title = {Interaction of alpha-mannosidase from aspergillus fischeri with glycosidase inhibitors, metal ions and group specific reagents}, journal = {Research Journal of Biotechnology}, volume = {4}, number = {4}, year = {2009}, month = {NOV}, pages = {39-48}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {

As an initial step towards using alpha-mannosidase as a target against anticancer drugs, inhibition studies of a model enzyme, class II alpha-mannosidase from Aspergillus fischeri in presence of polyhydroxy piperidine derived glycosidase inhibitors, metal ions and amino acid specific reagents were carried out to reveal the sensitivity of the enzyme. Three of the derivatives (Compound 20, 32 and 39)(11) showed competitive inhibition (K(i) =45, 48 and 235 mu M) and the binding of the inhibitors to the enzyme was entropically driven. Among the metal ions checked, Cu(++) (K(i) = 21nm) and Se(++) ions (K(i) = 32 mu M) showed noncompetitive and Co(++) (K(i) = 1.195 mM) showed competitive inhibition of the enzyme activity with insignificant change in the secondary structure of the protein. The above studies exhibit the Potential of the enzyme in studying anticancer drugs. Treatment of the enzyme with group specific reagents showed the presence of carboxylate, Arg and Cys at the active site. Substrate protection studies and kinetics of the modified enzyme confirmed the above results. Trp and His at the active site were observed to be in proximity.

}, keywords = {active-site, alpha-Mannosidase, Chemical modification, Glycosidase inhibitors, metal ions}, issn = {0973-6263}, author = {Shashidhara, K. S. and Gaikwad, S. M. and Khan, Mohammad Islam and Bharadwaj, Kishor Chandra and Pandey, G.} } @article { ISI:000264897200035, title = {Interfacial and physico-chemical properties of polymer-supported CdS center dot ZnS nanocomposites and their role in the visible-light mediated photocatalytic splitting of water}, journal = {Journal of Colloid and Interface Science}, volume = {333}, number = {1}, year = {2009}, month = {MAY}, pages = {263-268}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Nano-composite CdS center dot ZnS moieties coated over polyester strip were found to exhibit better visible-light-mediated photo-activity for splitting of water, as compared to corresponding pure CdS or ZnS containing coupons. This increase in activity depended upon the mol ratio of the two component sulphides in a particular sample. HRTEM experiments revealed the presence of 1-3 nm size CdS particles embedded over larger size ZnS clusters, the composite samples thus functioning as a highly dispersed guest-host system. In the case of CdS and ZnS dispersed individually over polyester, average crystallite size was found to be around 5 and 15 rim, respectively. A blue shift was observed in the UV-vis absorption spectrum of US oil addition of ZnS, in conformation with the quantum size effects. Powder XRD, electron diffraction and XPS Studies showed that the nanocomposites were comprised of the face-centered cubic (alpha) phases of both US and ZnS in a close contact with each other. At the same time, certain solid solution phases, i.e. Cd(1-x)Zn(x)S. were generated at the interfaces of these two semiconductors. Our Study demonstrates that the increase in the number of reaction sites due to smaller size of US particles and the micro-structural properties associated with the nanostructured US or CdS/ZnS interfaces may together play a vital role in the augmented catalytic activity of CdS center dot ZnS composite photocatalysts. (c) 2009 Elsevier Inc. All rights reserved.

}, keywords = {CdS center dot ZnS nanocomposites, Photocatalytic activity, Role of microstructural properties, Splitting of water}, issn = {0021-9797}, doi = {10.1016/j.jcis.2009.01.037}, author = {Deshpande, Aparna and Shah, Pallavi and Gholap, Ramkrishna S. and Gupta, Narendra M.} } @article { ISI:000269926200012, title = {Intermediate hamiltonian hilbert space coupled cluster method: theory and pilot application}, journal = {International Journal of Quantum Chemistry}, volume = {109}, number = {13}, year = {2009}, month = {NOV}, pages = {2909-2915}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The intermediate Hamiltonian state universal (Hilbert-space) coupled-cluster method is presented, using a formalism similar to that developed for the valence universal (Fock-space) approach. The method is expected to be applicable to many states not accessible by traditional multiroot multireference all-order size-extensive approaches. A pilot application to excited states of atomic beryllium shows good convergence and agreement with experiment and full CI values. (C) 2009 Wiley Periodicals, Inc. Int J Quantum Chem 109: 2909-2915, 2009

}, keywords = {coupled cluster, Hilbert space, intermediate Hamiltonian}, issn = {0020-7608}, doi = {10.1002/qua.22155}, author = {Eliav, Ephraim and Borschevsky, Anastasia and Shamasundar, K. R. and Pal, Sourav and Kaldor, Uzi} } @article { ISI:000266411800024, title = {Isostructural molecular strings linked via conserved dipolar (ether) O center dot center dot center dot C=O short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters}, journal = {CrystEngComm}, volume = {11}, number = {6}, year = {2009}, month = {JAN}, pages = {1022-1029}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Conformational dimorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoformate and its orthoacetate analogue were characterized using single crystal X-ray diffraction, thermal analysis and hot-stage microscopy techniques. In these polymorphs, the tosyl group adopted different conformations due to the rotation about the O-S bond. A significant variation in the torsion angle for the tosyl group (similar to 56 degrees) was observed for Form II crystal of the orthoformate derivative, which exhibited an intramolecular dipolar S=O center dot center dot center dot C=O (sulfonyl-carbonyl) short contact. An interesting feature in all conformational polymorphs is the formation of an isostructural string (despite the differences in the orientation of the tosyl group) linked via dipolar (ether) O center dot center dot center dot C=O contacts, which is further stitched by other weak interactions to form different layers in their crystal lattice.

}, issn = {1466-8033}, doi = {10.1039/b818888b}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000268053200010, title = {Isothermal crystallization and melting behavior of polypropylene/layered double hydroxide nanocomposites}, journal = {Thermochimica Acta}, volume = {491}, number = {1-2}, year = {2009}, month = {JUL}, pages = {63-70}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The effect of layered double hydroxide (LDH) nanolayers on the crystallization behavior of polypropylene (PP) was studied based on the preparation of nanocomposites by a melt intercalation method. The isothermal crystallization kinetics and subsequent melting behavior of PP/LDH hybrids were studied with differential scanning calorimetry (DSC), polarized optical microscopy (POM), and wide-angle X-ray diffraction (WAXD). Studies revealed that the LDH promoted heterogeneous nucleation, accelerating the crystallization of PR The Avrami equation successfully describes the isothermal crystallization kinetics of PP/LDH hybrids and signifies heterogeneous nucleation in crystal growth of PR The varying values of Avrami exponent (n) and half crystallization time (t(1/2)) of PP and PP/LDH hybrids describes overall crystallization behavior. The crystallite size (D(hkl)) and distribution of different crystallites in PP varied in presence of LDH. A significant increase in melting temperature is observed for PP/LDH hybrids. The POM showed that smaller and less perfect crystals were formed in nanocomposites because of molecular interaction between PP chains and LDH. The value of fold surface free energy (sigma(e)) of PP chains decreased with increasing LDH content. Finally, the overall results signify that LDH at nanometer level acted as nucleating agent and accelerate the overall crystallization process of PR (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Isothermal crystallization, Layered double hydroxide, Melting behavior, Polypropylene nanocomposites}, issn = {0040-6031}, doi = {10.1016/j.tca.2009.03.002}, author = {Lonkar, Sunil P. and Singh, R. P.} } @article { ISI:000266263000034, title = {Liquid phase oxidation of p-cresol over cobalt saponite}, journal = {Topics in Catalysis}, volume = {52}, number = {6-7}, year = {2009}, month = {JUN}, pages = {784-788}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Liquid phase oxidation of p-cresol was carried out over a Co-saponite catalyst in a temperature and pressure range of 333-393 K and 20-827 kPa, respectively in n-propanol. Co-saponites with varying cobalt content (5-30\%) were prepared and screened among which 13\% Co-saponite gave the highest conversion of 92\% of p-cresol with 92\% selectivity to p-hydroxybenzaldehyde without formation of any non-oxidation products.

}, keywords = {Co-saponite, Liquid phase oxidation, p-Cresol, p-Hydroxybenzaldehyde, XPS}, issn = {1022-5528}, doi = {10.1007/s11244-009-9199-z}, author = {Kshirsagar, Vikas S. and Garade, Ajit C. and Patil, Kashinath R. and Shirai, Masayuki and Rode, Chandrashekhar V.} } @article { ISI:000268022700058, title = {Magnetic and dielectric properties of nanophase manganese-substituted lithium ferrite}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {321}, number = {19}, year = {2009}, month = {OCT}, pages = {3270-3273}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nanocrystalline manganese-substituted lithium ferrites viz. Li0.5Fe2.5-xMnxO4 (2.5 \<= x \>= 0) were prepared by sol-gel autocombustion method. X-ray diffraction analysis confirmed that as the concentration of manganese increases the cubic phase changes to the tetragonal phase. The variation of saturation magnetization was studied as a function of manganese content. All the compositions indicate that they are ferrimagnetic in nature. The dielectric constant, dielectric loss tangent and ac conductivity of all samples were measured at room temperature as a function of frequency. These parameters decrease with increase in frequency for all of the samples. The substitution of manganese plays an important role in changing the structural and magnetic properties of these ferrites. The compositional variation of dielectric constant and d.c. resistivity shows an inverse trend of variation with each other. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {dielectric constant, Ferrite, Magnetization, X-ray diffraction}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2009.05.074}, author = {Hankare, P. P. and Patil, R. P. and Sankpal, U. B. and Jadhav, S. D. and Mulla, Imtiaz S. and Jadhav, K. M. and Chougule, B. K.} } @article { ISI:000272896300048, title = {Magnetic phase transition in valence tautomers as polymorphs of 3-iodolawsone: Single crystal X-ray structure, DSC and EPR studies}, journal = {Journal of Molecular Structure}, volume = {938}, number = {1-3}, year = {2009}, month = {DEC}, pages = {328-335}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Three polymorphs of 3-iodolawsone (I-III) have been isolated and characterized by single crystal X-ray diffraction, electron paramagnetic resonance (EPR) spectroscopy and differential scanning calorimetry (DSC) techniques. Polymorphs I and II were crystallized from methanol in two different valence tautomeric forms: hydroxynaphthoquinone (HNQ) and hydroxynaphthoseimquinone (HNSQ) as needles and thick plates, respectively. Polymorph III was crystallized from ethanol in HNQ form, as thin plates Chiral crystals of I belongs to the orthorhombic P2(1)2(1)2(1) space group: II and III belong to the monochnic non-centrosymmetric space group Cc. The molecules are packed via O-H O bonding and pi . pi stacking interactions. The study reveals that relatively stronger intermolecular H-bonding (2.02 angstrom) and most favoured pi . pi stacking (similar to 3 49 angstrom) interactions lead II to HNSQ radicals, presence of which was confirmed by EPR (g = 2.0052) spectroscopy. Interestingly, these materials exhibit crystal-to-crystal magnetic phase transition from polymorph I (diamagnetic) to polymorph II (paramagnetic structure) at 171.1 degrees C as identified by DSC and X-ray crystallographic studies (C) 2009 Elsevier B.V. All rights reserved

}, keywords = {3-Iodolawsone, Hydroxynaphthoquinone (HNQ), Hydroxynaphthosemiquinone radical (HNSQ), Magnetic phase transition, Polymorphs, Valence tautomers}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2009.10.005}, author = {Zaware, Santosh B. and Dagade-Waghmode, Shobha and Gonnade, Rajesh G. and Srinivas, Darbha and Rane, Sandhya Y.} } @article { ISI:000263397900005, title = {Manipulation of magnetic nanostructures through low temperature metal-oxygen chemistry: Co/CoO exchange biased nanodonuts and Co nanotips}, journal = {Solid State Communications}, volume = {149}, number = {7-8}, year = {2009}, month = {FEB}, pages = {277-280}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Dense nanodonut and nanotip type morphologies are shown to self-evolve in Ultrathin cobalt films during growth under Vacuum, depending oil the level of oxygen incorporation and temperature. The nanodonut morphology forms at room temperature and the corresponding magnetic hysteresis shows exchange bias (similar to 35 Oe shift along the field axis), which is attributed to the presence of CoO and its exchange Coupling with cobalt. The morphology evolves into nanotip features with increase of growth temperature, with Concurrent elimination of the oxide component and exchange bias. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Co/CoO, Magnetic film, self assembly, Vacuum evaporation}, issn = {0038-1098}, doi = {10.1016/j.ssc.2008.12.019}, author = {Phase, Deodatta and Choudhary, Ram Janay and Ganesan, V. and Reddy, V. Raghvendra and Gupta, Ajay and Selvi, N. and Kulkarni, Sneha and Ogale, Satishchandra} } @article { ISI:000264991100040, title = {Mass transfer and solubility of CO and H-2 in ionic liquid. case of [Bmim][PF6] with gas-inducing stirrer reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {8}, year = {2009}, month = {APR}, pages = {4075-4082}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Since the past decade, ionic liquids have gained significant importance as alternative solvents for catalysis applications. Many of the reactions evaluated in ionic liquids employ gases as substrates, and therefore it is important to know their solubility and mass transfer characteristics. This work reports for the first time both the solubility and volumetric gas-liquid mass transfer coefficient k(La) for hydrogen and carbon monoxide in 1-n-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) at three temperatures (293, 323, and 373 K) in relevance to hydroformylation reaction. The experimental data on the volumetric gas-liquid mass transfer coefficient are described by a dimensionless correlation for the bench-scale stirred tanks with gas-inducing impeller. k(La) values have also been evaluated for different [Bmim][PF6]-decane emulsions at 373 K.

}, issn = {0888-5885}, doi = {10.1021/ie801584p}, author = {Sharma, Amit and Julcour, Carine and Kelkar, Ashutosh A. and Deshpande, Raj Madhukar and Delmas, Henri} } @article { ISI:000272936400005, title = {Mechanistic study of surface functionalization of enzyme lysozyme synthesized Ag and Au nanoparticles using surface enhanced raman spectroscopy}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {52}, year = {2009}, month = {DEC}, pages = {21493-21500}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The fate of bioactivity of biomolecules such as enzymes, proteins, and even drug molecules is greatly affected by the conformational changes in the proximity of the solid surfaces. This interaction is the key to the potential of their further applications as biosensors, in drug delivery, etc. With increasing interest in the biofunctionalization of noble metal nanoparticles for various applications, it is important to precisely investigate the functional groups responsible for binding with the nanoparticle surfaces and probable structural changes in the structure of the biomolecules as both are key factors affecting the bioactivity of these molecules once they are tagged onto the nanoparticle surfaces. However, it is not an easy task to probe these properties, especially for bigger Molecules such as enzymes and proteins. Surface-enhanced Raman spectroscopy (SERS) has been used extensively in the detection of biomolecules and study of their conformation on noble metal surfaces since its discovery because of its high sensitivity. This technique is capable of detecting changes in the secondary structure and the effects of surrounding environment on the biomolecule in the proximity of nanoscopic rough metal surfaces. In this study, we have used this technique to precisely determine the functional groups responsible in the Surface capping of Ag and Au nanoparticles synthesized by the hen egg derived enzyme lysozyme. The sharp and intense Stokes Raman shift peaks observed around 704, 866, 1519, and 1598 cm(-1), in the case of Ag nanoparticles, which are assigned to tryptophan, tyrosine, phenylalanine, and histidine residues, clearly indicate the involvement of these residues for surface passivation of the Ag nanoparticle surface. The Ag-N peak situated around 236 cm(-1) was also seen in the spectra, showing that probably the amine group of lysozyme is responsible in binding to the Ag nanoparticle surface. Similarly, in the case of Au nanoparticles, we observed sharp and intense peaks around 1583, 1545, and 1584 cm(-1) which were assigned to above-mentioned amino acid residues, indicating that a similar mechanism is also responsible for the binding of lysozyme molecules at the Au nanoparticle surface. In both cases peaks for the amide III band (C-N-H) around 1250 cm(-1) were also observed.

}, issn = {1932-7447}, doi = {10.1021/jp905806t}, author = {Das, Raja and Jagannathan, Ramya and Sharan, Chandrashekhar and Kumar, Umesh and Poddar, Pankaj} } @article { ISI:000266222400014, title = {Microwave assisted convenient synthesis of quino[2,3-b][1,5]benzoxazepines}, journal = {Chinese Chemical Letters}, volume = {20}, number = {5}, year = {2009}, month = {MAY}, pages = {557-561}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

A convenient synthesis of quino[2,3-b][1,5]benzoxazepines from substituted 2-chloroquinoline-3-carbaldehyde and 2-hydroxyaniline by using stable, non-toxic and inexpensive catalyst 1,8-diazabicyclo-undecan-7-ene (DBU)/silica gel is described. This method affords the quino[2,3-b][1,5]benzoxazepines under the influence of microwave irradiation (360 W) in solvent-free conditions within short reaction times (2-3 min), giving high yields of products (93-96\%). (C) 2009 Murlidhar S. Shingare. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

}, keywords = {3-b][1, 5]benzoxazepines, DBU/silica gel, Microwave irradiatiom, Quino[2, Solvent-free}, issn = {1001-8417}, doi = {10.1016/j.cclet.2009.01.031}, author = {Sonar, Swapnil S. and Sadaphal, Sandip A. and Pawar, Shivaji S. and Shingate, Bapurao B. and Shingare, Murlidhar S.} } @article {42728, title = {Mitsunobu and related reactions: advances and applications}, journal = {Chemical Reviews}, volume = {109}, year = {2009}, month = {APR}, pages = {2551{\textendash}2651}, doi = {10.1021/cr800278z}, author = {Swamy, K. C. Kumara and Kumar, N. N. Bhuvan and Balaraman, Ekambaram and Kumar, K. V. P. Pavan} } @article { ISI:000266640800030, title = {Modulation and optimization of drug release from uncoated low density porous carrier based delivery system}, journal = {AAPS Pharmscitech}, volume = {10}, number = {2}, year = {2009}, month = {JUN}, pages = {547-558}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The purpose of this research work was to explore an application of uncoated porous drug carrier prepared by single-step drug adsorption for a delivery system based on integration of floating and pulsatile principles intended for chronotherapy. This objective was achieved by utilizing 3(2) factorial design, solvent volume (X (1)) and drug amount (X (2)) as selected variables, for drug adsorption using solvents, methanol, and dichloromethane (DCM), of varying polarity. Nitrogen adsorption (N(2)), scanning electron microscopy of cross-sections, and atomic force microscopy were done to study adsorption patterns and their effect on release pattern. Drug release study was customized by performing for 6 h in acidic environment to mimic gastroretention followed by basic environment akin to transit phase. Correlation between porous data from mercury and N(2) adsorption was probably studied for the first time. Observed regression analysis values for pore volume, surface area, and drug release indicated the influence of selected variables. Total release range in acidic medium was 12.77-24.57\% for methanol, 8.79-15.26\% for DCM, and final release of 69.45-92.23\% for methanol, and 60.16-99.99\% for DCM influenced by varying internal geometries was observed. Present form of drug delivery system devoid of any additives/excipients influencing drug release shows distinct behavior from other approaches/technologies in chronotherapy by (a) observing desired low drug release (8\%) in acidic medium, (b) overcoming the limitations of process variables caused by multiple formulation steps and different characteristic polymers, (c) reducing time consumption due to single step process, and (d) extending as controlled/extended release.

}, keywords = {chronotherapy, floating pulsatile drug delivery system, low density porous carrier, pore data, solvent polarity}, issn = {1530-9932}, doi = {10.1208/s12249-009-9239-9}, author = {Sher, Praveen and Ingavle, Ganesh C. and Ponrathnam, Surendra and Poddar, Pankaj and Pawar, Atmaram P.} } @article { ISI:000265811500010, title = {MoO3/SiO2: an efficient and selective catalyst for the synthesis 1,3-dioxolane and 1,3-dioxane}, journal = {Catalysis Communications}, volume = {10}, number = {10}, year = {2009}, month = {MAY}, pages = {1404-1409}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of MoO3/SiO2 catalysts with varying amounts of MoO3 has been synthesized and the catalytic activities of these were compared with the known solid acid catalysts in the synthesis of 1,3-dioxolane. MoO3/SiO2 catalyst showed a better activity and selectivity in 1,3-dioxolane synthesis compared to the other catalysts. MoO3/SiO2 catalyst system was further successfully applied for the synthesis of 1,3-dioxanes in the Prins cyclization of olefins and formaldehyde. The proposed catalyst was thermally stable and could be recovered and reused at least in four consecutive cycles with no significant loss in the substrates conversions and products selectivities. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {1, 3-Dioxolanes, Cycloaddition, MoO3/SiO2, Prins cyclization, Sol-gel method, solid acid catalysts}, issn = {1566-7367}, doi = {10.1016/j.catcom.2009.03.007}, author = {Amrute, Amol P. and Sahoo, Suman and Bordoloi, Ankur and Hwang, Young Kyu and Hwang, Jin-Soo and Halligudi, Shiva B.} } @article { ISI:000272591100003, title = {Multiferroic behavior of gd based manganite}, journal = {Ferroelectrics}, volume = {392}, year = {2009}, month = {OCT}, pages = {PII 917324971}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Here we report the multiferroic nature of charge ordered manganite Gd0.5Sr0.5MnO3 for the first time. The temperature variation of dielectric constant shows broad relaxor type ferroelectric transition at around 210K and magnetization measurements shows weak ferromagnetism at 50K. The dielectric peak is very close to charge ordering temperature which is an evidence of the link between electronic state and increase of dielectric response. Butterfly variation of capacitance with voltage confirms ferroelectric nature of the sample at room temperature.

}, keywords = {dielectric constant, manganite, Multiferroic}, issn = {0015-0193}, doi = {10.1080/00150190903412408}, author = {Sagar, S. and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000266208900051, title = {Nanoparticle-mediated targeting of MAPK signaling predisposes tumor to chemotherapy}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {106}, number = {19}, year = {2009}, month = {MAY}, pages = {7957-7961}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

The MAPK signal transduction cascade is dysregulated in a majority of human tumors. Here we report that a nanoparticle-mediated targeting of this pathway can optimize cancer chemotherapy. We engineered nanoparticles from a unique hexadentate-polyD, L-lactic acid-co-glycolic acid polymer chemically conjugated to PD98059, a selective MAPK inhibitor. The nanoparticles are taken up by cancer cells through endocytosis and demonstrate sustained release of the active agent, resulting in the inhibition of phosphorylation of downstream extracellular signal regulated kinase. We demonstrate that nanoparticle-mediated targeting of MAPK inhibits the proliferation of melanoma and lung carcinoma cells and induces apoptosis in vitro. Administration of the PD98059-nanoparticles in melanoma-bearing mice inhibits tumor growth and enhances the antitumor efficacy of cisplatin chemotherapy. Our study shows the nanoparticle-mediated delivery of signal transduction inhibitors can emerge as a unique paradigm in cancer chemotherapy.

}, keywords = {cancer, Signal transduction}, issn = {0027-8424}, doi = {10.1073/pnas.0902857106}, author = {Basu, Sudipta and Harfouche, Rania and Soni, Shivani and Chimote, Geetanjali and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article { ISI:000266529600001, title = {Nanoscale particles for polymer degradation and stabilization-trends and future perspectives}, journal = {Progress in Polymer Science}, volume = {34}, number = {6}, year = {2009}, month = {JUN}, pages = {479-515}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The field of nanoscience and nanotechnology is extending the applications of physics, chemistry, biology, engineering and technology into previously unapproached infinitesimal length scales. The polymer-nanoparticles/nanocomposites have been the exponentially growing field of research for developing the materials in last few decades and have been mainly focusing on the structure-property relationships and their development. Since the polymer-nanocomposites have been the staple of modern polymer industry, their durability under various environmental conditions and degradability after their service life are also essential fields of research. Thus, this article is intended to review the status of worldwide research in this aspect. Among various nanoparticulates, clay minerals and carbon nanotubes are more often used in enhancing physical, mechanical and thermal properties of polymers. In very few systems, the nano particulates have been incorporated into polymer as {\textquoteleft}nano-additives{\textquoteright} for both purposes: degradation and stabilization of polymers. The degradation and durability of polymers is reviewed in the presence of nanoparticles/nanocomposites under different environmental conditions. Nanoparticle-induced biodegradation of polymers is also discussed. (c) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon nanotubes, clay, Degradation and stabilization, Nanocomposites, Nanoparticles, Polymer}, issn = {0079-6700}, doi = {10.1016/j.progpolymsci.2009.01.002}, author = {Kumar, Annamalai Pratheep and Depan, Dilip and Tomer, Namrata Singh and Singh, Raj Pal} } @article { ISI:000266524700010, title = {Nanostructured nickel ferrite: a liquid petroleum gas sensor}, journal = {Ceramics International}, volume = {35}, number = {5}, year = {2009}, month = {JUL}, pages = {1793-1797}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The present investigation deals with the synthesis of nanostructured nickel ferrite (NiFe(2)O(4)) and their liquid petroleum gas-sensing characteristics. The 15-20 nm size nickel ferrite has been synthesized at 700 degrees C by a simple molten-salt route using sodium chloride as grain growth inhibitor. These nanoparticles exhibit significantly high response towards liquid petroleum gas (LPG) in comparison with ethanol vapor, hydrogen sulfide, ammonia and hydrogen. The gas response towards various gases at their 200 ppm concentrations is investigated at 200-450 degrees C. Different characterization techniques have been employed, such as differential thermal analysis, X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high resolution transmission electron microscopy (HRTEM) to study the crystallite size, structure and morphology. The results suggest possibility of utilization of the nanostructured nickel ferrite, without addition of any precious metal ion, as the LPG detector. (c) 2008 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {Ferrites, nanomaterial, Sensor, Spinels}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2008.10.013}, author = {Darshane, Sonali L. and Suryavanshi, S. S. and Mulla, Imtiaz S.} } @article { ISI:000271819300006, title = {Natural yeast flora of different varieties of grapes used for wine making in India}, journal = {Food Microbiology}, volume = {26}, number = {8}, year = {2009}, month = {DEC}, pages = {801-808}, publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD}, address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND}, abstract = {

The natural Saccharomyces and non-Saccharomyces yeast flora present on the grape berries significantly affect wine production. Six grape varieties, Bangalore blue, Zinfandel, Cabernet, Chenin Blanc, Sauvignon Blanc and Shiraz are being used in India for wine making. The yeast diversity was studied on the basis of morphological, colony, physiological characteristics and 5.8S-ITS sequencing of rDNA of the isolates. Eleven different species belonging to seven genera were identified as: Candida azyma, Candida quercitrusa, Debaryomyces hansenii, Hanseniaspora guilliermondii, Hanseniaspora viniae, Hanseniaspora uvarum. Issatchenkia orientalis, Issatchenkia terricola, Pichia membranifaciens, Saccharomyces cerevisiae and Zygoascus steatolyticus. H. guilliermondii was the predominant species while S. cerevisiae was observed occasionally in the six vine varieties. For the first time, C. azyma was isolated from Bangalore blue and Cabernet varieties grown in different localities. This association may be attributed to the change in cropping pattern from sugarcane to viticulture in the vine growing regions and the known association of C. azyma with sugarcane phylloplane. Further analysis of the indigenous strains and the qualitative and quantitative changes in the flora during fermentation will be useful to understand wine quality and to design preservation strategies to control wine spoilage. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {5.8S-ITS sequence, Identification, Physiological, Wine yeasts}, issn = {0740-0020}, doi = {10.1016/j.fm.2009.05.005}, author = {Chavan, Pradnya and Mane, Sarika and Kulkarni, Girish and Shaikh, Shamim and Ghormade, Vandana and Nerkar, Devidas P. and Shouche, Yogesh and Deshpande, Mukund V.} } @article { ISI:000269310700020, title = {Non-templated hydrothermal growth of anisotropic magnetite nanostructures using hexamine as the directing agent}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {10}, year = {2009}, month = {OCT}, pages = {5823-5828}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Anisotropic growth of magnetite (Fe(3)O(4)) nanoparticles is achieved in a hydrothermal growth process using hexamine to play a dual role of oxide forming and directing agent. The samples are characterized by X-ray diffraction, scanning electron microscopy, high resolution transmission electron microscopy, squid magnetometry, ferromagnetic resonance technique, diffuse reflectance spectroscopy and Mossbauer spectroscopy, which collectively establish the formation of Fe(3)O(4) phase. Anisotropic structures such as nanorods and nanotubules are revealed and these are shown to exhibit good humidity sensing properties.

}, keywords = {Anisotropic Nanostructures, Hexamine, hydrothermal, magnetite, Mossbauer}, issn = {1533-4880}, doi = {10.1166/jnn.2009.1244}, author = {Bhagwat, S. V. and Jouen, Samuel and Kundaliya, D. C. and Singh, H. and Jagadale, Tushar C. and Athawale, A. A. and Lofland, S. E. and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @article { ISI:000263423600001, title = {Novel allylic phosphonium salts in free radical accelerated cationic polymerization}, journal = {Polymer Bulletin}, volume = {62}, number = {3}, year = {2009}, month = {MAR}, pages = {271-280}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

In the present study, the synthesis and evaluation of novel allylic phosphonium salts as addition fragmentation agents in combination of conventional (photo-/thermal) free radical source for cationic polymerization are described. The amide based allylic phosphonium salts, namely 2-(N, N-dimethylcaboxy-propenyl) triphenylphosphonium hexafluoroantimonate (DMTPH) and 2-(morpholinocarboxy-propenyl) triphenyl phosphonium hexafluoroantimonate (MTPH) were synthesized and characterized. The thermal and photo-latency of these salts was examined with and without free radical sources in bulk polymerization of cyclohexene oxide (CHO) salts at 70 A degrees C and lambda \> 290 nm irradiation, respectively. In presence of thermal free radical source, the order of activity was observed as PAT \> BPO \> AIBN. The order of activity of free radical sources on photopolymerization was found to be benzoin \> benzophenone \> TMDPO. In addition, photopolymerization of other cationically polymerizable monomers (such as n-butyl vinyl ether, isobutyl vinyl ether, N-vinyl carbazole and glycidyl phenyl ether) was also examined at lambda \> 290 nm irradiation. It is concluded that the rate of cationic polymerization can be accelerated using novel phosphonium salts with combination of free radical sources, by both thermal and photochemical mode.

}, keywords = {Addition fragmentation agent, Cationic polymerization, Initiator, phosphonium salt, Photopolymerization}, issn = {0170-0839}, doi = {10.1007/s00289-008-0014-y}, author = {Gupta, Mukesh Kumar and Singh, Raj Pal} } @article { ISI:000265422100069, title = {Novel dibenzocycloheptenyl phosphonium salts as thermolatent initiator in cationic polymerization}, journal = {Journal of Applied Polymer Science}, volume = {112}, number = {6}, year = {2009}, month = {JUN}, pages = {3707-3713}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

In this study, novel thermolatent cationic initiators based on dibenzocycloheptenyl phosphonium salts (1a, 1b, 1c, 1d, 2a, and 3a) were synthesized and their efficiency was examined in bulk polymerization of glycidyl phenyl ether (GPE). The polymerization of GPE was performed with 1 mol \% of dibenzocycloheptenyl triphenylphosphonium salts (1a-1d) with different counter anions (SbF(6)(-), PF(6)(-), AsF(6)(-), and BF(4)(-)) at 25-200 degrees C for 1 h. The order of initiator activity was found as 1a \> 1d \> 1b \> 1c. To examine the effect of phosphine moiety, the activity of la was compared with dibenzocycloheptenyl-tri-n-butylphosphonium hexafluoroantimonate (2a). The order of initiator activity was observed as 1a \> 2a. The initiator activity of la was compared with that of 10,11-dihydro-dibenzocycloheptenyltriphenylphosphonium hexafluoroantimonate (3a) to understand the effect of extended conjugation in dibenzocycloheptenyl ring. In general, with the increase in the polymerization temperature, conversion (\%) also increases. The solubility of initiators in various solvents and epoxy monomers was also examined. (C) 2009 Wiley Periodicals, Inc. J Appl Polym Sci 112: 3707-3713, 2009

}, keywords = {Cationic polymerization, glycidyl phenyl ether, initiators, phosphonium salt, thermolatent}, issn = {0021-8995}, doi = {10.1002/app.29518}, author = {Gupta, Mukesh Kumar and Singh, Raj Pal} } @article { ISI:000264925400047, title = {Novel electroless process for copper coating of flyash using titania/ultraviolet-radiation/metal catalyst-system}, journal = {Applied Surface Science}, volume = {255}, number = {13-14}, year = {2009}, month = {APR}, pages = {6696-6704}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel electroless process has been demonstrated in this investigation to coat the surface of flyash particles with a conducting metal such as copper. The conventional electroless process has been modified for this purpose by replacing the tin-palladium catalyst-system with the titania/ultraviolet-radiation/metal catalyst-system, where the metal is either copper or silver as demonstrated here. The mechanism of copper coating of flyash particles in an electroless bath, using the novel methods of surface-sensitization and surface-activation, has been systematically studied by monitoring changes in the surface-morphology, surface-chemistry, and surface-structure of flyash particles using the scanning electron microscope, energy dispersive analysis of X-rays, X-ray photoelectron spectroscope, and X-ray diffraction. It has been revealed that the novel electroless method involves coating the flyash particles with titania photocatalyst via sol-gel, which acts as a surface-sensitizer under the ultraviolet-radiation exposure for the subsequent surface-activation with the copper- or silver-clusters. The latter in turn acts as surface-catalyst for the subsequent Cu-coating in an electroless bath. The proposed mechanism of surface-sensitization and surface-activation of flyash particles using the novel catalyst-system has been compared with that using the conventional catalyst-system. (C) 2009 Elsevier B. V. All rights reserved.

}, keywords = {Copper, Electroless, Flyash, Photocatalysis, sol-gel, titania}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2009.02.066}, author = {Shijitha, T. and Baiju, K. V. and Shukla, S. and Patil, K. and Warrier, K. G. K.} } @article { ISI:000266674700038, title = {Novel foldamer structural architecture from cofacial aromatic building blocks}, journal = {Chemical Communications}, number = {23}, year = {2009}, month = {MAY}, pages = {3446-3448}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication demonstrates the utility of peri-substituted 1,8-diphenylnaphthalene as an effective building block for the construction of novel conformationally ordered synthetic oligomers displaying cofacial structural features.

}, issn = {1359-7345}, doi = {10.1039/b822113h}, author = {Prabhakaran, Panchami and Puranik, Vedavati G. and Chandran, Jima N. and Rajamohanan, Pattuparampil R. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000273174300036, title = {Novel/conceptual floating pulsatile system using high internal phase emulsion based porous material intended for chronotherapy}, journal = {AAPS Pharmscitech}, volume = {10}, number = {4}, year = {2009}, month = {DEC}, pages = {1368-1380}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The aim of the present study was to design a novel/conceptual delivery system using ibuprofen, anticipated for chronotherapy in arthritis with porous material to overcome the formulation limits (multiple steps, polymers, excipients) and to optimize drug loading for a desired release profile suitable for in vitro investigations. The objective of this delivery system lies in the availability of maximum drug amount for absorption in the wee hours as recommended. Drug loading using 3(2) factorial design on porous carrier, synthesized by high internal phase emulsion technique using styrene and divinylbenzene, was done via solvent evaporation using methanol and dichloromethane. The system was evaluated in vitro for drug loading, encapsulation efficiency, and surface characterization by scanning electron, atomic force microscopy, and customized drug release study. This study examined critical parameters such as solvent volume, drug amount, and solvent polarity on investigations related to drug adsorption and release mostly favoring low-polarity solvent dichloromethane. Overall release in all batches ranged 0.98-52\% in acidic medium and 71-94\% in basic medium. These results exhibit uniqueness in achieving the least drug release of 0.98\%, an ideal one, without using any release modifiers, making it distinct from other approaches/technologies for time and controlled release and for chronotherapy.

}, keywords = {chronotherapy, floating pulsatile drug delivery system, high internal phase emulsion, ibuprofen, multiparticulate porous carriers}, issn = {1530-9932}, doi = {10.1208/s12249-009-9331-1}, author = {Sher, Praveen and Ingavle, Ganesh C. and Ponrathnam, Surendra and Benson, James R. and Li, Nai-Hong and Pawar, Atmaram P.} } @article { ISI:000263073800056, title = {N,S-Co-doped TiO2 Nanophotocatalyst: synthesis, electronic structure and photocatalysis}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {1, SI}, year = {2009}, month = {JAN}, pages = {423-432}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

N,S-co-doped anatase-phase TiO2 (N,S-TiO2) nanophotocatalysts were prepared from either benzothiazoline or aminothiol with titanium isopropoxide followed by a systematic thermal decomposition. The chemical nature of S and N in N,S-TiO2 have been identified by XPS to be sulfate and NO-like, respectively. A significant band broadening and red-shift in the UV-visible absorption spectrum of N,S-TiO2 suggests a band gap reduction compared to TiO2. A maximum band-gap narrowing of 0.22 +/- 0.02 eV was observed on N,S-TiO2. Higher energy width observed on N,S-TiO2 is in contrast to 0.13 eV from N-doped TiO2 indicating the sulfate-like species might play a major role in narrowing the band-gap to a Higher level. It is confirmed that the oxidation of N and S to NO and SO42- occurs in the final stage of preparation of N,S-TiO2, during calcination in air. It is predicted that the oxygen associated with sulfate and NO structural features could be crucial in bringing down the energy gap and red shift in optical absorption and the role of sulfur is to facilitate the above. Photocatalytic decomposition of methylene blue has been carried out on N,S-TiO2 shows higher activity than the commercial TiO2 in the visible region. However, sulfate species seems to enhance the activity of N,S-TiO2 marginally compared to N-TiO2, and possible suggestions are given to improve the same.

}, keywords = {nitrogen, Photocatalyst, Sulfur, TiO2, Visible Light Absorption}, issn = {1533-4880}, doi = {10.1166/jnn.2009.J095}, author = {Sathish, M. and Viswanath, R. P. and Gopinath, Chinnakonda S.} } @article { ISI:000272010100009, title = {Optical investigations of interaction between zinc tetra phenyl porphyrin and CdSe nanoparticles}, journal = {Chemical Physics Letters}, volume = {483}, number = {4-6}, year = {2009}, month = {DEC}, pages = {227-232}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Interactions between nanoparticles of zinc tetra phenyl porphyrin (ZnTPP) with CdSe nanoparticles in dimethyl sulphoxide solvent have been investigated. A ZnTPP-CdSe complex was formed which showed substantial changes in the UV-Vis absorption spectra in the presence of CdSe. Fluorescence measurements showed an interesting behavior at low as well as high concentrations of CdSe. When low concentrations of CdSe nanoparticles were added to the ZnTPP nanoparticles solution, besides two fluorescence bands due to ZnTPP nanoparticles, an intense new band appeared. On the other hand at high concentrations of CdSe one of the fluorescence band of ZnTPP at similar to 604 nm increased. (C) 2009 Published by Elsevier B. V.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2009.10.074}, author = {Lihitkar, N. B. and Singh, S. B. and Singh, Jai and Srivastava, O. N. and Naik, R. H. and Kulkarni, S. K.} } @article { ISI:000272797200013, title = {Optical limiting properties of hydrophobic poly(etherimide) membranes embedded with isolated and aggregated gold nanostructures}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {352}, number = {1-3}, year = {2009}, month = {DEC}, pages = {79-83}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple method to incorporate spherical or aggregated nanostructures of gold into hydrophobic poly(etherimide) membranes is demonstrated and their comparative nonlinear optical properties are investigated. When excited at 532 nm using laser pulses of 7 ns duration, a reduced transmission behaviour in both the cases, viz., polymers embedded with isolated nanoparticles and their aggregates is observed. This fits to a three-photon type nonlinear absorption process and is attributed to excited state absorption occurring in the nanostructures. Interestingly, the nonlinearity is more prominent in the aggregated nanostructures compared to the spherical nanostructures. These materials are potential candidates for optical limiting applications. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {gold nanoparticles, Nanoparticle aggregation, Nonlinear optical properties, Optical limiting, Phase transfer, Polymer nanocomposites}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2009.10.002}, author = {D{\textquoteright}Britto, Virginia and Sandeep, C. S. Suchand and Philip, R. and Bhagavatula L. V. Prasad} } @article { ISI:000263491600003, title = {Oxidative kinetic resolution of alcohols using chiral Mn-salen complex immobilized onto ionic liquid modified silica}, journal = {Applied Catalysis A-General}, volume = {354}, number = {1-2}, year = {2009}, month = {FEB}, pages = {17-25}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The supported ionic liquid strategy has been applied for the immobilization of chiral Mn(III) salen complex onto ionic liquid modified silica. Chiral Mn(III) salen complex was immobilized over silica through a thin film of covalently anchored imidazolium ionic liquid. These catalysts were characterized by N(2) sorption, XRD, MR, DRUV-vis, and elemental analysis. The results showed that the chiral Mn(III) salen complex could be successfully immobilized onto the modified mesoporous materials and that the long-range mesoporous ordering of parent supports was maintained after the immobilization. The immobilized catalyst provided good enantioselectivity and activity in the heterogeneous catalysis of the oxidative kinetic resolution of secondary alcohol and can be recovered and recycled for four times without obvious loss of enantioselectivity and activity. Oxidative kinetic resolutions of meso-diols, hydroxyl ester and primary alcohol were also studied using this catalyst system. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Mesoporous silica, Mn(III) salen, Oxidative kinetic resolution, Secondary alcohol, Supported ionic liquid}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.10.039}, author = {Sahoo, Suman and Kumar, Pradeep and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000264627400028, title = {Pd(II)-mediated alkynediol spiroketalization: first total synthesis of (-)-cephalosporolide E and (+)-cephalosporolide F}, journal = {Journal of Organic Chemistry}, volume = {74}, number = {7}, year = {2009}, month = {APR}, pages = {2842-2845}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Herein we describe a concise assembly of the central 1.6-dioxaspiro[4.4]nonane core of cephalosporolides E/F by employing a Pd-mediated alkynediol cycloisomerization and their total synthesis. On the basis of spectroscopic data and optical rotation values, the absolute configurations of cephalosporolides E/F were proposed.

}, issn = {0022-3263}, doi = {10.1021/jo802539z}, author = {Ramana, C. V. and Suryawanshi, Sharad B. and Gonnade, Rajesh G.} } @article { ISI:000268508900011, title = {Pd-mediated intramolecular ketalization of alkynediols: construction of the central [3.2.1]-bicyclic ketal core of cyclodidemniserinol trisulfate}, journal = {Tetrahedron Letters}, volume = {50}, number = {34}, year = {2009}, month = {AUG}, pages = {4844-4847}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A preliminary study dealing with the Pd-mediated alkynediol cycloisomerization to construct the central bicyclic ketal core of cyclodidemniserinol trisulfate is documented. (c) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Alkynol cycloisomerization, Bridged bicyclic ketal, Cyclodidemniserinol trisulfate, Yamaguchi oxirane-alkyne coupling}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.06.023}, author = {Ramana, C. V. and Mallik, Rosy and Sahoo, Gokarneswar} } @article { ISI:000266094300033, title = {Phase behavior of hydrogenation of 2-tert-butylphenol over a charcoal-supported rhodium catalyst in carbon dioxide solvent}, journal = {Journal of Chemical and Engineering Data}, volume = {54}, number = {5}, year = {2009}, month = {MAY}, pages = {1610-1612}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Catalytic hydrogenation of 2-tert-butyl phenol over a charcoal-supported rhodium catalyst in carbon dioxide solvent at 313 K was studied in a batch reactor. To elucidate the effect of carbon dioxide pressure on the initial rate of reaction, the phase behavior of the ternary (2-tert-butylphenol-carbon dioxide-hydrogen) system was separately observed with a view cell, and the calculations of vapor-liquid equilibrium and compositions in the vapor and liquid phases inside the reactor were carried out using the Peng-Robinson equation of state. The hydrogenation behavior in the carbon dioxide solvent is discussed based on the phase behavior of the ternary system.

}, issn = {0021-9568}, doi = {10.1021/je800932w}, author = {Hiyoshi, Norihito and Masuda, Yoshio and Sato, Osamu and Yamaguchi, Aritomo and Rode, Chandrashekhar V. and Shirai, Masayuki} } @article { ISI:000264437500025, title = {Photocatalytic mineralization of benzene over gold containing titania nanotubes: role of adsorbed water and nanosize gold crystallites}, journal = {Catalysis Today}, volume = {141}, number = {1-2}, year = {2009}, note = {18th National Symposium and Indo-US Seminar on Catalysis, Indian Inst Petroleum, Dehradun, INDIA, APR 16-18, 2007}, month = {MAR}, pages = {144-151}, publisher = {Catalysis Soc India; Petrotech Soc; Indo US Sci \& Technol Forum}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Well aligned titania nanotubes, with surface area of similar to 150 m(2) g(-1) and average pore diameter of similar to 5 nm, have been synthesized by subjecting a mesoporous TiO(2) sample to alkaline treatment followed by calcination at different temperatures. Composite catalysts with gold particles dispersed in these nanotubes were also synthesized and their structural, morphological, optical and photocatalytic properties were examined. The catalytic activity of TiO(2) for UV-mediated photo-oxidation of benzene was found to be affected by several factors, such as the sample texture. presence of adsorbed water and gold crystallites. The overall conversion of benzene to form CO(2) followed a trend: Au/nanotube \> TiO(2) nanotubes \> mesoporous TiO(2). In situ IR spectroscopy revealed that the adsorption and reaction of benzene molecules gave rise to formation of certain phenolic species over TiO(2), while the temperature-programmed desorption (TPD) study showed that the Au/TiO(2) interfaces serve as distinct sites for the adsorption and activation of oxygen molecules. It is suggested that certain hydroxyl and oxygen ion radicals produced under UV-irradiation may promote the deep oxidation of surface phenolic species and phenoxyl (ArO center dot) type transient radicals. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Benzene degradation, Gold containing, Photocatalyst, Role of adsorbed water, TiO(2) nanotubes, Transient species}, issn = {0920-5861}, doi = {10.1016/j.cattod.2008.04.008}, author = {Awate, S. V. and Sahu, R. K. and Kadgaonkar, Mahesh D. and Kumar, R. and Gupta, N. M.} } @article { ISI:000267416000001, title = {Photodegradation of EPDM/MWCNT nanocomposites: effect of singlet oxygen}, journal = {Polymer Composites}, volume = {30}, number = {7}, year = {2009}, month = {JUL}, pages = {855-860}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

The photo-oxidation of ethylene propylene diene monomer (EPDM)/multiwall carbon nanotubes (MWCNT) nanocomposites has been studied under accelerated UV-irradiation (lambda \>= 290 nm) in the presence of singlet oxygen. The rate of photodegradation of EPDM/MWCNT is found to be higher when compared to the pristine polymer in presence of singlet oxygen. The enhancement of the rate of degradation of composite has been described through [2 + 2] photocycloaddition reaction between singlet oxygen and double bonds on composite which is followed by cleavage. The rate of degradation and the formation of new functional groups on the composite has been monitored by FTIR spectroscopy and found to be increased with irradiation time. The changes in surface morphology have been studied by scanning electron microscope. Differential scanning calorimetry measurements revealed an increase in the glass transition temperature of photodegraded EPDM and EPDM/MWCNT nanocomposites. POLYM. COMPOS., 30:855-860, 2009. (C) 2008 Society of Plastics Engineers

}, issn = {0272-8397}, doi = {10.1002/pc.20646}, author = {Kumar, Bijandra and Kumar, Indresh and Singh, R. P.} } @article { ISI:000262435000012, title = {Phylogenetic analysis, homology modelling, molecular dynamics and docking studies of caffeoyl-CoA-O- methyl transferase (CCoAOMT 1 and 2) isoforms isolated from subabul (Leucaena leucocephala)}, journal = {Journal of Molecular Modeling}, volume = {15}, number = {2}, year = {2009}, month = {FEB}, pages = {203-221}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Caffeoyl coenzyme A O-methyltransferase (CCoAOMT) is an important enzyme that participates in lignin biosynthesis especially in the formation of cell wall ferulic esters of plants. It plays a pivotal role in the methylation of the 3-hydroxyl group of caffeoyl CoA. Two cDNA clones that code CCoAOMT were isolated earlier from subabul and in the present study; 3D models of CCoAOMT1 and CCoAOMT2 enzymes were built using the MODELLER7v7 software to find out the substrate binding sites. These two proteins differed only in two amino acids and may have little or no functional redundancy. Refined models of the proteins were obtained after energy minimization and molecular dynamics in a solvated water layer. The models were further assessed by PROCHECK, WHATCHECK, Verify_3D and ERRAT programs and the results indicated that these models are reliable for further active site and docking analysis. The refined models showed that the two proteins have 9 and 10 alpha-helices, 6 and 7 beta-sheets respectively. The models were used for docking the substrates CoA, SAM, SAH, caffeoyl CoA, feruloyl CoA, 5-hydroxy feruloyl CoA and sinapyl CoA which showed that CoA and caffeoyl CoA are binding with high affinity with the enzymes in the presence and absence of SAM. It appears therefore that caffeoyl CoA is the substrate for both the isoenzymes. The results also indicated that CoA and caffeoyl CoA are binding with higher affinity to CCoAOMT2 than CCoAOMT1. Therefore, CCoAOMT2 conformation is thought to be the active form that exists in subabul. Docking studies indicated that conserved active site residues Met58, Thr60, Val63, Glu82, Gly84, Ser90, Asp160, Asp162, Thr169, Asn191 and Arg203 in CCoAOMT1 and CCoAOMT2 enzymes create the positive charge to balance the negatively charged caffeoyl CoA and play an important role in maintaining a functional conformation and are directly involved in donor-substrate binding.

}, keywords = {Caffeoyl-CoA 3-O-methyl transferase, docking, Modelling, S-adenosyl homocysteine}, issn = {1610-2940}, doi = {10.1007/s00894-008-0395-8}, author = {Pagadala, Nataraj Sekhar and Arha, Manish and Reddy, P. S. and Kumar, Ranadheer and Sirisha, V. L. and Prashant, S. and Reddy, K. Janardhan and Khan, Bashir Mohammad and Rawal, S. K. and Kishor, P. B. Kavi} } @article { ISI:000263332200056, title = {Polyimides based on aromatic diisocyanates containing pendent flexible alkoxy chains and aromatic dianhydrides: synthesis, characterization, and liquid-crystal alignment properties}, journal = {Journal of Applied Polymer Science}, volume = {112}, number = {1}, year = {2009}, month = {APR}, pages = {461-472}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Four new aromatic diisocyanates containing pendent flexible alkoxy chains, namely, 5-butyloxy-1,3-phenylenediisocyanate, 5-octyloxy-1,3-phenylenediisocyanate, 5-dodecyloxy-1,3-phenylenediisocyanate, and 5-hexadecyloxy-1,3-phenylenediisocyanate, were synthesized by Curtius rearrangement of the corresponding 5-alkoxy-1,3-phenylene diacylazides. These diisocyanates were each polycondensed with three commercially available aromatic dianhydrides: 4,4{\textquoteright}-oxydiphthalic anhydride, 3,3{\textquoteright},4,4{\textquoteright}-(hexafluoroisopropylidene) diphthalic anhydride, and 3,3{\textquoteright},4,4{\textquoteright}-benzophenonetetracarboxylic dianhydride-in benzonitrile in the presence of 1,4-dizabicyclo[2.2.2]octane as a catalyst to obtain a series of polyimides with inherent viscosities in the range 0.16-0.43 dL/g. Except for 3,3{\textquoteright},4, 4{\textquoteright}-benzophenonetetracarboxylic dianhydride based polyimides, all of the polyimides were found to be soluble in dichloromethane, m-cresol, 1-methyl-2-pyrrolidinone, tetra-chloroethane, and pyridine either at room temperature or on heating and could be cast into tough, flexible, transparent films from a solution in in-cresol or tetra chloroethane. X-ray diffractograms revealed that the polyimides with longer alkoxy chains had layered structures. The glass-transition temperature of the polyimides containing pendent flexible alkoxy chains were in the range 159-246 degrees C as measured by differential scanning calorimetry. The temperature for the 10\% weight loss of the polyimides was in the range 410-460 degrees C in a nitrogen atmosphere, which indicated good thermal stability. A pretilt angle of 2.97 degrees was observed for the polyimide derived from 5-octyloxy-1,, 3-phenylenediisocyanate and 4,4{\textquoteright}-oxydiphthalic anhydride. (c) 2009 Wiley Periodicals, Inc. J Appl Polym Sci 112: 461-472, 2009

}, keywords = {High performance polymers, polyimides, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.29388}, author = {Sarkar, Anjana and Halhalli, Mahadeo R. and Kulkarni, Arun D. and Wadgaonkar, Prakash P.} } @article { ISI:000270471100021, title = {Porous anisotropic metal nanostructures through controlled transmetallation across a dialysis membrane}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {11}, year = {2009}, month = {NOV}, pages = {6401-6408}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Nanostructured metals with hollow interiors are of technological importance due to their unique optoelectronic properties and enhanced surface area. We describe herein, a novel method for the synthesis of anisotropic gold and palladium nanoparticles through a simple galvanic replacement reaction across a semi-permeable dialysis membrane. The control over the reaction kinetics achieved by the presence of membrane enables one to tune the bimetal composition, particle porosity and morphology. Rapid outward diffusion of silver ions generated from the sacrificial silver nanoparticles even at room temperatures prevents the precipitation of high quantities of silver chloride, thereby circumventing the need for product purification. The porous anisotropic nanostructures have potential applications in catalysis, cell imaging and therapeutics.

}, keywords = {Ag/Pd Nanostructures, Anisotropic Nanoparticles, Dialysis, Galvanic Replacement, Porous nanostructures, Silver Nanotriangles, Silver Nanowires, Transmetallation}, issn = {1533-4880}, doi = {10.1166/jnn.2009.1350}, author = {Shukla, Sourabh and Pasricha, Renu and Sastry, Murali} } @article { ISI:000266447600030, title = {Preparation and characterization of rhodium nanostructures through the evolution of microgalvanic cells and their enhanced electrocatalytic activity for formaldehyde oxidation}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {22}, year = {2009}, month = {JUN}, pages = {9616-9622}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Shape-controlled morphological evolution of nanostructured Rh has been demonstrated with the help of a galvanic displacement reaction using Al in 1 mM aqueous Rh(III) chloride at an open circuit potential 0.99 V and at a temperature of 273 K (room temperature). Nanospheres composed of small nanoparticles of size around 2.9 +/- 0.4 nm having uniform distribution with a FCC pattern have been evolved during the course of the reaction. Electrochemical results coupled with structural and morphological characterization data from transmission electron microscopy (TEM), scanning electron microscopy (SEM), X-ray diffraction (XRD), and cyclic voltammetry (CV) suggested the formation of Rh nanostructures. Considering the role of the potential of substrate Al and Rh and diffusion of reactant and product species toward and from the surface of the Al, we proposed the tentative mechanism for the formation of microgalvanic cell. Significantly, these: rhodium nanostructures exhibit enhanced electrocatalytic activity toward many fuel cell reactions as demonstrated by formaldehyde oxidation in 0.5 M NaOH. The present strategy is expected to be valid for preparing many other similar electrocatalysts (Pt, Au, and Pd) capable of exhibiting such a remarkable size- and shape-dependent reactivity.

}, issn = {1932-7447}, doi = {10.1021/jp901055v}, author = {Sathe, Bhaskar R. and Shinde, Dhanraj B. and Pillai, Vijayamohanan K.} } @article { ISI:000264434000020, title = {Preparation and nonisothermal crystallization behavior of polypropylene/layered double hydroxide nanocomposites}, journal = {Polymer}, volume = {50}, number = {6}, year = {2009}, month = {MAR}, pages = {1505-1515}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Polypropylene (PP)/layered double hydroxide (LDH) nanocomposites were prepared via melt intercalation using dodecyl sulfate anion modified LDH and maleated PP as compatibilizing agent. Evidently the interlayer anions in LDH galleries react with maleic anhydride groups of PP-g-MA and lead to a finer dispersion of individual LDH layers in the PP matrix. The nanostructure was characterized by XRD and TEM; the examinations confirmed the nanocomposite formation with exfoliated/intercalated layered double hydroxides well distributed in the PP matrix. The nonisothermal crystallization behavior of resulting nanocomposites was extensively studied using differential scanning calorimetry (DSC) technique at various cooling rates. In nonisothermal crystallization kinetics, the Ozawa approach failed to describe the crystallization behavior of nanocomposites, whereas the Avrami analysis and Jeziorny method well define the crystallization behavior of PP/LDH nanocomposite. Combined Avrami and Ozawa analysis (Liu model) also found useful. The results revealed that very small amounts of LDH (1\%) could accelerate the crystallization process relative to the pure PP and increase in the crystallization rates was attributed to the nucleating effect of the nanoparticles. Polarized optical microscopy (POM) observations also support the DSC results. The effective crystallization activation energy was estimated as a function of the relative degree of crystallinity using the isoconversional analysis. Overall, results indicated that the LDH particles in nanometer size might act as nucleating agent and distinctly change the type of nucleation, growth and geometry of PP crystals. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Layered double hydroxide, Nonisothermal crystallization kinetics, Polypropylene nanocomposites}, issn = {0032-3861}, doi = {10.1016/j.polymer.2009.01.031}, author = {Lonkar, Sunil P. and Morlat-Therias, Sandrine and Caperaa, N. and Leroux, Fabrice and Gardette, Jean Luc and Singh, R. P.} } @article { ISI:000263733200011, title = {Preparation of nearly monodisperse nickel nanoparticles by a facile solution based methodology and their ordered assemblies}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {9}, year = {2009}, month = {MAR}, pages = {3426-3429}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nickel nanoparticles have been synthesized by a simple wet chemical reduction technique in the presence of a surfactant sodium dodecyl sulfate (SDS) and a capping agent oleic acid. Varying the concentration of the surfactant and the capping agent has been found to critically govern the nature of the nanoparticles prepared. It is observed that at an optimum concentration of SDS and oleic acid, nearly monodisperse Ni nanoparticles are obtained that form highly ordered hexagonally close-packed structures on electron microscopy grids by a simple drop coating procedure. It is also shown that the presence of oleic acid is necessary for the stability of the Ni nanoparticles synthesized. Structural and magnetic characterizations of the nanoparticles are also presented.

}, issn = {1932-7447}, doi = {10.1021/jp807542w}, author = {Sidhaye, Deepti S. and Bala, Tanushree and Srinath, S. and Srikanth, H. and Poddar, Pankaj and Sastry, Murali and Bhagavatula L. V. Prasad} } @article { ISI:000275134900013, title = {Probing differential Ag+-nucleobase interactions with isothermal titration calorimetry (ITC): towards patterned DNA metallization}, journal = {Nanoscale}, volume = {1}, number = {1}, year = {2009}, month = {OCT}, pages = {122-127}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

DNA has been Successfully used as a scaffold for the fabrication of metallic nanowires, primarily based oil the electrostatic complexation and reduction of the metal cations on the negatively charged sugar-phosphate backbone. Here. we probe the differential binding affinities of nucleobases for silver ions using sensitive isothermal titration calorimetry (ITC) measurements of the reaction enthalpies, which go in order: C \> G \> A \>= T. Using the disparity between the interaction of cytosine (strong binding) and thymine (weak binding) with silver ions, we have successfully generated silver nanoparticle doublets and triplets on custom-made oligonucleotides, C-30-T-40-C-30 and C-20-T-20-C-20-T-20-C-20, respectively. Thus, it new and simple method of generating metallized DNA wires is presented, based entirely on the nucleotide sequence of DNA. The concept could be extended to other cations and complex DNA sequences in order to achieve intricately patterned DNA constructs.

}, issn = {2040-3364}, doi = {10.1039/b9nr00004f}, author = {Shukla, Sourabh and Sastry, Murali} } @article { ISI:000272302200009, title = {Production, purification, and characterization of taxol and 10-DABIII from a new endophytic fungus gliocladium sp isolated from the Indian yew tree, taxus baccata}, journal = {Journal of Microbiology and Biotechnology}, volume = {19}, number = {11}, year = {2009}, month = {NOV}, pages = {1342-1347}, publisher = {KOREAN SOC MICROBIOLOGY \& BIOTECHNOLOGY}, address = {KOREA SCI TECHNOL CENTER \#507, 635-4 YEOGSAM-DONG, KANGNAM-GU, SEOUL 135-703, SOUTH KOREA}, abstract = {

We have isolated endophytic fungi from the Indian yew tree, Taxus baccata, and then screened for taxol production. Out of the 40 fungal cultures screened, one fungus Gliocladium sp. was found to produce taxol and 10-DABIII (10-deacetyl baccatin III). These compounds were purified by TLC and HPLC and characterized using UV-spectroscopy, ESI-MS, MS/MS, and proton NMR. One liter of Gliocladium sp. culture yielded 10 mu g of taxol and 65 mu g of 10-DABIII. The purified taxol from the fungus showed cytotoxicity towards cancer lines HL-60 (leukemia), A431 (epidermal carcinoma), and MCF-7 (breast cancer).

}, keywords = {10 DAB III, Endophytic fungi, Gliocladium sp., Taxol, Taxus baccata}, issn = {1017-7825}, doi = {10.4014/jmb.0904.04041}, author = {Sreekanth, D. and Syed, A. and Sarkar, S. and Sarkar, Dhiman and Santhakumari, B. and Ahmad, Absar and Khan, Mohammad Islam} } @article { ISI:000261921400006, title = {Proline-catalyzed simple and efficient synthesis of 1,8-dioxo-decahydroacridines in aqueous ethanol medium}, journal = {Synthetic Communications}, volume = {39}, number = {2}, year = {2009}, month = {DEC}, pages = {PII 907127919}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Proline-catalyzed synthesis of 1,8-dioxo-decahydroacridines is achieved via one-pot, three-component condensation of aromatic aldehydes, cyclic diketone, and aryl amines in aqueous ethanol medium. This method offers the advantages of proceeding in neutral and mild conditions, giving high to excellent yields of acridines with easy workup procedure.

}, keywords = {1, 8-dioxodecahydroacridines, aqueous media, one-pot MCR, Proline}, issn = {0039-7911}, doi = {10.1080/00397910802044306}, author = {Venkatesan, K. and Pujari, Suresh S. and Srinivasan, Kumar V.} } @article { ISI:000271103500037, title = {Quantitative structure-property relationship (QSPR) prediction of liquid viscosities of pure organic compounds employing random forest regression}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9708-9712}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A quantitative structure-property relationship (QSPR) approach was used to develop a predictive model for viscosities of pure organic liquids using a set of 403 compounds that belong to diverse classes of organic chemicals. A pool of 116 descriptors that encode topostructural, topochemical, electrotopological, geometrical, and quantum chemical properties of the organic compounds was used to develop QSPR models, based on the robust Random Forest (RF) regression algorithm. The performance of the algorithm, in terms of correlation coefficients and mean square errors, was determined to be good. The capability of the algorithm to build models and select the most-informative features simultaneously is very useful for several quantitative structure-activity/property relationship tasks. The eight most-dominant features selected by the RF regression algorithm primarily contained predictors that encode characteristics of atoms and groups that form hydrogen bonds, as well as factors involving molecular shape and size.

}, issn = {0888-5885}, doi = {10.1021/ie8018406}, author = {Rajappan, Remya and Shingade, Prashant D. and Natarajan, Ramanathan and Jayaraman, Valadi K.} } @article { ISI:000264437500011, title = {Redox and selective oxidation properties of Mn complexes grafted on SBA-15}, journal = {Catalysis Today}, volume = {141}, number = {1-2}, year = {2009}, note = {18th National Symposium and Indo-US Seminar on Catalysis, Indian Inst Petroleum, Dehradun, INDIA, APR 16-18, 2007}, month = {MAR}, pages = {66-71}, publisher = {Catalysis Soc India; Petrotech Soc; Indo US Sci \& Technol Forum}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Manganese complexes of 5,10,15,20-tetraphenylporphyrin (Mn(TPP)Cl) were grafted on SBA-15 functionalized with propyl-amine, -thiol and -sulfonic acid groups. The acido-basic properties of the support influenced the oxidation state, redox behavior and selective oxidation properties of the Mn complexes. Acidic supports (SBA-15-pr-SH and SBA-15-pr-SO(3)H) promoted the reduction of Mn ions in Mn-TPP complexes from 3+ to 2+ oxidation state. A similar behavior was found also when Mn(Salen)Cl complexes were immobilized on those supports. However, the extent of such facile reduction was more in the case of Mn-TPP than in Mn-Salen complexes. The former exhibited superior catalytic activity (turnover frequency) than the latter-type Mn complexes in regio-, stereo- and chemoselective oxidation of R-(+)-limonene with molecular oxygen (1 atm) at ambient temperatures. The catalytic oxidation activity correlates with the redox behavior of the grafted Mn complexes. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Grafted manganese complexes, Mn(Salen)Cl, Mn(TPP)Cl, Organo-functionalized SBA-15, Redox behavior of Mn, Selective oxidation of limonene}, issn = {0920-5861}, doi = {10.1016/j.cattod.2008.03.014}, author = {Saikia, Lakshi and Srinivas, D.} } @article { ISI:000264206200011, title = {Regioselective O-acylation of myo-inositol 1,3,5-orthoesters: dependence of regioselectivity on the stoichiometry of the base}, journal = {Tetrahedron}, volume = {65}, number = {13}, year = {2009}, month = {MAR}, pages = {2703-2710}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A metal mediated unusual 1-3 acyl migration from C4-O to C2-OH of myo-inositol 1,3,5-orthoformate was observed during the alkylation of racemic 4-O-benzoyl-myo-inositol 1,3,5-orthoformate. This has been exploited for the selective esterification of either the C4(6)-OH or the C2-OH of myo-inositol by varying the amount of the base used. While the use of 1 equiv of the base (sodium hydride or potassium tert-butoxide) for the acylation of myo-inositol orthoesters gives the corresponding C4-ester exclusively, the use of two or more equivalents of base for the same reaction gives the C2-ester exclusively. The relatively higher stability of the alkoxide of racemic 2-O-acyl-myo-inositol 1,3,5-orthoester as compared to the alkoxide of 4-O-acyl-myo-inositol 1,3,5-orthoester is suggested to be responsible for the observed isomerization. (c) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Acylation, Cyclitol, Inositol, Orthoester, Regioselectivity, transesterification}, issn = {0040-4020}, doi = {10.1016/j.tet.2009.01.060}, author = {Sureshan, Kana M. and Devaraj, Subramanian and Shashidhar, Mysore S.} } @article { ISI:000267728000002, title = {Relative reactivity of hydroxyl groups in inositol derivatives: role of metal ion chelation}, journal = {Carbohydrate Research}, volume = {344}, number = {10}, year = {2009}, month = {JUL}, pages = {1159-1166}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

O-Alkylation of myo-inositol derivatives containing more than one hydroxyl group via their alkali metal alkoxides (sodium or lithium) preferentially occurs at a hydroxyl group having a vicinal cis-oxygen atom. In general the observed selectivity is relatively higher for lithium alkoxides than for the corresponding sodium alkoxide. The observed regioselectivity is also dependent on other factors such as the solvent and reaction temperature. A perusal of the results presented in this article as well as those available in the literature suggests that chelation of metal ions by inositol derivatives plays a significant role in the observed regioselectivity. Steric factors associated with the axial or equatorial disposition of the reacting hydroxyl groups do not contribute much to the outcome of these O-alkylation reactions. These results could serve as guidelines in planning synthetic strategies involving other carbohydrates and their derivatives. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Carbohydrate, Chelation, Cyclitol, Inositol, Protecting group}, issn = {0008-6215}, doi = {10.1016/j.carres.2009.04.007}, author = {Devaraj, Subramanian and Jagdhane, Rajendra C. and Shashidhar, Mysore S.} } @article { ISI:000268401300001, title = {Responses of midgut amylases of Helicoverpa armigera to feeding on various host plants}, journal = {Journal of Insect Physiology}, volume = {55}, number = {8}, year = {2009}, month = {AUG}, pages = {663-670}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Midgut digestive amylases and proteinases of Helicoverpa armigera, a polyphagous and devastating insect pest of economic importance have been studied. We also identified the potential of a sorghum amylase inhibitor against H. armigera midgut amylase. Amylase activities were detected in all the larval instars, pupae, moths and eggs; early instars had lower amylase levels which steadily increased up to the sixth larval instar. Qualitative and quantitative differences in midgut amylases of H. amigera upon feeding on natural and artificial diets were evident. Natural diets were categorized as one or more members of legumes, vegetables, flowers and cereals belonging to different plant families. Amylase activity and isoform patterns varied depending on host plant and/or artificial diet. Artificial diet-fed H. armigera larvae had comparatively high amylase activity and several unique amylase isoforms. Correlation of amylase and proteinase activities of H. armigera with the protein and carbohydrate content of various diets suggested that H. armigera regulates the levels of these digestive enzymes in response to macromolecular composition of the diet. These adjustments in the digestive enzymes of H. armigera may be to obtain better nourishment from the diet and avoid toxicity due to nutritional imbalance. H. armigera, a generalist feeder experiences a great degree of nutritional heterogeneity in its diet. An investigation of the differences in enzyme levels in response to macronutrient balance and imbalance highlight their importance in insect nutrition. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Amylase inhibitors, Diet, Helicoverpa armigera larvae, Midgut amylase, Proteinases}, issn = {0022-1910}, doi = {10.1016/j.jinsphys.2009.05.004}, author = {Kotkar, Hemlata M. and Sarate, Priya J. and Tamhane, Vaijayanti A. and Gupta, Vidya S. and Giri, Ashok P.} } @article {42778, title = {Responsive assemblies and microgel-based materials}, journal = {Chemical Society Reviews}, volume = {38}, year = {2009}, month = {2009}, pages = {865-874}, author = {Lyon, L. Andrew and Meng, Z. and Singh, Neetu and Sorrell, C. D. and John, A.} } @article { ISI:000264437500028, title = {Ru(II)-Chiral (1R,2S)-(+)-cis-1-amino-2-indanol immobilized over SBA-15 for asymmetric transfer hydrogenation reaction of prochiral ketones}, journal = {Catalysis Today}, volume = {141}, number = {1-2}, year = {2009}, note = {18th National Symposium and Indo-US Seminar on Catalysis, Indian Inst Petroleum, Dehradun, INDIA, APR 16-18, 2007}, month = {MAR}, pages = {161-167}, publisher = {Catalysis Soc India; Petrotech Soc; Indo US Sci \& Technol Forum}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Mesoporous SBA-15 (Santa Barbara University at California) has been synthesized and functionalized with (4-chloromethyl)phenyltriethoxysilane, there after the surface silanols groups were passivated by dimethoxydimethylsilane (MeO(2)Me(2)Si) [Bz-SBA-15]. Further (1R,2S)-(+)-cis-1-amino-2-indanol [AIL] has been immobilized over functionalized SBA-15 (BzAIL-SBA-15). The heterogeneous catalysts were synthesized by complexation of BzAIL-SBA-15 by [RuCl(2)(benzene)](2) and [RuCl(2)(p-cymene)](2) in 2-propanol at reflux condition designated as Ru-Bn-BzAIL-SBA-15 (Ru-1) and Ru-Cy-BzAIL-SBA-15 (Ru-2). The synthesized materials have been characterized by small angle X-ray diffraction spectroscopy (SAXS), N(2) adsorption-desorption isotherms, Fourier Transformed-Infra-red (FT-IR) spectroscopy, Transmission Electron Microscopy (TEM), intensively Coupled plasma atomic emission spectroscopy (ICP-AES), Diffuse reflectance UV-vis and (13)C CP MAS NMR analysis. Further the synthesized and characterized materials (Ru-1 and Ru-2) have been successfully applied in the asymmetric transfer hydrogenation (ATH) reaction of simple prochiral ketones, which gave a yield of 56\% and 18\% and enantiomeric excess (ee) values of 62\% and 77\% for Ru-1 and Ru-2, respectively, after 1 h for acetophenone. The reusability studies showed approximately the same enantiomeric excess value at lower conversions. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {(1R, 2S)-(+)-Cis-1-amino-2-indanol, Asymmetric transfer hydrogenation, Chiral amino alcohols, Mesoporous molecular sieve, Prochiral ketones, SBA-15}, issn = {0920-5861}, doi = {10.1016/j.cattod.2008.04.003}, author = {Parambadath, Surendran and Singh, A. P.} } @article { ISI:000263509700027, title = {Selective oxidation of benzyl alcohol over copper phthalocyanine immobilized on MCM-41}, journal = {Catalysis Letters}, volume = {128}, number = {3-4}, year = {2009}, month = {MAR}, pages = {434-442}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Copper phthalocyanine (CuPc) complexes immobilized on {\textquoteleft}{\textquoteleft}neat{\textquoteright}{\textquoteright} and Ti(4+) and Al(3+) containing MCM-41 mimic the functionality of metalloenzymes. These novel materials catalyze the oxidation of benzyl alcohol to selectively benzaldehyde at moderate temperatures using peroxides and molecular oxygen as oxidant. Electron paramagnetic resonance and X-ray photoelectron spectroscopic studies revealed that the acidity of the support (MCM-41) influences the electronic structure of the immobilized CuPc. On acidic supports a part of copper in CuPc got reduced from a {\textquoteleft}{\textquoteleft}formal{\textquoteright}{\textquoteright} +2 to +1 oxidation state. This reduction of copper in its oxidation state on different supports decreased in the order: Al-MCM-41 (Bronsted and strong Lewis acid sites) \> MCM-41 (silanol sites) \> Ti-MCM-41 (weak Lewis acid sites). A linear variation in catalytic activity with the concentration of Cu(1+) ions in different catalyst samples was observed. The study reveals that by suitably modifying the acidic properties of the support one can, in principle, fine-tune the electronic and catalytic properties of the active oxidation sites.

}, keywords = {Copper phthalocyanine, EPR, MCM-41, Selective oxidation of benzyl alcohol, UV-visible spectroscopy}, issn = {1011-372X}, doi = {10.1007/s10562-008-9770-4}, author = {Hamza, A. and Srinivas, D.} } @article { ISI:000264437500002, title = {Selective oxidations over zeolite- and mesoporous silica-based catalysts: selected examples}, journal = {Catalysis Today}, volume = {141}, number = {1-2}, year = {2009}, note = {18th National Symposium and Indo-US Seminar on Catalysis, Indian Inst Petroleum, Dehradun, INDIA, APR 16-18, 2007}, month = {MAR}, pages = {3-11}, publisher = {Catalysis Soc India; Petrotech Soc; Indo US Sci \& Technol Forum}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Selective oxidation of hydrocarbons/terpenes in the liquid phase are reported over three categories of zeolite- and mesoporous silica-based catalysts: (1) transition metal complexes (metal phthalocyanines, copper acetate dimers and Co/Mn acetate trimer) encapsulated in zeolite-Y, (2) transition metal complexes (Mn-Salen), grafted on SBA-15, and (3) transition metal ions in framework positions of zeolites and mesoporous molecular sieves like Ti-silicates. Upon heterogenization, the metal complexes exhibited enhanced catalytic acitivity/selectivity. The causes for the enhanced catalytic activity/product selectivity have been explored. Dimer formation (copper acetate) or geometric distortion in the zeolite cavities (metal phthalocyanines) and consequent changes in energy levels and redox potentials are shown to modify the catalytic activity (in the selective oxidation of hydrocarbons) of the encapsulated metal complexes. In the case of Mn-Salen grafted on SBA-15, increasing the acidity of the siliceous surface (by -SO(3)H groups, for example) leads to a more facile reduction of the Mn ions and, thereby, enhanced catalytic activity in the selective epoxidation of limonene. When Ti ions are introduced in framework positions, reactive metal-oxo species are formed on contact with H(2)O(2) or O(2), Which influence the mode of O-O cleavage (heterolytic/homolytic) and product selectivity. The structure-function relationships in these catalysts are reported. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Mn-Salen, Oxidation of hydrocarbons and limonene, Reactive oxo species, Selective oxidation, Titanosilicates, Zeolite-encapsulated metal complexes}, issn = {0920-5861}, doi = {10.1016/j.cattod.2008.03.009}, author = {Ratnasamy, Paul and Srinivas, Darbha} } @article { ISI:000261660200019, title = {Self assembled hydrophobic nanoclusters of poly(methylmethcrylate) embedded into polyvinyl alcohol based hydrophilic matrix: preparation and water sorption study}, journal = {Journal of Applied Polymer Science}, volume = {111}, number = {3}, year = {2009}, month = {FEB}, pages = {1300-1310}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Hydrophilic matrices containing nanosized Clusters of hydrophilic moieties have demonstrated potential applications in biomedical field. A novel hydrogel containing nanosized domains (20-35 nm) of hydrophobic moieties of poly(methyl methacrylate) (PMMA) was prepared by grafting crosslinked p ly(acrylic acid-co-methyl-methacrylate) chains onto polyvinyl alcohol (PVA) backbone using an efficient redox system. The graft copolymerization process was investigated to observe the influence of gel components on the kinetic parameters of grafting such as rate of grafting (R(g)), grafting yield (G(y)) and grafting efficiency (G(e)). The prepared graft nanohydrogel was evaluated for its water sorption potential under varying chemical composition of the gel and changing pH, temperature, and ionic strength of the swelling bath. The swelling process was also examined mechanistically and diffusion constants (D) of water molecules through the swellable nanohydrogel were also evaluated. (c) 2008 Wiley Periodicals, Inc. J ppl Polym Sci 111: 1300-1310, 2009

}, keywords = {graft copolymers, hydrophilic polymers, Nanocomposites, swelling}, issn = {0021-8995}, doi = {10.1002/app.29155}, author = {Shukla, Sandeep Kumar and Shaikh, A. Wasif and Gunari, Nikhil and Bajpai, A. K. and Kulkarni, R. A.} } @article { ISI:000264111200022, title = {Self-assembly of silica particles in a nonionic surfactant hexagonal mesophase}, journal = {Journal of Physical Chemistry B}, volume = {113}, number = {11}, year = {2009}, month = {MAR}, pages = {3423-3430}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We investigate the process of self-assembly, and the resultant structures in composites of silica particles with a hexagonal mesophase of a nonionic surfactant and water. We report a systematic transition in behavior when the particle size is increased relative to the characteristic mesophase spacing. Water dispersible cage-like silsesquioxanes that are molecular analogues of silica particles and are smaller than the mesophase spacing swell the space between the surfactant cylinders. Silica particles comparable to the characteristic hexagonal spacing partition into the hexagonal phase and into strandlike particulate aggregates. Even larger particles phase separate from the hexagonal phase to form particulate strands that organize with a mesh size comparable to the wavelength of visible light. This self-assembly is reversible and the particles disperse by breaking up the aggregates on heating the composite into the isotropic phase. On cooling from the isotropic phase into the hexagonal, the particles are expelled from the growing hexagonal domains and finally impinge to form strandlike aggregates. Unusually, the isotropization temperature is increased in the composites as the particles nucleate the formation of the hexagonal phase.

}, issn = {1520-6106}, doi = {10.1021/jp810769g}, author = {Sharma, Kamendra P. and Kumaraswamy, Guruswamy and Ly, Isabelle and Mondain-Monval, Olivier} } @article { ISI:000264897200052, title = {Shape and size selective separation of gold nanoclusters by competitive complexation with octadecylamine monolayers at the air-water interface}, journal = {Journal of Colloid and Interface Science}, volume = {333}, number = {1}, year = {2009}, month = {MAY}, pages = {380-388}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The paper presents a time-dependent study of shape-dependent preferential complexation of gold nanoparticles to the octadecyl amine (ODA) monolayers at the air-water interface. Room temperature reduction of chloroaurate ions using lemon grass leaf extract yields a Mixture of spherical and triangular nanoparticles, which were used for this study. These nanoparticles have a net negative charge on their surface due to the presence of biomolecules from plant extract and thus a strong attractive electrostatic interaction with the positively charged ODA monolayers drives the complexation process. The extent of preferential complexation of the gold nanoparticles to the ODA monolayers is a function of the charge on the particles and the relative mobility of the nanoclusters in the medium. The complexation process has been followed in real time by a host of techniques such as surface pressure-area (pi-A) isotherms, UV-vis-NIR spectroscopy and Brewster angle microscopy. The charge and mobility of the gold nanoparticles was confirmed by measurement of their electrophoretic mobility. Langmuir-Blodgett films of the nanogold-ODA composites have been characterized by UV-vis-NIR spectroscopy, Fourier transform infrared spectroscopy, and transmission electron microscopy. These measurements clearly indicate that the cluster mobility and complexation increase with decreasing cluster size. In the competitive complexation process of large and small gold particles, it was observed that some bigger gold particles were also incorporated into the amine matrix even though the cluster mobility is higher for smaller gold particles. (c) 2009 Elsevier Inc. All rights reserved.

}, keywords = {Competitive complexation, gold nanoparticles, Langmuir-Blodgett technique, ODA monolayer}, issn = {0021-9797}, doi = {10.1016/j.jcis.2008.12.076}, author = {Pasricha, Renu and Singh, Amit and Sastry, Murali} } @article { ISI:000271280200036, title = {Short synthesis of 3,6-disubstituted N-2-thienyl/aryl-indoles}, journal = {Tetrahedron Letters}, volume = {50}, number = {47}, year = {2009}, month = {NOV}, pages = {6562-6566}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short synthetic strategy for 3,6-disubstituted-N-2-thienyl/aryl-indoles, involving reaction of substituted 2,4-difluoro/dichloro-styrene epoxide with substituted 2-formylaminothiophenes or substitued N-formylanilins in the presence of a base followed by treatment with an acid, has been developed The method was applied for the synthesis of a number of indoles with a variety of substitutents at 1, 3, and 6 positions of the indole moiety. (C) 2009 Elsevier Ltd All rights reserved.

}, keywords = {Formylaminothiophene, Gewald synthesis, Indole, Styrene epoxide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.09.049}, author = {Borate, Hanumant B. and Sawargave, Sangmeshwer P. and Maujan, Suleman R.} } @article { ISI:000268726500015, title = {Simple and efficient enzymatic transglycosylation of stevioside by beta-cyclodextrin glucanotransferase from Bacillus firmus}, journal = {Biotechnology Letters}, volume = {31}, number = {9}, year = {2009}, note = {13th International Biotechnology Symposium and Exhibition (IBS-2008), Dalian, PEOPLES R CHINA, OCT 12-17, 2008}, month = {SEP}, pages = {1415-1420}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Stevioside was subjected to 1,4-intermolecular transglycosylation using beta-cyclodextrin glucanotransferase (beta-CGtase) produced from an alkalophilic strain of Bacillus firmus. The reaction was carried out by traditional, ultrasound-assisted and microwave-assisted techniques. Reaction under microwave conditions was faster and was completed in 1 min yielding two 1,4 transglycosylated products, 4{\textquoteright}-O-alpha-d-glycosyl stevioside (I) and 4{\textquoteright}{\textquoteright}-O-alpha-d-maltosyl stevioside (II) in 66\% and 24\%, respectively. The optimum transglycosylation occurred by using stevioside (1.24 mmol), beta-CD (1.76 mmol) and beta-CGtase (2 U/g) under microwave assisted reaction (MAR) in 5 ml sodium phosphate buffer (pH 7) at 50A degrees C and 80 W power. MAR is therefore potentially a useful and economical method for faster transglycosylation of stevioside.

}, keywords = {beta-cyclodextrin, beta-Cyclodextrin glucanotransferase, Microwave-assisted reaction, Stevia rebaudiana, Stevioside, Transglycosylation}, issn = {0141-5492}, doi = {10.1007/s10529-009-0020-7}, author = {Jaitak, V. and Kaul, V. Kumar and Bandna and Kumar, N. and Singh, B. and Savergave, L. S. and Jogdand, Vitthal V. and Nene, S.} } @article { ISI:000262987800024, title = {Solid state synthesis and room temperature magnetic properties of iron phosphide nanoparticles}, journal = {Journal of Nanoparticle Research}, volume = {11}, number = {2}, year = {2009}, month = {FEB}, pages = {491-497}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Room temperature magnetic properties have been achieved for nano-crystalline iron phosphide synthesized from the direct solid state reaction of iron chloride and tri-octylphosphine (TOP). The magnetization continuously increased with higher magnetic fields, indicating a super-paramagnetic behavior. It is observed that room temperature magnetism is possible for the material showing antiferromagnetic nature at low temperatures. In the present synthesis, TOP acted as a source of phosphorus as well as a surfactant. X-ray diffraction (XRD) studies revealed that the black powder is a mixture of FeP and Fe(2)P. Transmission electron microscopy (TEM) and scanning electron microscopy (SEM) showed elongated as well spherical particles. Energy dispersion X-ray analysis (EDAX) confirmed a non-stoichiometric iron phosphide. Presence of TOP was confirmed by infra-red (IR) spectroscopy, and thermo-gravimetric analysis (TGA) indicated about 6\% wt. loss due to presence of organics.

}, keywords = {Iron phosphide, Semiconductors, Solid state reaction, synthesis, XRD}, issn = {1388-0764}, doi = {10.1007/s11051-008-9458-0}, author = {Singh, N. and Khanna, P. K. and Joy, Pattayil Alias} } @article { ISI:000271103500038, title = {Solid suspension and liquid phase mixing in solid-liquid stirred tanks}, journal = {Industrial \& Engineering Chemistry Research}, volume = {48}, number = {21}, year = {2009}, month = {NOV}, pages = {9713-9722}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Stirred tanks are widely used in chemical process industries for catalytic reactions, dissolution of solids, crystallization, and so oil. In designing and optimizing such processes, suspension quality Of Slurry is an important parameter. Suspension quality depends upon complex interactions of impeller generated flow, turbulence, and solid loading. Most of the earlier work on solid suspension focuses Oil identifying critical impeller speed for just suspension of solids (N(js)). In this study, apart from N(js) aspects like cloud height and liquid phase mixing in solid-liquid suspensions were also studied A new way of characterizing solid-liquid suspensions and liquid phase mixing using nonintrusive wall pressure fluctuation measurements has been developed. Systematic experimental data on N(js), cloud height, power consumption, mixing time, and circulation time over a range of solid volume fraction and impeller speeds have been presented here. The results and discussion presented here will have useful implications for designing solid-liquid stirred tanks.

}, issn = {0888-5885}, doi = {10.1021/ie801858a}, author = {Sardeshpande, Madhavi V. and Sagi, Aparna R. and Juvekar, Vinay A. and Ranade, Vivek V.} } @article { ISI:000270842400009, title = {Somatic embryogenesis from the axillary meristems of peanut (Arachis hypogaea L.)}, journal = {Plant Biotechnology Reports}, volume = {3}, number = {4}, year = {2009}, month = {OCT}, pages = {333-340}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Developmental anomalies in the plumule meristem of peanut (Arachis hypogaea L.) somatic embryos resulted in poor shoot differentiation and reduced plant recovery. Existing meristems with caulogenic potential have never been tested for embryogenesis in peanut. The present experiment was designed to test the mature zygotic embryo axis derived plumule with three meristems for somatic embryogenesis. Embryogenic masses and embryos developed from the caulogenic meristems in the axils. Exposure of 2 weeks in primary medium with 90.5 A mu M 2,4-D suppressed the shoot tip differentiation temporarily which then regained the ability to form the shoot on withdrawal of 2,4-D. Exposure of 4 weeks in primary medium with 90.5 A mu M 2,4-D suppressed the shoot tip differentiation irreversibly. No shoot formation was noted from the tips in any of the cultures which were in secondary medium with 13.6 A mu M 2,4-D. Development of somatic embryos directly from axillary meristems was confirmed histologically. Conversion frequency of these embryos was 11\%. Thus, in this report, we describe a method to obtain somatic embryos from the determined organogenic buds of the axillary meristem, by culturing the nodal explant vertically on embryo induction medium. It also displays the possibility of obtaining both embryogenic and organogenic potential in two parts of the same explant simultaneously. The possibility of extending this approach for genetic transformation in in vivo system through direct DNA delivery or Agrobacterium injection in meristems can also be explored. Using Agrobacterium rhizogenes, we have demonstrated the possibility of gene transfer in the axillary meristems of seed-derived plumule explant.

}, keywords = {Apical meristem, Axillary meristem, Mature zygotic embryo axis, Peanut, somatic embryogenesis}, issn = {1863-5466}, doi = {10.1007/s11816-009-0107-6}, author = {Singh, Shweta and Hazra, Sulekha} } @article { ISI:000266269600030, title = {Sterically controlled naphthalene homo-oligoamides with novel structural architectures}, journal = {Organic \& Biomolecular Chemistry}, volume = {7}, number = {11}, year = {2009}, month = {MAR}, pages = {2458-2465}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein we report novel naphthalene homo-oligoamides, derived from 4-amino-3-methoxy-naphthalene-2-carboxylic acid and 4-amino-1-methoxy-naphthalene-2-carboxylic acid as monomer building blocks, that display an anti-periplanar arrangement of the naphthyl rings, primarily induced by steric interactions between adjacent groups and functionalities.

}, issn = {1477-0520}, doi = {10.1039/b822076j}, author = {Prabhakaran, Panchami and Puranik, Vedavati G. and Chandran, Jima N. and Rajamohanan, P. R. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000263683800007, title = {Strain improvement and up scaling of phytase production by aspergillus niger NCIM 563 under submerged fermentation conditions}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {36}, number = {3}, year = {2009}, month = {MAR}, pages = {373-380}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Combination of physical and chemical mutagenesis was used to isolate hyper secretory strains of Aspergillus niger NCIM 563 for phytase production. Phytase activity of mutant N-1 and N-79 was about 17 and 47\% higher than the parent strain. In shake flask the productivity of phytase in parent, mutant N-1 and N-79 was 6,181, 7,619 and 9,523 IU/L per day, respectively. Up scaling of the fermentation from shake flask to 3 and 14 L New Brunswick fermenter was studied. After optimizing various fermentation parameters like aeration, agitation and carbon source in fermentation medium the fermentation time to achieve highest phytase activity was reduced considerably from 14 days in shake flask to 8 days in 14 L fermenter. Highest phytase activity of 80 IU/ml was obtained in 1\% rice bran-3.5\% glucose containing medium with aeration 0.2 vvm and agitation 550 rpm at room temperature on 8th day of fermentation. Addition of either bavistin (0.1\%), penicillin (0.1\%), formalin (0.2\%) and sodium chloride (10\%) in fermented broth were effective in retaining 100\% phytase activity for 8 days at room temperature while these reagents along with methanol (50\%) and ethanol (50\%) confer 100\% stability of phytase activity at 4A degrees C till 20 days. Among various carriers used for application of phytase in feed, wheat bran and rice bran were superior to silica and calcium carbonate. Thermo stabilization studies indicate 100\% protection of phytase activity in presence of 12\% skim milk at 70A degrees C, which will be useful for its spray drying.

}, keywords = {Agriculture residue, Aspergillus niger, Phytase, phytate degradation, Poultry feed supplement, Submerged fermentation}, issn = {1367-5435}, doi = {10.1007/s10295-008-0506-7}, author = {Shah, P. and Bhavsar, Kavita P. and Soni, S. K. and Khire, Jayant Malhar} } @article { ISI:000262707000040, title = {Synthesis and antifungal activity of 1,2,3-triazole containing fluconazole analogues}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {19}, number = {3}, year = {2009}, month = {FEB}, pages = {759-763}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Fluconazole based novel mimics containing 1,2,3-triazole were designed and synthesized as antifungal agents. Their antifungal activities were evaluated in vitro by measuring the minimal inhibitory concentrations (MICs). Compounds 12, 15, and 16 were found to be more potent against Candida fungal pathogens than control drugs fluconazole and amphotericin B. The studies presented here provide structural modi. cation of fluconazole to give 1,2,3-trazole containing molecules. Furthermore, these molecules were evaluated in vivo against Candida albicans intravenous challenge in Swiss mice and antiproliferative activities were tested against human hepatocellular carcinoma Hep3B and human epithelial carcinoma A431. It was found that compound 12 resulted in 97.4\% reduction in fungal load in mice and did not show any profound proliferative effect at lower dose (0.001 mg/ml). (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2, 3-Triazole, Antifungal agent, bile acid, Conjugates, Fluconazole}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2008.12.026}, author = {Aher, Nilkanth G. and Pore, Vandana S. and Mishra, Nripendra N. and Kumar, Awanit and Shukla, Praveen K. and Sharma, Aanchal and Bhat, Manoj K.} } @article { ISI:000271542900165, title = {Synthesis and characterization of CoCrxFe2-xO4 nanoparticles}, journal = {Journal of Alloys and Compounds}, volume = {485}, number = {1-2}, year = {2009}, month = {OCT}, pages = {798-801}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Spinel-phase nanocrystalline CoCrxFe2-xO4 powders (0.0 \<= x \<= 2.0) were synthesized by citrate-gel precursor method. The samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM). transmission electron microscopy (TEM) and infra-red spectroscopy (FT-IR). The XRD and selected-area electron diffraction (SAED) patterns indicated that the synthesized nanoparticles have single-phase spinet structure without the presence of any other impurities. The changes in electrical and magnetic properties of different stiochiometric compositions have also been investigated. It is seen that with increase in chromium contents, the measured magnetic hysteresis loops become narrow with decreasing trend in saturation magnetization. Electrical resistivity indicated that all the compounds are semiconducting nature. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Magnetic measurements, Sintering, transmission electron microscopy, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2009.06.087}, author = {Hankare, P. P. and Sankpal, U. B. and Patil, R. P. and Mulla, Imtiaz S. and Lokhande, P. D. and Gajbhiye, N. S.} } @article { ISI:000263932600008, title = {Synthesis and characterization of high-surface-area Ag2O-doped SnO2 nanomaterial}, journal = {Philosophical Magazine Letters}, volume = {89}, number = {3}, year = {2009}, month = {MAR}, pages = {PII 909257359}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Nanosized tin dioxide-based powders containing silver and palladium oxides have been prepared by coprecipitation reaction. XRD, TEM, and XPS analysis were carried out for investigation of crystalline structure and surface morphology. The best reactive conditions were determined, such as the concentration of the reactants, pH value, surfactants, reaction temperature, and time. The material obtained is nanocrystalline, having a particle size in the range of 5.21-7.42 nm. Effect of doped-Ag2O on the crystal size of the nanoparticles and the influence of the presence of a second dopant (Pd) on the Ag2O/SnO2 matrix was discussed.

}, keywords = {Ag2O:SnO2, Nanomaterials, XPS}, issn = {0950-0839}, doi = {10.1080/09500830902758651}, author = {Gambhire, A. B. and Lande, Machhindra K. and Kalokhe, S. B. and Shirsat, M. D. and Patil, K. R. and Gholap, Ramkrishna S. and Arbad, B. R.} } @article { ISI:000263629200030, title = {Synthesis and characterization of new polyimides containing pendent pentadecyl chains}, journal = {European Polymer Journal}, volume = {45}, number = {2}, year = {2009}, month = {FEB}, pages = {582-589}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new unsymmetrical aromatic diamine, viz., 4-pentadecylbenzene-1,3-diamine was synthesized through a series of reaction steps starting from 3-pentadecylphenol. 4-Pentadecylbenzene-1,3-diamine was employed to synthesize a series of new polyimides by one-step polycondensation in m-cresol with four commercially available aromatic dianhydrides. viz., 3,3{\textquoteright},4,4{\textquoteright}-biphenyltetracarboxylic dianhydride (BPDA), 3,3{\textquoteright},4,4{\textquoteright}-benzophenone-tetracarboxylic dianhydride (BTDA), 4,4{\textquoteright}-oxydiphthalic anhydride (ODPA) and 4,4{\textquoteright}-(hexafluoroisopropylidene)diphthalic anhydride (6-FDA). Inherent viscosities of resulting polyimides were in the range 0.33-0.67 dL/g and number average molecular weights were in the range 14,700-52,200 (GPC, polystyrene standard). Polyimides containing pendent pentadecyl chains were soluble in organic solvents such as chloroform, m-cresol, N,N-dimethylacetamide (DMAc), 1-methyl-2-pyrrolidinone (NMP), pyridine and nitrobenzene. Strong and flexible films of polyimides could be cast from their chloroform solutions. Polyimides exhibited glass transition temperature in the range 158-206 degrees C. The temperature at 10\% wt. loss (T(10)). determined by TGA in nitrogen atmosphere, of polyimides was in the range 470-480 degrees C indicating good thermal stability. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Cashew nut shell liquid, Glass transition temperature, Pendant pentadecyl chain, polyimides}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2008.11.013}, author = {Sadavarte, Nilakshi V. and Halhalli, Mahadeo R. and Avadhani, C. V. and Wadgaonkar, Prakash P.} } @article { ISI:000270106700015, title = {Synthesis and in vitro study of 14-aryl-14H-dibenzo[a.j]xanthenes as cytotoxic agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {19}, number = {19}, year = {2009}, month = {OCT}, pages = {5590-5593}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple and expedient method for the synthesis of a series of 14-aryl-14H-dibenzo[a.j]xanthenes is described through a one-pot condensation of beta-naphthol with aryl aldehydes catalysed by TaCl(5) under solvent-free conventional heating. The major advantages of the present method are: high yields, less reaction time, solvent-free condition and easy purification of the products. The synthesized 14-aryl-14H-dibenzo[a.j]xanthenes were evaluated against a panel of six human cancer lines of different tissues. Synthesized compound 30 showed IC(50) of 37.9 and 41.3 mu M against Colo-205 and 502713, respectively, whereas 3g showed IC(50) of 41.9 mu M against Colo-205. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Aldehyde, beta-Naphthol, condensation, Cytotoxicity, One-pot reaction, Solvent-free, Tantalum(V) chloride, Xanthenes}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2009.08.033}, author = {Bhattacharya, Asish K. and Rana, Kalpeshkumar C. and Mujahid, Mohammad and Sehar, Irum and Saxena, Ajit K.} } @article { ISI:000271108500027, title = {Synthesis and thermal properties of soluble silicon containing phenylated aromatic-aliphatic polyamides}, journal = {Journal of Thermal Analysis and Calorimetry}, volume = {98}, number = {2}, year = {2009}, month = {NOV}, pages = {539-545}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Aromatic polyamides find many applications in diverse and critical areas due to their high thermal stability coupled with high mechanical properties. However most of such aramides are difficult to fabricate because of their limited solubility and high melting temperature. Improvements in processability have been reported by incorporating bulky pendant groups and aliphatic spacer groups. Similarly to improve the solubility of polymers approaches of incorporating silicon in main polymer chain and co-polymerization techniques were useful. We report the synthesis and characterization of a series of phenylated silicon containing aromatic-aliphatic polyamides from a mixture of 2, 5-bis (4-carboxy methylene phenyl)-3, 4-diphenyl thiophene (CMPDT) and bis-(4-carboxy phenyl) dimethyl silane (BCPDS) in various mole proportions, with commercial aromatic diamine. Thus a series of novel co-polyamides having pendant phenyl groups, methylene spacer and silicon moiety was prepared by judicious combination of (CMPDT); BCPDS and aromatic diamine; bis-(4-aminophenyl) ether (ODA), by direct polycondensation using Yamazaki{\textquoteright}s phosphorylation method. These high molecular mass polyamides were obtained in high (89-98\%) yields and had viscosities in the range of 0.23-0.57 dL/g in DMAc. Polyamides showed improved solubility in polar aprotic solvents, like NMP, DMAc, DMSO and DMF; had high thermal stability; with no mass loss below 335 A degrees C.

}, keywords = {2, 4-diphenyl thiophene, 5-bis (4-carboxy methylene phenyl)-3, bis-(4-amino phenyl) ether, bis-(4-carboxy phenyl) dimethyl silane, Copolyamides, solubility, thermal stability}, issn = {1388-6150}, doi = {10.1007/s10973-009-0286-y}, author = {Ghanwat, A. A. and Sayyed, M. M. and Wadgaonkar, P. P. and Maldar, Noormahamad N.} } @article { ISI:000264232900041, title = {Synthesis, characterization and constitutional isomerism study of new aromatic polyamides containing pendant groups based on asymmetrically substituted meta-phenylene diamines}, journal = {European Polymer Journal}, volume = {45}, number = {3}, year = {2009}, month = {MAR}, pages = {953-959}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Four new aromatic polyamides containing pendant groups were synthesized by low temperature interfacial polycondensation of two asymmetrically substituted diamine monomers, namely, 4-[4-(1-methyl-1-phenylethyl) phenoxyl-1,3-diamino benzene and 4-[4-[4-methylphenyl) sulphonyl]phenoxy)-1,3-diamino benzene with two aromatic diacid chlorides, namely isophthaloyl chloride and tereplithaloyl chloride. Inherent viscosities of polyamides were in the range 0.64-0.72 dL/g indicating formation of medium molecular weight polymers. The weight average molecular weights and number average molecular weights, determined by gel permeation chromatography (polystyrene standard), were in the range 54,500-65,000 and 19,750-27,000, respectively. The constitutional isomerism of synthesized polyamides was investigated by (1)H and (13)C NMR spectroscopy, where as the constitutional order was calculated from (1)H NMR spectroscopy and was found to be in the range 0.35-0.37. Polyamides containing pendant groups were essentially amorphous and were soluble in polar aprotic solvents such as N, N-dimethyl acetamide, N-methyl-2-pyrrolidone, N, N-dimethyl formamide and dimethyl sulfoxide. Polyamides exhibited glass-transition temperature in the range 237-254 degrees C. The initial decomposition temperature, determined by TGA in nitrogen atmosphere, of polyamides was in the range 371-410 degrees C indicating their good thermal stability. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Asymmetrically substituted diamines, Constitutional isomerism, interfacial polycondensation, Pendant groups}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2008.11.034}, author = {Pal, Ravindra R. and Patil, Prashant S. and Salunkhe, Manikrao M. and Maldar, Noormahamad N. and Wadgaonkar, Prakash P.} } @article { ISI:000265911700183, title = {Synthesis, characterization and effect of sintering temperature on magnetic properties of MgNi ferrite prepared by co-precipitation method}, journal = {Journal of Alloys and Compounds}, volume = {475}, number = {1-2}, year = {2009}, month = {MAY}, pages = {926-929}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Mixed MgNi ferrites with composition Mg(0.5)Ni(0.5)Fe(2)O(4) where the mole fraction for Ni (x = 0, 0.25, 0.75, 0.5 and 1) were prepared by following co-precipitation method at temperature 110 degrees C and maintaining a pH of solution equal to 9.5 enable to achieve large particle surface area. The resultant materials obtained in powder form were sintered at different temperatures. Thermogravimetry (TGA), X-ray diffraction (XRD) and scanning electron microscopy, technique were applied to obtain structural parameters. The XRD patterns reveal the presence of(311) peak as the most intense one. The intensity of XRD peak increases with increase in sintering temperature. The saturation magnetization values showed increasing trend with increase in sintering temperature from 2.37 to 29.76 emu/g. These results along with the analysis of SEM micrographs are interpreted in terms of increase in particle grain size with increase in sintering temperature. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, Ferrites, FT-IR, scanning electron microscopy, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2008.08.082}, author = {Hankare, P. P. and Jadhav, S. D. and Sankpal, U. B. and Chavan, Santosh S. and Waghmare, K. J. and Chougule, B. K.} } @article { ISI:000264463600013, title = {Synthesis of Ag-Pt alloy nanoparticles in aqueous bovine serum albumin foam and their cytocompatibility against human gingival fibroblasts}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {69}, number = {2}, year = {2009}, month = {MAR}, pages = {239-245}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Foams of bovine serum albumin (BSA) have been utilized for synthesizing in situ protein capped Ag-Pt alloy nanoparticles. The in vitro cytotoxicity and the rate of proliferation of human gingival fibroblasts (HGFs) in presence of the above synthesized alloy nanoparticles is investigated. Expression profile of protein involved in detoxification, i.e. metallotheonein (MT) were assayed by ELISA and expression of mRNA transcripts by reverse transcription polymerase chain reaction (RT-PCR). Cytotoxicity results suggested that protein capped nano-alloys might be promising candidates for implants and prosthetic material. RT-PCR and ELISA confirmed the expression of MT. in cells treated with the alloy nanoparticles. Morphology variation studied by SEM also confirms that cells treated with alloy nanoparticles present an intact morphology. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Alloy nanoparticles, Biocompatibility, ELISA, Human gingival fibroblasts, mRNA, Protein foams}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2008.11.021}, author = {Singh, A. V. and Patil, R. and Kasture, M. B. and Gade, Wasudeo N. and Bhagavatula L. V. Prasad} } @article { ISI:000267381100014, title = {Synthesis of catalytically active porous platinum nanoparticles by transmetallation reaction and proposition of the mechanism}, journal = {Small}, volume = {5}, number = {12}, year = {2009}, month = {JUN}, pages = {1467-1473}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

A facile method for the synthesis of porous platinum nanoparticles by transmetallation reactions between sacrificial nickel nanoparticles and chloroplatinic acid (H(2)PtCl(6)) in solution, as well as at the constrained environment of the air water interface, using a Langmuir-Blodgett instrumental setup is presented. To carry out the transmetallation at the air-water interface hydrophobized nickel nanoparticles are assembled as a monolayer on the sub phase containing platinum ions. The porous Pt nanoparticles obtained as a result of the reaction are found to act as extremely good catalysts for hydrogenation reaction. The products are well characterized by TEM, HRTEM, EDAX, and STEM. Attempts are made to postulate the plausible mechanism of this reaction to generate this kind of nanoparticle with controllable geometric shape and structure. This simple strategy has the potential to synthesize other nanomaterials of interest too.

}, keywords = {Catalysts, Interfaces, Nickel nanoparticles, porous platinum, Transmetallation}, issn = {1613-6810}, doi = {10.1002/smll.200801863}, author = {Pasricha, Renu and Bala, Tanushree and Biradar, Ankush V. and Shubhangi B. Umbarkar and Sastry, Murali} } @article { ISI:000264123000013, title = {Synthesis of chiral sulfoxides by enantioselective sulfide oxidation and subsequent oxidative kinetic resolution using immobilized Ti-binol complex}, journal = {Journal of Catalysis}, volume = {262}, number = {1}, year = {2009}, month = {FEB}, pages = {111-118}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Chiral Ti-binol complex was immobilized onto ionic liquid modified SBA-15 and characterized by different physicochemical techniques. The catalyst was found to be highly enantioselective in the heterogeneous asymmetric oxidation of prochiral sulfides to sulfoxides and subsequent oxidative kinetic resolution of the sulfoxides using aqueous tert-butylhydroperoxide as the oxidant. A positive non-linear effect was observed in the oxidation-kinetic resolution of thioanisole using this supported catalyst. The supported catalyst was reused in multiple catalytic runs without any loss of enantioselectivity. (C) 2008 Elsevier Inc. All rights reserved.

}, keywords = {Kinetic resolution, Mesoporous silica, Non-linear effect, Sulfides, Sulfoxides, Supported ionic liquid, Ti-binol}, issn = {0021-9517}, doi = {10.1016/j.jcat.2008.12.007}, author = {Sahoo, Suman and Kumar, Pradeep and Lefebvre, F. and Halligudi, Shivaraj B.} } @article { ISI:000270973600047, title = {Synthesis of framework Ti-substituted, 3-D hexagonal, mesoporous Ti-SBA-12 for selective catalytic oxidation}, journal = {Chemical Communications}, number = {42}, year = {2009}, month = {SEP}, pages = {6484-6486}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Framework Ti-substituted, 3-D hexagonal mesoporous, Ti-SBA-12, obtained for the first time by direct hydrothermal synthesis, oxidises bulky molecules such as cyclohexene and cyclooctene to the epoxides with \>96\% selectivity at high conversion levels (\>60\%).

}, issn = {1359-7345}, doi = {10.1039/b915324a}, author = {Kumar, Anuj and Srinivas, Darbha and Ratnasamy, Paul} } @article {39}, title = {Synthesis of hydroxy-functional PMMA macromonomers by anionic polymerization}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {46}, number = {10}, year = {2009}, month = {SEP}, pages = {PII 914494634}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Living anionic polymerization has been utilized to synthesize hydroxy end-functionalized PMMA macromonomers with styryl or allyl functionalities as the polymerizable end-groups. Protected hydroxy-functionalized alkyl lithium initiators have been used to initiate anionic polymerization of MMA. Subsequently the living chains with protected hydroxyl function have been terminated using 4-vinylbenzyl chloride (4-VBC) or allyl methacrylate (ALMA) to form -hydroxy{\textendash}styryl and -hydroxy{\textendash}allyl PMMA, respectively. These protected hydroxy-functionalized PMMA macromonomers have been characterized by GPC and 1H-NMR. Termination using 4-VBC led to 50\% functionalization, whereas that using allyl methacrylate led to 100\% functionalization of the hydroxy-PMMA.

}, keywords = {Anionic polymerization, functionalized initiator, Macromonomer}, issn = {1060-1325}, doi = {10.1080/10601320903158610}, author = {Dhara, Mahua Ganguly and Sivaram, Swaminathan and Bhonde, Ramesh R. and Bhagavatula L. V. Prasad} } @article { ISI:000267110100003, title = {Synthesis of hydroxy-functionalized star-branched PMMA by anionic polymerization}, journal = {Polymer Bulletin}, volume = {63}, number = {2}, year = {2009}, month = {AUG}, pages = {185-196}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Living anionic polymerization has been exploited to synthesize hydroxy end-functionalized PMMA star-branched polymers. Protected hydroxy-functionalized alkyl lithium initiators have been used to initiate anionic polymerization of MMA. Subsequently the living chains with protected hydroxyl function have been used to cross-link ethylene glycol dimethacrylate (EGDMA) in order to form star-branched polymers with cross-linked EGDMA core via {\textquoteleft}arm-first{\textquoteright} method. The linear arms and the star molecules have been characterized by (1)HNMR, GPC, and light scattering. Variation in the number of arms with arm molecular weight and cross-linker loading has been studied. Star-branched PMMA-OH with as many as similar to 10 arms could be successfully made. Increased molecular weight of PMMA-OH led to decrease in the number of arms incorporated due to increased steric hindrance on the core. Increase in EGDMA concentration slightly increased the arm incorporation.

}, keywords = {Anionic polymerization, Star polymers, Star-branched PMMA}, issn = {0170-0839}, doi = {10.1007/s00289-009-0082-7}, author = {Dhara, Mahua Ganguly and Sivaram, Swaminathan and Baskaran, Durairaj} } @article { ISI:000268481500018, title = {Synthesis of polyfunctional quinolizidine alkaloids: development towards selective glycosidase inhibitors}, journal = {Organic \& Biomolecular Chemistry}, volume = {7}, number = {16}, year = {2009}, month = {JUN}, pages = {3300-3307}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A highly divergent route to a variety of quinolizidine alkaloids is described. The enantiomeric precursors 22a and 22b utilized for the synthesis of these alkaloids were constructed stereospecifically from the PET cyclization of the corresponding acetylene tethered alpha-trimethylsilyl amine moieties 21a and 21b, respectively, both of which were synthesised from D-ribose. The polyhydroxy quinolizidine alkaloid 7 was found to be a selective inhibitor of alpha-galactosidase with Ki 83.9 mu M. The amine analogs 18, 12 and 10 are found to be selective and potent inhibitors of alpha-glucosidase with Ki 28, 120 and 140 mu M, respectively.

}, issn = {1477-0520}, doi = {10.1039/b907007a}, author = {Pandey, Ganesh and Grahacharya, Debasish and Shashidhara, K. S. and Khan, Mohammad Islam and Puranik, Vedavati G.} } @article { ISI:000286307300007, title = {Synthesis of Sb-doped SnO2 nanowires and hyperbranched structures}, journal = {Science of Advanced Materials}, volume = {1}, number = {1}, year = {2009}, month = {APR}, pages = {38-43}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Branched nanostructures of semiconducting materials are of great interest for their potential applications in optoelectronic, photonic devices and sensors. We herein describe a facile single-step chemical vapor deposition route for the synthesis of Sb-SnO2 hyperbranched nanostructures comprised of elongated nanowires with 30-40 nm diameter and 10-20 Am length. The morphology and structure has been characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), selective area electron diffraction (SAED), and powder X-ray diffraction (XRD). Also, a possible mechanism is proposed for the growth of nanowires into the hyperbranched form on the basis of the substrate effect, the role of Au nanoparticles, and the effect of Sb doping on specific morphology evolution. Interestingly, electrical conductivity measurements as a function of temperature suggest a semiconducting behavior, despite being governed by different electron-transport mechanisms with activation energies of 0.55 and 0.17 eV, which correspond to pure SnO2 and Sb-SnO2 nanowires, respectively. A precise control over the operating parameters not only envisages custom-designed, branched structures by a simple and economical route but also offers an alternative method to the expensive and tedious nanofabrication techniques for industrial applications.

}, keywords = {Au Nanoparticles, chemical vapor deposition, Sb-SnO2 Hyperbranched Nanostructures}, issn = {1947-2935}, doi = {10.1166/sam.2009.1006}, author = {Sathe, Bhaskar R. and Patil, Mrudula and Walke, Pravin S. and Vivek, J. P. and Lele, Ashish K. and Pillai, Vijayamohanan K. and Mulla, Imtiaz S.} } @article { ISI:000265996200003, title = {Thermally induced cationic polymerization of glycidyl phenyl ether using novel xanthenyl phosphonium salts}, journal = {Macromolecular Research}, volume = {17}, number = {4}, year = {2009}, month = {APR}, pages = {221-226}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The present study firstly describes the synthesis of novel, thermo-latent initiators based on xanthenyl phosphonium salts with different counter anions and phosphine moieties and secondly examines their efficiency in the bulk polymerization of glycidyl phenyl ether (GPE). The polymerization was performed with phosphonium salt initiators (I(SbF6), I(PF6), I(AsF6) and I(BF4)) at ambient temperature to 200 degrees C for 1 h. The order of initiator activity was I(SbF6) \> I(PF6) \> I(AsF6) \> I(BF4). To examine the effect of the phosphine moiety on the initiator activity, polymerization was carried out with I(SbF6) (Ph(3)P) and II(SbF6) (Bu(3)P) at ambient temperature to 170 degrees C for 1 h. The order of reactivity was I(SbF6) \> II(SbF6). In general, the conversion percentage increased with increasing polymerization temperature. The thermal stability of these salts was measured by then-no gravimetric analysis (TGA). The solubility of phosphonium salts in various organic solvents and epoxy monomers was also investigated.

}, keywords = {Cationic polymerization, glycidyl phenyl ether, phosphonium salts, thermo-latent}, issn = {1598-5032}, author = {Gupta, Mukesh Kumar and Singh, Raj Pal} } @article { ISI:000265959200028, title = {Titanium superoxide: a heterogeneous catalyst for anti-Markovnikov aminobromination of olefins}, journal = {Tetrahedron Letters}, volume = {50}, number = {23}, year = {2009}, month = {JUN}, pages = {2815-2817}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new facile procedure for the aminobromination of olefins in high yields has been described using p-toluene sulfonamide (p-TsNH(2)) and N-bromosuccinimide (NBS) as introgen and bromine sources, respectively, and titanium superoxide as a truly heterogeneous catalyst. The formation of anti-Markovnikov product exclusively in all the cases studied possibly proceeding I free radical reaction pathway is remarkable. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {anti-Markovnikov addition, Bromoamination, N-Bromosuccinimide, p-Toluenesulfonamide, Titanium superoxide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.03.169}, author = {Shaikh, Tanveer Mahamadali and Karabal, Pratibha U. and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000269715600024, title = {Total syntheses and absolute stereochemistry of decarestrictines C-1 and C-2}, journal = {Tetrahedron Letters}, volume = {50}, number = {40}, year = {2009}, month = {OCT}, pages = {5636-5639}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The total syntheses of decarestrictines C-1 and C-2 have been described. The synthetic strategy involves a practical and flexible approach using esterification and ring-closing metathesis to unite the acid and alcohol fragments. The acid fragments are enantiomers of each other and have been prepared from L-(-)-malic acid via similar transformations; in Sharpless asymmetric epoxidation, (+)-DET has been used for decarestrictine C-1 and (-)-DET for decarestrictine C-2. The alcohol fragment is identical for both decarestrictines C-1 and C-2 and has been accessed from D-(+)-mannitol. Comparison of the H-1 and C-13 NMR data combined with the computational studies predicts the presence of two conformations without and with hydrogen bonding (conformational isomers I and II for decarestrictine C-1), respectively. The H-1 and C-13 NMR data for decarestrictine C-2 completely agreed with the analytical data reported by Kibayashi et al. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Decarestrictines, Pinnick oxidation, Ring-closing metathesis, Sharpless asymmetric epoxidation, Yamaguchi coupling reaction}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.07.099}, author = {Mohapatra, Debendra K. and Sahoo, Gokarneswar and Ramesh, Dhondi K. and Rao, J. Srinivasa and Sastry, G. Narahari} } @article { ISI:000265052800004, title = {Total synthesis of verbalactone: an efficient, carbohydrate-based approach}, journal = {Tetrahedron Letters}, volume = {50}, number = {18}, year = {2009}, month = {MAY}, pages = {2048-2049}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A carbohydrate-based strategy for the total synthesis of verbalactone has been described. (3R,5R)-3,5-dihydroxydecanoic acid was dimerised under Yamaguchi conditions to provide verbalactone in an overall yield of 17\% starting from 3-deoxy-1,2:5,6-di-O-isopropylidine-alpha-D-glucofuranose. (c) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Chiral pool approach, D-Glucose, verbalactone, Yamaguchi{\textquoteright}s macrolactonization}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2009.02.062}, author = {Salunke, Ganesh B. and Shivakumar, I. and Gurjar, Mukund K.} } @article { ISI:000263071500026, title = {Two modes of O-H center dot center dot center dot O hydrogen bonding utilized in dimorphs of racemic 6-O-acryloyl-2-O-benzoyl-myo-inositol 1,3,5-orthoformate}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {65}, year = {2009}, month = {FEB}, pages = {O54-O57}, publisher = {WILEY-BLACKWELL PUBLISHING, INC}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The title compound, C(17)H(16)O(8), yields conformational dimorphs [forms (I) and (II)] at room temperature, separately or concomitantly, depending on the solvent of crystallization. The yield of crystals of form (I) is always much more than that of crystals of form (II). The molecule has one donor -OH group that can make intermolecular O-H center dot center dot center dot O hydrogen bonds with one of the two acceptor C O groups, as well as with the hydroxyl O atom; interestingly, each of the options is utilized separately in the dimorphs. The crystal structure of form (I) contains one molecule in the asymmetric unit and is organized as a planar sheet of centrosymmetric dimers via O H center dot center dot center dot O hydrogen bonds involving the OH group and the carbonyl O atom of the acryloyl group. In the crystal structure of form (II), which contains two independent molecules in the asymmetric unit, two different O-H center dot center dot center dot O hydrogen bonds, viz. hydroxyl-hydroxyl and hydroxyl-carbonyl (benzoyl), connect the molecules in a layered arrangement. Another notable feature is the transformation of form (II) to form (I) via melt crystallization upon heating to 411 K. The higher yield of form (I) during crystallization and the thermal transition of form (II) to form (I) suggest that the association in form (I) is more highly favoured than that in form (II), which is valuable in understanding the priorities of molecular aggregation during nucleation of various polymorphs.

}, issn = {0108-2701}, doi = {10.1107/S0108270109000225}, author = {Krishnaswamy, Shobhana and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000269310600079, title = {Ultrafast switching time and third order nonlinear coefficients of microwave treated single walled carbon nanotube suspensions}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {9}, number = {9}, year = {2009}, note = {International Conference on Nanoscience and Technology, Chennai, INDIA, FEB 27-29, 2008}, month = {SEP}, pages = {5550-5554}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Microwave treated water soluble and amide functionalized single walled carbon nanotubes have been investigated using femtosecond degenerate pump-probe and nonlinear transmission experiments. The time resolved differential transmission using 75 femtosecond pulse with the central wavelength of 790 nm shows a bi-exponential ultrafast photo-bleaching with time constants of 160 fs (130 fs) and 920 fs (300 fs) for water soluble (amide functionalized) nanotubes. Open and closed aperture z-scans show saturation absorption and positive (negative) nonlinear refraction for water soluble (amide functionalized) nanotubes. Two photon absorption coefficient, beta(0) similar to 250 cm/GW (650 cm/GW) and nonlinear index, gamma similar to 15 cm(2)/pW (-30 cm(2)/pW) are obtained from the theoretical fit in the saturation limit to the data for two types of nanotubes.

}, keywords = {Nonlinear Optical Coefficients, SWCNT, Ultra-Fast Switching}, issn = {1533-4880}, doi = {10.1166/jnn.2009.1184}, author = {Kamaraju, N. and Kumar, Sunil and Karthikeyan, B. and Kakade, Bhalchandra A. and Pillai, Vijayamohanan K. and Sood, A. K.} } @article { ISI:000262781700012, title = {Ultrasound assisted synthesis of polyacrylic acid-nanoclay nanocomposite and its application in sonosorption studies of malachite green dye}, journal = {Ultrasonics Sonochemistry}, volume = {16}, number = {3}, year = {2009}, month = {MAR}, pages = {351-355}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Synthesis of nanoclay nanocomposite has been undertaken by using polyacryalic acid (PAA) in aqueous medium and ultrasound environment and its application in dye removal has been investigated. The synthesized product was characterized by using FTIR and XRD techniques. The sonosorption capacity of the product namely PAA-nanoclay composite was determined by choosing malachite green (MG) dye as a model pollutant. The effects of various parameters such as nanocomposite loading, pH, various process conditions etc. have been studied. On comparing the results obtained with that of nanoclay as an adsorbent, it was found for an initial concentration of 500 mg/l, the PAA-nanoclay nanocomposite exhibited higher percentage of pollutant removal (68\%) and for nanoclay it was 54\%. The adsorption data has been correlated using Langmuir and Freundlich models. The fit of the Freundlich isotherm model was found to be good in the entire range of concentration for the experimental sorption data obtained on the nanoclay nanocomposite. A plausible reaction mechanism for use of PAA-nanoclay nanocomposite as ail adsorbent is also proposed. (c) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Malachite Green, Nanocomposite, Polyacrylic acid, Sonosorption, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2008.10.008}, author = {Sonawane, S. H. and Chaudhari, P. L. and Ghodke, S. A. and Parande, M. G. and Bhandari, Vinay M. and Mishra, Satyendra and Kulkarni, R. D.} } @article { ISI:000263399700004, title = {Utilization of sugarcane bagasse cellulose for producing cellulose acetates: novel use of residual hemicellulose as plasticizer}, journal = {Carbohydrate Polymers}, volume = {76}, number = {1}, year = {2009}, month = {MAR}, pages = {23-29}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Sugarcane bagasse was fractionated to cellulose, hemicellulose and lignin by a proprietary steam explosion process, followed by downstream purifications, developed in our laboratory. The fractionated cellulose contained similar to 94\% cellulose, about similar to 5\% hemicellulose, traces of lignin (similar to 0.2\%), and similar to 1\% ash. The cellulose was acetylated under heterogeneous conditions to obtain cellulose acetates. These were extensively characterized using FTIR, TGA, DSC, GPC, HPIC, WAXRD, and viscometry. The novel feature of this study was the utilization of the hemicellulose content (5\%) of bagasse cellulose as an internal plasticizer. Through kinetic experimentation, we have demonstrated that the residual hemicellulose need not be considered as an impurity; rather it can be used in acetylated form as a plasticizer as well as a biodegradable additive for cellulose acetates made from slightly impure cellulose produced from non-wood origin. Our results therefore show how lignocellulosic agricultural wastes can be utilized to produce high value plastics. (C) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Bagasse cellulose, Cellulose acetate, Hemicellulose, Plasticizer, Sugarcane bagasse, Xylan acetate}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2008.09.014}, author = {Shaikh, Hamid M. and Pandare, Kiran V. and Nair, Greeshma and Varma, Anjanikumar} } @article { ISI:000262449000038, title = {VLS-like growth and characterizations of dense ZnO nanorods grown by e-beam process}, journal = {Journal of Physics D-Applied Physics}, volume = {42}, number = {3}, year = {2009}, month = {FEB}, pages = {035310}, publisher = {IOP PUBLISHING LTD}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

We present a new approach to produce ZnO nanorods in a reproducible manner at a temperature lower than other physical vapour deposition techniques, such as the vapour-liquid-solid mechanism. Arrays of well-aligned ZnO nanorods of uniform diameter have been synthesized on the Si substrate precoated with Au, using a simple electron beam evaporation method without the flow of any carrier gas. Scanning electron microscopy and atomic force microscopy characterizations show that as-grown nanorods are well aligned and uniform in diameter. X-ray diffraction measurements and clear lattice fringes in high-resolution transmission electron microscopy image show the growth of good quality polycrystalline hexagonal ZnO nanorods and a \< 0 0 2 \> growth direction. The polarization-dependent studies of near edge x-ray absorption fine structure (NEXAFS) are performed to investigate the electronic structure of the zinc and oxygen ions. The analysis of NEXAFS spectra at different angles of incidence of photon flux indicates the formation of ZnO nanorods having anisotropic behaviour of O and Zn states. The photoluminescence spectrum exhibits strong ultraviolet emission at 385 nm and the UV-visible spectrum also shows a band-gap transition around 390 nm indicating the good quality of nanorods. The catalytic growth mechanism of the ZnO nanorods is discussed on the basis of experimental results in this work.

}, issn = {0022-3727}, doi = {10.1088/0022-3727/42/3/035310}, author = {Agarwal, Dinesh C. and Chauhan, R. S. and Avasthi, D. K. and Sulania, I. and Kabiraj, D. and Thakur, P. and Chae, K. H. and Chawla, Amit and Chandra, Ramesh and Ogale, S. B. and Pellegrini, G. and Mazzoldi, P.} } @article { ISI:000264541800007, title = {Y-junction nanostructures of palladium: enhanced electrocatalytic properties for fuel cell reactions}, journal = {Journal of Electroanalytical Chemistry}, volume = {627}, number = {1-2}, year = {2009}, month = {MAR}, pages = {58-62}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Here we demonstrate the utility of hierarchically designed alumina templates for the formation of palladium Y-junction nanostructures through a chemical vapor deposition route. These structures exhibit enhanced electrocatalytic activity for the oxidation of formic acid (up to 1020\%) compared to that of platinum Y-junction nanostructures, which could be of immense relevance to portable fuel cell technology, since designing a better electrocatalyst for fuel cell reactions continues to be an important challenge. Apart from the obvious applications in fuel cell electrocatalysis, these Y-junction nanostructures could also act as promising candidates for room temperature hydrogen separation and more importantly as interconnects in molecular scale electronic devices. The present method of fabrication of Y-junction nanostructures using hierarchical alumina templates could be extended to other metallic/semiconducting systems facilitating more general opportunities for such hierarchical designs in nanoelectronics. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {electrocatalysts, fuel cells, Hierarchical structures, Nanostructure, Porous alumina membrane, Y-junctions}, issn = {1572-6657}, doi = {10.1016/j.jelechem.2008.12.021}, author = {Subhramannia, Mahima and Ramaiyan, Kannan and Aslam, Mohammed and Pillai, Vijayamohanan K.} } @article { ISI:000284967000058, title = {Abrupt shear thickening of aqueous solutions of hydrophobically modified poly(N,N {\textquoteleft}-dimethylacrylamide-co-acrylic acid)}, journal = {Macromolecules}, volume = {43}, number = {23}, year = {2010}, month = {DEC}, pages = {10055-10063}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report some new and interesting observations on the abrupt and large shear-induced thickening of aqueous solutions of hydrophobically modified poly(N,N{\textquoteright}-dimethylacrylamide-co-acrylic acid). High molecular weight copolymer was prepared by free radical copolymerization of N,N{\textquoteright}-dimethylacrylamide [DMA] and acrylic acid [AA] and was subsequently modified to different extents using a hydrophobic compound, namely, 3-pentadecylcyclohexylamine [3-PDCA], which is derived from a renewable resource material, cashew nutshell liquid [CNSL]. The structural elucidation of the base copolymer and the hydrophobically modified copolymers was performed by (1)H and (13)C NMR spectroscopy. The zero shear viscosities [eta(0)] of the hydrophobically modified polymers were lower than that of the precursor poly(N,N{\textquoteright}-dimethylacrylamide-co-acrylic acid) until some critical polymer concentration, which increased with increase in hydrophobic modification. Above the critical concentrations, the eta(0) of the hydrophobically modified copolymers surpassed that of the precursor at the same concentration. At moderate shear rates some of these hydrophobically modified copolymers exhibited an abrupt shear-induced thickening in which the viscosity of the samples increased severalfold. We show here from creep experiments that thickening occurs only when the shear rate reaches a critical value, (gamma) over dot(crit), and that the thickened samples can be trapped in different metastable states by controlling the applied stress. Interestingly, the shear thickened samples showed further thickening upon decreasing the applied stress. Eventually, the metastable samples revert to their equilibrium states at characteristic time that depends on (small) probe stress.

}, issn = {0024-9297}, doi = {10.1021/ma1017378}, author = {Lele, Ashish K. and Shedge, Aarti and Badiger, Manohar V. and Wadgaonkar, Prakash and Chassenieux, Christophe} } @article { ISI:000280389500002, title = {Addition of a silyl ketene acetal to alpha,beta-unsaturated cyclic anhydrides}, journal = {Synthetic Communications}, volume = {40}, number = {16}, year = {2010}, month = {JUL}, pages = {PII 924771265}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Addition of [1-methoxy-2 methyl-1-propenyl)-oxy] trimethylsilane (MTS) to unsymmetrical ,-unsaturated cyclic anhydrides (namely, itaconic anhydride and citraconic anhydride) as well as symmetrical anhydrides (namely, maleic anhydride and 2,3-dimethylmaleic anhydride) was investigated. Itaconic anhydride isomerizes to citraconic anhydride in the presence of MTS. In the presence of Lewis acid catalysts (Yb(OTf)3/CH2Cl2), MTS adds to itaconic anhydride at room temperature in a 1,4-fashion. 1,2-Addition is the preferred pathway with both 2,3-dimethyl maleic anhydride and citraconic anhydride.

}, keywords = {1, 2-Addition, 4-addition, cyclic anhydrides, Lewis acid, Silyl ketene acetal}, issn = {0039-7911}, doi = {10.1080/00397910903243815}, author = {Gnaneshwar, Rudhramyna and Sivaram, Swaminathan} } @article { ISI:000273403400066, title = {Adsorption induced enzyme denaturation: the role of polymer hydrophobicity in adsorption and denaturation of alpha-chymotrypsin on allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymers}, journal = {Langmuir}, volume = {26}, number = {2}, year = {2010}, month = {JAN}, pages = {1096-1106}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Effects of changes in hydrophobicity of polymeric support oil structure and activity of alpha-chymotrypsin (E.C.3.4.21.1) have been studied with copolymers of allyl glycidyl ether (AGE) and ethylene glycol dimethacrylate (EGDM) with increasing molar ratio of EGDM to AGE (cross-link density 0.05 to 1.5). The enzyme is readily adsorbed front aqueous buffer at room temperature following Langmuir adsorption isotherms in unexpectedly large amounts (25\% w/w). Relative hydrophobicity of the copolymers has been assessed by studying adsorption of naphthalene and Fmoc-methionine by the series of copolymers from aqueous solutions. Polymer hydrophobicity appears to increase linearly oil increasing cross-link density from 0.05 to 0.25. Further increase in cross-link density Causes a decrease in naphthalene binding but has little effect on binding of Fmoc-Met. Binding of alpha-chymotrypsin to these copolymers follow the trend for Fmoc-methionine binding, rather than naphthalene binding, indicating involvement of polar interactions along with hydrophobic interactions during binding of protein to the polymer. The adsorbed enzyme undergoes extensive denaturation (ca. 80\%) with loss of both tertiary and secondary structure on contact with the copolymers as revealed by fluorescence, CID and Raman spectra of the adsorbed protein. Comparison of enzyme adsorption behavior with Eupergit C, macroporous Amberlite XAD-2, and XAD-7 Suggests that polar interactions of the EGDM ester functional groups with the protein play a significant role in enzyme denaturation.

}, issn = {0743-7463}, doi = {10.1021/la904114u}, author = {Lahari, Challa and Jasti, Lakshmi Swarnalatha and Fadnavis, Nitin W. and Sontakke, Kalpana and Ingavle, Ganesh C. and Deokar, Sarika Babasaheb and Ponrathnam, Surendra} } @article { ISI:000281128700008, title = {Adsorption of nonionic surfactant on silica nanoparticles: structure and resultant interparticle interactions}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {34}, year = {2010}, month = {SEP}, pages = {10986-10994}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Addition of nonionic surfactant, C(12)E(9), to an aqueous dispersion of charge stabilized silica nanoparticles renders particle aggregation reversible. In contrast, aggregation of the same silica particles in aqueous solutions is irreversible. We use a combination of small-angle X-ray scattering (SAXS) and contrast matching small-angle neutron scattering (SANS) to investigate interparticle interactions and microstructure in dispersions of silica particles in aqueous nonionic surfactant solutions. We show that the silica particles interact through a screened Coulombic interaction in aqueous dispersions; interestingly, this interparticle interaction is hard-sphere-like in surfactant solutions. In surfactant solutions, we show that the final surfactant-particle structure can be modeled as 14 micelles adsorbed (on average) on the surface of each silica particle. This gives rise to the short-range interparticle repulsion that makes particle aggregation reversible, and results in the hard sphere interparticle interaction potential. Finally, we show that adsorption of polyethylene imine on the surface of the silica particles prevents adsorption of surfactant micelles on the particle surface.

}, issn = {1520-6106}, doi = {10.1021/jp1033799}, author = {Sharma, Kamendra P. and Aswal, Vinod K. and Kumaraswamy, Guruswamy} } @article {42793, title = {Amino functionalized oligoimides telechelics}, number = {2922/DEL/2010 A}, year = {2010}, month = {AUG}, type = {India Patents}, abstract = {

This invention relates to a process for the preparation of amino functionalized oligoimide telechelics. More particularly it relates to a process for the preparation of soluble oligoimide prepolymers which can be used as matrix resins that can be rapidly cured to form stable polyimides with amino end functionalities. The amino functionalized oligoimide telechelics are suitable for conversion into three dimensional polymeric systems through condensation chemistry such as reaction with oligo epoxies (epoxy-imide resins), polyacids (polyamide imides) and polyhalogenated compounds (poly amine - imides) to form crosslinked structures having enhanced thermal stability and mechanical strength. The polymers prepared by the process of this invention can be used as materials in advanced composites having high temperature stability.

}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Reddy, Krishna Mohan Srinivasulu and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Rajan, Chelanattukizhakkemadath Raman and Deokar, Sarika Babasaheb and Mulani, Khudbudin Baban and Ghorpade, Ravindra V. and Bhongale, Sunil Sitaram and Nalawade, Archana Chetan and Sontakke, Kalpana Vishwanathrao and Shaikh, Wasif Abdul Lateef and Chavan, Nayaku and Qureshi, Mohammed Shadbar and Dhoble, Deepa Arun and Mule, Smita Atmaram and Bhosle, Sonali Madhavrao and Momin, Mohasin Shamshuddin} } @article { ISI:000279803700017, title = {Antibacterial \& antiplasmid activities of Helicteres isora L.}, journal = {Indian Journal of Medical Research}, volume = {132}, number = {1}, year = {2010}, month = {JUL}, pages = {94-99}, publisher = {INDIAN COUNCIL MEDICAL RES}, address = {PO BOX 4911 ANSARI NAGAR, NEW DELHI 110029, INDIA}, abstract = {

Background \& objectives: The multiple drug resistance (MDR) is a serious health problem and major challenge to the global drug discovery programmes. Most of the genetic determinants that confer resistance to antibiotics are located on R-plasmids in bacteria. The present investigation was undertaken to investigate the ability of organic extract of the fruits of Helicteres isora to cure R-plasmids from certain clinical isolates. Methods: Active fractions demonstrating antibacterial and antiplasmid activities were isolated from the acetone extracts of shade dried fruits of H. isora by bioassay guided fractionation. Minimal inhibitory concentration (MIC) of antibiotics and organic extracts was determined by agar dilution method. Plasmid curing activity of organic fractions was determined by evaluating the ability of bacterial colonies (pre treated with organic fraction for 18 h) to grow in the presence of antibiotics. The physical loss of plasmid DNA in the cured derivatives was further confirmed by agarose gel electrophoresis. Results: The active fraction did not inhibit the growth of either the clinical isolates or the strains harbouring reference plasmids even at a concentration of 400 mu g/ml. However, the same fraction could cure plasmids from Enterococcus faecalis, Escherichia coli, Bacillus cereus and E. coli (RP4) at curing efficiencies of 14, 26, 22 and 2 per cent respectively. The active fraction mediated plasmid curing resulted in the subsequent loss of antibiotic resistance encoded in the plasmids as revealed by antibiotic resistance profile of cured strains. The physical loss of plasmid was also confirmed by agarose gel electrophoresis. Interpretation \& conclusions: The active fraction of acetone extract of H. isora fruits cured R-plasmids from Gram-positive and Gram-negative clinical isolates as well as reference strains. Such plasmid loss reversed the multiple antibiotic resistance in cured derivatives making them sensitive to low concentrations of antibiotics. Acetone fractions of H. isora may be a source to develop antiplasmid agents of natural origin to contain the development and spread of plasmid borne multiple antibiotic resistance.

}, keywords = {antibacterial activity, Antibiotic resistance, antiplasmid activity, Helicteres isora, multiple drug resistance, plasmid-curing}, issn = {0971-5916}, author = {Shriram, Varsha and Jahagirdar, Sheetal S. and Latha, C. and Kumar, Vinay and Dhakephalkar, Prashant K. and Rojatkar, Supada and Shitole, Mahadeo G.} } @article { ISI:000273942600008, title = {Antifungal agents, WO2009025733}, journal = {Expert Opinion on Therapeutic Patents}, volume = {20}, number = {1}, year = {2010}, month = {JAN}, pages = {137-143}, publisher = {INFORMA HEALTHCARE}, address = {TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND}, abstract = {

Background: The incidence and prevalence of serious mycoses continues to be a public health problem. These infections are an important cause of morbidity and mortality, especially in immunocompromised patients. The present patent deals with isolation and characterization of a {\textquoteleft}pure{\textquoteright} mixture of two novel isoxazolidinone-containing natural products from two new fungal strains. They have the partial structure of secalonic acid and show very good antifungal activity in mammals and plants and also synergism with other active ingredients. Objective: To analyze the activity of the isoxazolidinone-containing compounds in the present patent. Methods: To review the discovery and development of antifungal compounds in general and secalonic acid related compounds in particular. Conclusion: The research of Parish and collaborators at Merck and Co. has isolated novel antifungal compounds with a new mode of action. These molecules may be considered potential antifungal leads for further clinical study.

}, keywords = {Antifungal agents, CaFT, isoxazolidinone, parnafungins, secalonic acids}, issn = {1354-3776}, doi = {10.1517/13543770903338768}, author = {Sudhir, Pore Vandana and Ranan, Deshpande Sunita and Ganpat, Aher Nilkanth} } @article { ISI:000285081400018, title = {Assessment of Pongamia pinnata (L.) - a biodiesel producing tree species using ISSR markers}, journal = {Current Science}, volume = {99}, number = {10}, year = {2010}, month = {NOV}, pages = {1327-1329}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Sujatha, K. and Rajwade, A. V. and Gupta, V. S. and Hazra, Sulekha} } @inbook { ISI:000275173500011, title = {Bacterial biosurfactants, and their role in microbial enhanced oil recovery (MEOR)}, booktitle = {Biosurfactants}, series = {Advances in Experimental Medicine and Biology}, volume = {672}, year = {2010}, pages = {146-157}, publisher = {Springer-Verlag Berlin}, organization = {Springer-Verlag Berlin}, address = {Heidelberger Platz 3, D-14197 Berlin, Germany}, abstract = {

Surfactants are chemically synthesized surface-active compounds widely used for large number of applications in various industries. During last few years there is increase demand of biological surface-active compounds or biosurfactants which are produced by large number of microorganisms as they exert biodegradability, low toxicity and widespread application compared to chemical surfactants. They can be used as emulsifiers, de-emulsifiers, wetting agents, spreading agents, foaming agents, functional food ingredients and detergents. Various experiments at laboratory scale on sand-pack columns and field trials have successfully indicated effectiveness of biosurfactants in microbial enhanced oil recovery (MEOR).

}, isbn = {978-1-4419-5978-2}, issn = {0065-2598}, author = {Khire, Jayant Malhar}, editor = {Sen, R} } @article {42680, title = {Bacterial synthesis of phtocatalytically active and biocompatible TiO2 and ZnO nanoparticles}, journal = {International Journal of Green Nanotechnology: Physics and Chemistry}, volume = {2}, year = {2010}, month = {DEC}, pages = {80-99}, abstract = {

TiO2 and ZnO nanoparticles are well known for their photocatalytic and ultraviolet (UV)-absorbent properties and have successfully entered into the market as consumer products. Large volume production of these nanoparticles by industries require environmentally friendly processes of synthesis. In this article, we show that when challenged with an appropriate precursor, the bacterium Actinobacter spp. can lead to the extracellular synthesis of ZnO and TiO2 nanoparticles. The biological way of synthesizing these materials probably leads to the in situ doping of elements like C, F, and N into their crystal lattices, which is evidenced by a red shift in the absorption edge. Because the doping is expected to affect the photocatalytic activity of these materials under different light conditions, such investigations have also been undertaken here. Further, the biocompatibility of these nanomaterials (cytotoxicity and genotoxicity) has also been investigated in detail.

}, keywords = {Biosynthesis, genotoxicity, Nanoparticles, Nanotoxicity, Photocatalysis}, doi = {10.1080/19430876.2010.532459}, author = {Singh, Sanjay and Britto, Virginia D. and Bharde, Atul A. and Sastry, Murali and Dhawan, Alok and Bhagavatula L. V. Prasad} } @article { ISI:000284499400011, title = {Base dependent pyrrolidine ring pucker in aep-PNA monomers NMR and PSEUROT analysis}, journal = {Tetrahedron}, volume = {66}, number = {47}, year = {2010}, month = {NOV}, pages = {9165-9170}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The aep-PNA is a chiral and cyclic PNA analogue which has a stronger and base dependent binding affinity with complementary DNA To understand the base dependent properties at monomer level the structural studies of aep-PNA-(T/C/A) monomers have been carried out focussing on the conformational analysis of pyrrolidine ring pucker in aep-PNA by H-1 NMR and the coupling constant data fitted into PSEUROT software The results indicate that the type of pyrrolidine pucker depends on the electronic nature of substituent implying the effect of pyrimidine or purine substituents in determining the ring pucker in monomers This may consequently influence the aep-PNA oligomer conformation Since pyrrolidine nucleic acids have emerged as an important class of PNA analogues present results may have importance for their future development (C) 2010 Elsevier Ltd All rights reserved

}, keywords = {A T G and C, aep PNA, Conformational analysis, DNA RNA and PNA, Pyrrolidine ring}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.09.082}, author = {Sharma, Nagendra K. and Ganesh, Krishna N.} } @article { ISI:000283603000012, title = {Bio-inspired catalyst compositions for enhanced oxygen reduction using nanostructured Pt electrocatalysts in polymer electrolyte fuel cells}, journal = {Journal of Materials Chemistry}, volume = {20}, number = {43}, year = {2010}, month = {SEP}, pages = {9651-9657}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Composites of Nafion with a class of bio-molecules viz., plant hormones, are explored as potential polymer electrolytes for improving the proton transport inside the catalyst layer of a H(2)/O(2) fuel cell. Specifically, four nitrogenous plant hormones, two each from the class of auxins and cytokinins have been investigated, following preliminary characterization of the composite dispersions and membranes. Interestingly, the use of indole-3-acetic acid (an auxin) in the catalyst layer reveals a 30\% enhancement in Pt catalyst utilization and improved fuel cell performance by 150 mW cm(-2). The effect of these bio-molecules on the kinetic and mass transport parameters has been analyzed systematically using a combination of electrochemical and spectroscopic techniques.

}, issn = {0959-9428}, doi = {10.1039/c0jm01774d}, author = {Parthasarathy, Meera and Kannan, Ramaiyan and Sreekumar, Kurungot and Pillai, Vijayamohanan K.} } @article { ISI:000281161700013, title = {Catalytic asymmetric transfer hydrogenation of ketones using [Ru(p-cymene)Cl-2](2) with chiral amino alcohol ligands}, journal = {Catalysis Letters}, volume = {138}, number = {3-4}, year = {2010}, month = {SEP}, pages = {231-238}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Catalytic asymmetric transfer hydrogenation of aromatic alkyl ketones has been investigated using [Ru(p-cymene)Cl-2](2) and new derivatives of beta-amino alcohols synthesized from (S)-(-)-lactic acid and mandelic acid as ligands. Chiral secondary alcohols were obtained with good to excellent conversion (60-90\%) and moderate to good enantioselectivities (40-86\%). Asymmetric transfer hydrogenation of ketones has been investigated using [Ru(p-cymene)Cl-2](2) and beta-amino alcohols synthesized from (S)-(-)-lactic acid and Mandelic acid as ligands. Chiral secondary alcohols were obtained with good to excellent conversion (60-90\%) and moderate to good enantioselectivities (40-86\%).

}, keywords = {Amino alcohol ligand, Asymmetric transfer hydrogenation, Ketones, Ru catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-010-0408-y}, author = {Deshpande, Sudhindra H. and Kelkar, Ashutosh A. and Gonnade, Rajesh G. and Shingote, Savita K. and Chaudhari, Raghunath V.} } @article { ISI:000280708400025, title = {CDASE-A reliable scheme to explain the reactivity sequence between Diels-Alder pairs}, journal = {Physical Chemistry Chemical Physics}, volume = {12}, number = {32}, year = {2010}, month = {JUL}, pages = {9328-9338}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The reliability of the Comprehensive Decomposition Analysis of Stabilization Energy (CDASE) scheme, proposed recently (Phys. Chem. Chem. Phys., 2009, 11, 8306), has been demonstrated in the present study. Reactivity sequence among more than 100 pairs, taking part in Diels-Alder (DA) reaction, is successfully generated by this scheme. The diene series consisted mainly of cis-1,3-butadiene and different substituted butadienes whereas dienophiles are mainly ethylene and its different substitutions. Both the positive energy component (i.e., the energy parameter defined as {\textquoteleft}internal assistance{\textquoteright}) and the negative energy component could generate the expected reactivity trend among the chosen DA pairs, which is also supported by the global electrophilicities of dienes and dienophiles and the corresponding charge-transfer values (Delta N). The numerical values of these components are capable of predicting even the {\textquoteleft}normal electron demand{\textquoteright} (NED) and {\textquoteleft}inverse electron demand{\textquoteright} (IED) nature of the corresponding DA reaction. The method is also capable of reproducing the lower reactivity of acetylene as dienophile when compared to that of ethylene. The reason for the success of CDASE-scheme in explaining intermolecular reactivity sequence is also analysed.

}, issn = {1463-9076}, doi = {10.1039/b925441b}, author = {Saha, Soumen and Roy, Ram Kinkar and Pal, Sourav} } @article { ISI:000277274000042, title = {Chemoselective coupling reactions of 5,7-dimethoxyphthalide with the remotely functionalized alkyl iodides: facile racemic synthesis of helicobacter pylori antibiotics}, journal = {Journal of Organic Chemistry}, volume = {75}, number = {9}, year = {2010}, month = {MAY}, pages = {3121-3124}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Highly chemoselective coupling reactions of 5,7-dimethoxyphthalide carbanion with the remotely functionalized long chain alkyl iodides have been demonstrated to accomplish the concise and efficient synthesis of Helicobacter pylori antibiotics, the CJ-molecules, and sporotricale methyl ether.

}, issn = {0022-3263}, doi = {10.1021/jo100168f}, author = {Singh, Mandeep and N. P. Argade} } @article { ISI:000283589900009, title = {Chemoselective hydrogenation of cinnamaldehyde over Pd/CeO2-ZrO2 catalysts}, journal = {Catalysis Letters}, volume = {140}, number = {1-2}, year = {2010}, month = {NOV}, pages = {55-64}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Selective hydrogenation of cinnamaldehyde over Pd (2 wt\%) supported on CeO2, ZrO2 and CeO2-ZrO2 catalysts is reported for the first time. In general, the olefinic (C=C) group of cinnamaldehyde is preferentially hydrogenated compared to the carbonyl (C=O) group. This selectivity preference could, however, be altered or reversed by adding alkali additives to the catalyst. The influence of additive on the structure and redox properties of the active sites and correlation of that with selective hydrogenation activity is investigated.

}, keywords = {alpha, beta-Unsaturated aldehyde, Ceria-zirconia, Cinnamaldehyde, Hydrogenation, palladium catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-010-0423-z}, author = {Bhogeswararao, Seemala and Srinivas, D.} } @article {42742, title = {Chronic inflammatory responses to microgel-based implant coatings}, journal = {Journal of Biomedical Materials Research}, volume = {94A}, year = {2010}, month = {JUL}, pages = {252-258}, doi = {10.1002/jbm.a.32669}, author = {Bridges, Amanda W. and Whitmire, Rachel E. and Singh, Neetu and Templeman, Kellie L. and Babensee, Julia E. and Lyon, L. Andrew and Garcia, Andres J.} } @article { ISI:000279322700048, title = {Co(III)(salen)-catalyzed HKR of two stereocentered alkoxy- and azido epoxides: a concise enantioselective synthesis of (S,S)-reboxetine and (+)-epi-cytoxazone}, journal = {Chemical Communications}, volume = {46}, number = {27}, year = {2010}, month = {JUN}, pages = {5012-5014}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The HKR of racemic syn- or anti- alkoxy- and azido epoxides catalyzed by Co(salen) complex affords a practical access to a series of enantioenriched syn- or anti- alkoxy- and azido epoxides and the corresponding 1,2-diols. This strategy has been successfully employed in the concise, enantioselective synthesis of bioactive molecules such as (S, S)-reboxetine and (+)-epi-cytoxazone.

}, issn = {1359-7345}, doi = {10.1039/c0cc00650e}, author = {Reddy, R. Santhosh and Chouthaiwale, Pandurang V. and Suryavanshi, Gurunath and Chavan, Vilas B. and Sudalai, Arumugam} } @article { ISI:000282188800021, title = {Colossal thermoelectric power in Gd-Sr manganites}, journal = {EPL}, volume = {91}, number = {1}, year = {2010}, month = {JUL}, pages = {17008}, publisher = {EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY}, address = {6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE}, abstract = {

Manganites belonging to the series Gd(1-x)Sr(x)MnO(3) (x=0.3, 0.4 and 0.5) were prepared by wet solid-state reaction and their thermoelectric power was evaluated. Thermoelectric power measurements revealed a peak value at similar to 40 K. All the samples exhibited a colossal thermopower at similar to 40K and in that Gd(0.5)Sr(0.5)MnO(3) exhibited a maximum value of similar to 35 V/K, which is the largest reported for these class of materials at this temperature. Temperature-dependent magnetisation measurements showed that the samples exhibit a phase transition from paramagnetic to spin-glass-like state at these temperatures. Plausible mechanisms responsible for the observed colossal thermoelectric power in Gd-Sr manganites are discussed. Copyright (C) EPLA, 2010

}, issn = {0295-5075}, doi = {10.1209/0295-5075/91/17008}, author = {Sagar, S. and Ganesan, V. and Joy, Pattayil Alias and Thomas, Senoy and Liebig, A. and Albrecht, M. and Anantharaman, Maliemadom R.} } @article { ISI:000274355800017, title = {Comparison of the auxiliary density perturbation theory and the noniterative approximation to the coupled perturbed kohn-sham method: case study of the polarizabilities of disubstituted azoarene molecules}, journal = {Journal of Physical Chemistry A}, volume = {114}, number = {6}, year = {2010}, month = {FEB}, pages = {2357-2364}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We present a theoretical study of the polarizabilities of free and disubstituted azoarenes employing auxiliary density perturbation theory (ADPT) and the noniterative approximation to the coupled perturbed Kohn-Sham (NIA-CPKS) method. Both methods are noniterative but use different approaches to obtain the perturbed density matrix. NIA-CPKS is different froth the conventional CPKS approach in that the perturbed Kohn-Sham matrix is obtained numerically, thereby yielding a single-step solution to CPKS. ADPT is an alternative approach to the analytical CPKS method in the framework of the auxiliary density functional theory. It is shown that the polarizabilities obtained using these two methods are in good agreement with each other. Comparisons are made for disubstituted azoarenes, which give support to the push-pull mechanism. Both methods reproduce the same trend for polarizabilities because of the substitution pattern of the azoarene moiety. Our results are consistent with the standard organic chemistry {\textquoteleft}{\textquoteleft}activating/deactivating{\textquoteright}{\textquoteright} sequence. We present the polarizabilities of the above molecules calculated with three different exchange-correlation functionals and two different auxiliary function sets. The computational advantages of both methods are also discussed.

}, issn = {1089-5639}, doi = {10.1021/jp909966f}, author = {Shedge, Sapana V. and Carmona-Espindola, Javier and Pal, Sourav and Koster, Andreas M.} } @article { ISI:000280597500004, title = {Conformational and functional transitions in class II alpha-mannosidase from aspergillus fischeri}, journal = {Journal of Fluorescence}, volume = {20}, number = {4}, year = {2010}, month = {JUL}, pages = {827-836}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The conformational transitions in an oligomeric and high molecular weight class II alpha-mannosidase from Aspergillus fischeri were examined using fluorescence and CD spectroscopy under chemical, thermal and acid denaturing conditions. The enzyme lost the activity first and then the overall folded conformation and secondary structure. The midpoint values of GdnHCl mediated changes measured by inactivation; fluorescence and negative ellipticity were 0.48 M, 1.5 M and 1.9 M, respectively. The protein almost completely unfolded in 4.0 M GdnHCl but not at 90 A degrees C. The inactivation and unfolding were irreversible. At pH 2.0, the protein exhibited molten-globule like intermediate with rearranged secondary and tertiary structures and exposed hydrophobic amino acids on the surface. This species showed increased accessibility of Trp to the quenchers and got denatured with GdnHCl in a different manner. The insoluble aggregates of a thermally denatured protein could be detected only in the presence of 0.25-0.75 M GdnHCl.

}, keywords = {Aggregation, alpha-Mannosidase, ANS binding, Circular dichroism, fluorescence, GdnHCl, Hydrobicity, Thermal denaturation}, issn = {1053-0509}, doi = {10.1007/s10895-010-0625-1}, author = {Shashidhara, K. S. and Gaikwad, Sushama M.} } @article { ISI:000281980600018, title = {Conformational polymorphism in racemic 2,4-Di-o-Benzoyl-6-o-Tosyl myo-Inositol 1,3,5-Orthoacetate}, journal = {Journal of Structural Chemistry}, volume = {51}, number = {4}, year = {2010}, month = {AUG}, pages = {725-730}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The title compound, C(29)H(26)O(10)S, yields two conformational polymorphs concomitantly from dichloromethane-methanol mixture; the major polymorph grows as plates (Form I, monoclinic, P2(1)/n) and the minor polymorph grows as needles (Form II, triclinic, P-1). The two forms differ mainly in orientation of the tosyl group. In Form I, sulfonyl oxygen of the tosyl group makes intermolecular C -HaEuro broken vertical bar O interactions, whereas the same group in Form II is involved in an intramolecular short dipolar S=OaEuro broken vertical bar C=O (sulfonyl-carbonyl) contact. The molecular organization and the influence of various weak non-covalent interactions that stabilize these conformers in the crystal lattices are discussed.

}, keywords = {Conformation, crystal structure, dipolar interactions, Inositol, non-covalent interactions, polymorphism, sulfonyl-carbonyl contact}, issn = {0022-4766}, doi = {10.1007/s10947-010-0107-y}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, M. S.} } @article { ISI:000283700200020, title = {Convenient approach to the synthesis of different types of schiff{\textquoteright}s bases and their metal complexes}, journal = {Chemistry Letters}, volume = {39}, number = {10}, year = {2010}, month = {OCT}, pages = {1078-1079}, publisher = {CHEMICAL SOC JAPAN}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

Various metal complexes derived from different Schiff bases are conveniently prepared using solvent-free condensation reactions in one-pot synthesis, resulting in significantly enhanced yields Initial calorimetric studies, and/or TGA of reaction mixtures, led to better optimization of reaction conditions The ligands like mines, hydrazones, semicarbazones, and nitrones are also synthesized by this method, thus this process is general and expedient

}, issn = {0366-7022}, doi = {10.1246/cl.2010.1078}, author = {Pradhan, Kiran and Selvaraj, Kaliaperumal and Nanda, Ashis K.} } @article { ISI:000280605900013, title = {Coupling growth-factor engineering with nanotechnology for therapeutic angiogenesis}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {107}, number = {31}, year = {2010}, month = {AUG}, pages = {13608-13613}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

Therapeutic angiogenesis is an emerging paradigm for the management of ischemic pathologies. Proangiogenic Therapy is limited, however, by the current inability to deliver angiogenic factors in a sustained manner at the site of pathology. In this study, we investigated a unique nonglycosylated active fragment of hepatocyte growth factor/scatter factor, 1K1, which acts as a potent angiogenic agent in vitro and in a zebrafish embryo and a murine matrigel implant model. Furthermore, we demonstrate that nanoformulating 1K1 for sustained release temporally alters downstream signaling through the mitogen activated protein kinase pathway, and amplifies the angiogenic outcome. Merging protein engineering and nanotechnology offers exciting possibilities for the treatment of ischemic disease, and furthermore allows the selective targeting of downstream signaling pathways, which translates into discrete phenotypes.

}, keywords = {cardiovascular disease, HGF/SF, ischemic disease, nanoparticle, protein engineering}, issn = {0027-8424}, doi = {10.1073/pnas.1006007107}, author = {Roy, Rituparna Sinha and Soni, Shivani and Harfouche, Rania and Vasudevan, Pooja R. and Holmes, Oliver and de Jonge, Hugo and Rowe, Arthur and Paraskar, Abhimanyu and Hentschel, Dirk M. and Chirgadze, Dimitri and Blundell, Tom L. and Gherardi, Ermanno and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article { ISI:000284052600021, title = {Covalently immobilized triphenylphosphine rhodium complex: synthesis, characterization, and application in catalytic olefin hydrogenation}, journal = {Chemcatchem}, volume = {2}, number = {11}, year = {2010}, month = {NOV}, pages = {1477-1482}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

A trimethoxysilane functionalized triphenylphosphine was coordinated to rhodium(I) and the resulting rhodium complex was covalently bound to a mesoporous SBA-15 support. The catalytic activity of this hybrid material was studied for the hydrogenation of 2-cyclohexen-1-one and compared with the corresponding homogeneous catalyst. According to the (31)P-MAS NMR data, the catalytically active species was stable against oxidation; no structural change could be detected after exposing it to air for more than two months. Transmission electron microscopy (TEM) measurements on the used catalyst confirmed that the rhodium species was also stable against reduction to the metal because the formation of rhodium nanoparticles during the catalysis could be excluded. The kinetic curves of the recycled system confirmed that this hybrid catalyst shows excellent activity, selectivity, stability, and reusability, and is truly heterogeneous in the hydrogenation reaction.

}, keywords = {alkenes, heterogeneous catalysis, Hydrogenation, mesoporous materials, Rhodium}, issn = {1867-3880}, doi = {10.1002/cctc.201000133}, author = {Wang, Lei and Jia, Mingjun and Shylesh, Sankaranarayanapillai and Philippi, Thomas and Seifert, Andreas and Ernst, Stefan and Singh, Anand Pal and Thiel, Werner R.} } @article { ISI:000275769700022, title = {Crystal structure, NMR and theoretical investigations on 2-(o-hydroxy-anilino)-1,4-napthoquinone}, journal = {Journal of Molecular Structure}, volume = {966}, number = {1-3}, year = {2010}, month = {MAR}, pages = {144-151}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Crystal structure, (1)H NMR and cyclic voltammetric investigations of 2-(o-hydroxy-anilino)-1,4-napthoquinone (HAN), resulting from coupling of aminophenol with 2-hydroxy-1,4-napthoquinone, have been carried out. X-ray structure reveals that the HAN ligand crystallizes in orthorhombic space group Pca2(1) with Z = 4. forming a chain via inter-molecular O2 center dot center dot center dot H1A-O1 and C15-H15 center dot center dot center dot O3 interactions. Both (1)H NMR and cyclic voltammetry experiments suggest the titled ligand is associated and exists as dinner in d(6)-DMSO while the monomer has been predicted in CDCl(3) solution. Density functional calculations can be utilized to gauge the strength of hydrogen-bonded interactions from the (1)H chemical shifts in the NMR spectra. Self-consistent reaction field (SCRF) calculations further support the inferences drawn from cyclic voltammetry experiments. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {(1)H NMR, cyclic voltammetry, Density functional, hydrogen bonding, Napthoquinone}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2009.12.029}, author = {Feizi, Nourollah and Pinjari, Rahul V. and Gejji, Shridhar P. and Sayyed, Fareed B. and Gonnade, Rajesh G. and Rane, Sandhya Y.} } @article { ISI:000278165900028, title = {Crystallization and preliminary X-ray diffraction analysis of various enzyme-substrate complexes of isopropylmalate dehydrogenase from thermus thermophilus}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {66}, number = {6}, year = {2010}, month = {JUN}, pages = {738-743}, publisher = {WILEY-BLACKWELL PUBLISHING, INC}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The Thermus thermophilus 3-isopropylmalate dehydrogenase (Tt-IPMDH) enzyme catalyses the penultimate step of the leucine-biosynthesis pathway. It converts (2R,3S)-3-isopropylmalate to (2S)-2-isopropyl-3-oxosuccinate in the presence of divalent Mg(2+) or Mn(2+) and with the help of NAD(+). In order to elucidate the detailed structural and functional mode of the enzymatic reaction, crystals of Tt-IPMDH were grown in the presence of various combinations of substrate and/or cofactors. Here, the crystallization, data collection and preliminary crystallographic analyses of six such complexes are reported.

}, issn = {1744-3091}, doi = {10.1107/S174430911001626X}, author = {Merli, Angelo and Manikandan, Karuppasamy and Graczer, Eva and Schuldt, Linda and Singh, Rajesh Kumar and Zavodszky, Peter and Vas, Maria and Weiss, Manfred S.} } @article { ISI:000273922200025, title = {Crystal-to-crystal thermal phase transition amongst dimorphs of hexa-O-p-toluoyl-myo-inositol conserving two-dimensional isostructurality}, journal = {Crystengcomm}, volume = {12}, number = {2}, year = {2010}, month = {SEP}, pages = {478-484}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Triclinic (P-1) crystals of hexa-O-p-toluoyl-myo-inositol obtained from common organic solvents exhibited single crystal-to-single crystal irreversible phase transition centered at similar to 250 degrees C. The transformation of these crystals to monoclinic P2(1)/n form was revealed using DSC and X-ray diffraction studies. The latter crystals could also be produced by melt crystallization. Crystal structure analysis revealed that the molecules in both forms are linked via bifurcated C-H center dot center dot center dot O interactions to make almost identical centrosymmetric dimers. The neighbouring dimers are bridged via C-H center dot center dot center dot O and aromatic pi center dot center dot center dot pi stacking interactions to create two-dimensional isostructural assemblies. The difference in the two crystal forms arises from linking of the centrosymmetric dimers along the third dimension; the dimers are centrosymmetrically bridged in the triclinic form, while they have n-glide relationship in the monoclinic form. Comparison of the dimorph structures further revealed that they are actually an excellent case of morphotropism since dimorphs are related by non crystallographic rotation and translation of their basic motif (centrosymmetric dimers) that transforms the triclinic (P-1) phase to a monoclinic (P2(1)/n) phase.

}, issn = {1466-8033}, doi = {10.1039/b910546h}, author = {Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Shashidhar, Mysore S.} } @article { ISI:000276010000034, title = {Cytotoxic activity of 9,10-dihydro-2,5-dimethoxyphenanthrene-1,7-diol from Eulophia nuda against human cancer cells}, journal = {Journal of Ethnopharmacology}, volume = {128}, number = {1}, year = {2010}, month = {MAR}, pages = {251-253}, publisher = {ELSEVIER IRELAND LTD}, address = {ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND}, abstract = {

Ethnopharmacological relevance: Eulophia nuda L. (Orchidaceae) is a medicinally important terrestrial orchid used for the treatment of tumours and various health problems by the local healers throughout the Western Ghats region in Maharashtra (India). Aim of the study: To isolate the active molecule from Eulophia nuda and to study its cytotoxic potential against human cancer cells. Materials and methods: The crude methanolic extract of Eulophia nuda tubers was fractionated by stepwise gradient of the solvents chloroform-methanol to isolate the pure compound. Isolated pure compound was assessed for its cytotoxic potential against human breast cancer cell lines, MCF-7 and MDA-MB-231 using MTT assay. Structure elucidation of the isolated active compound was carried out by extensive spectroscopic analysis including (1)H NMR, (13)C NMR, NOESY, COSY, LC-MS and IR. Results: The isolated active molecule was identified as phenanthrene derivative 9,10-dihydro-2,5-dimethoxyphenanthrene-1,7-diol. This compound showed good antiproliferative activity against human breast cancer cell lines MCF-7 (91\%) and MDA-MB-231 (85\%) at 1000 mu g/ml concentration. Conclusion: 9,10-Dihydro-2,5-dimethoxyphenanthrene-1,7-diol from Eulophia nuda tubers showed good growth suppressive effect against human cancer cell lines MCF-7 and MDA-MB-231 making it a potential biomolecule against human cancer. (C) 2009 Elsevier Ireland Ltd. All rights reserved.

}, keywords = {Cytotoxic activity, Eulophia nuda, Phenanthrene derivatives}, issn = {0378-8741}, doi = {10.1016/j.jep.2009.12.031}, author = {Shriram, Varsha and Kumar, Vinay and Kishor, P. B. Kavi and Suryawanshi, Sharad B. and Upadhyay, Ankur K. and Bhat, Manoj K.} } @article { ISI:000274207800015, title = {Cytotoxic and genotoxic assessment of glycolipid-reduced and -capped gold and silver nanoparticles}, journal = {New Journal of Chemistry}, volume = {34}, number = {2}, year = {2010}, month = {NOV}, pages = {294-301}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A systematic cytotoxic and genotoxic evaluation of glycolipid-conjugated silver and gold nanoparticles is carried out. These glycolipid nanoparticle conjugates are obtained by exploiting the reductive capability of a class of glycolipids called sophorolipids that play the role of capping agent as well. Further, when tested for their cytotoxicity and genotoxicity on HepG2 cells, these nanoparticles are found to be cytocompatible up to 100 mu M metal concentrations. Of the two metallic systems investigated, gold nanoparticles are found to be more cytocompatible than the same concentrations of silver nanoparticles. Similarly, it is also demonstrated that at 100 mu M, silver nanoparticles cause more DNA damage compared to gold nanoparticles of similar concentrations.

}, issn = {1144-0546}, doi = {10.1039/b9nj00277d}, author = {Singh, Sanjay and D{\textquoteright}Britto, Virginia and Prabhune, Asmita and Ramana, C. V. and Dhawan, Alok and Bhagavatula L. V. Prasad} } @article { ISI:000281754000029, title = {DFT Study of lewis base interactions with the MgCl2 surface in the ziegler-natta catalytic system: expanding the role of the donors}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {37}, year = {2010}, month = {SEP}, pages = {15771-15781}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We present a computational study, using density functional theory, of the role of internal and external donors in supported heterogeneous Ziegler-Natta polymerization catalyst systems. The focus of the investigation is the ability of the donors to stabilize the MgCl2 support through the zip mode of coordination. Phthalates and alkoxy benzoates have been considered as representative internal and external donors, respectively. Models for the alpha (ccp) and the beta (hcp) phases of the (110) MgCl2 lateral cut have been considered. Studies were first done with a {\textquoteleft}{\textquoteleft}Fully Fixed Model{\textquoteright}{\textquoteright}, where the atoms in the MgCl2 lateral cuts were kept fixed. The studies indicated that the phthalate donors would preferentially stabilize the alpha phase of MgCl2, while the alkoxy benzoate donors would stabilize the beta phase more, corroborating experimental results. A comparison of the zip coordination mode with other modes of coordination (mono, chelate, and bridge) indicates that it would be preferred over the mono and chelate coordination modes and be competitive with the bridge coordination mode. The validity of the Fully Fixed Model was then tested by doing calculations with the Partially Relaxed (some of the magnesium and chlorine atoms unfixed) and the Fully Relaxed (all atoms free) Models. The results from the latter two models corrected some of the discrepancies that had been observed for the Fully Fixed Model in comparison to previous experimental and computational investigations but were in general agreement with the Fully Fixed Model, indicating that the overall conclusions drawn with the earlier model are correct. Insertion studies done on an octahedrally coordinated titanium site flanked by two zip-coordinated phthalate donor molecules indicated that the zip-coordinating donors can confer exceptional regioselectivity to the titanium center. A list of potential donors that could serve as external donors, with di-iso-butyl phthalate (DIBP) as the internal donor, was investigated, and it was found that 1,3-diethers would serve as the best external donors to DIBP.

}, issn = {1932-7447}, doi = {10.1021/jp106673b}, author = {Vanka, Kumar and Singh, Gurmeet and Iyer, Divya and Gupta, Virendra K.} } @article {42727, title = {Direct hydrogenation of amides to alcohols and amines under mild conditions}, journal = {Journal of the American Chemical Society}, volume = {132}, year = {2010}, month = {NOV}, pages = {16756{\textendash}16758}, abstract = {

The selective, direct hydrogenation of amides to the corresponding alcohols and amines with cleavage of the C-N bond was discovered. The expected products of C-O cleavage are not formed (except as traces in the case of anilides). The reaction proceeds under mild pressure and neutral, homogeneous conditions using a dearomatized, bipyridyl-based PNN Ru(II) pincer complex as a catalyst. The postulated mechanism involves metal-ligand cooperation by aromatization-dearomatization of the heteroaromatic pincer core and does not involve hydrolytic cleavage of the amide. The simplicity, generality, and efficiency of this environmentally benign process make it attractive for the direct transformations of amides to alcohols and amines in good to excellent yields.

}, doi = {10.1021/ja1080019}, author = {Balaraman, Ekambaram and Gnanaprakasam, Boopathy and Shimon, Linda J. W. and Milstein, David} } @article { ISI:000284386100046, title = {Direct transfer of micro-molded electrodes for enhanced mass transport and water management in PEMFC}, journal = {Electrochemistry Communications}, volume = {12}, number = {11}, year = {2010}, month = {NOV}, pages = {1638-1641}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Soft lithography technique is used to micropattern the electrodes on the electrolyte membrane of polymer electrolyte fuel cell (PEMFC) in order to alleviate the issues due to poor water management and inadequate reactant distribution in the fuel cell environment. Membrane electrode assembly with the micropatterned electrode has shown an increase in power density at a higher temperature as well as at a higher relative humidity when compared to a flat electrode. Consistency in cell performance is observed in the case of micropatterned electrodes. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Bipolar plate-less PEM fuel cell, Micropatterned electrodes, Microtransfer molding, Soft lithography}, issn = {1388-2481}, doi = {10.1016/j.elecom.2010.09.015}, author = {Deshmukh, Ashvini B. and Kale, Vinayak S. and Dhavale, Vishal M. and Sreekumar, K. and Vijayamohanan, K. and Shelke, Manjusha V.} } @article { ISI:000278534900028, title = {D-(-)-Lactic acid production from cellobiose and cellulose by Lactobacillus lactis mutant RM2-24}, journal = {Green Chemistry}, volume = {12}, number = {6}, year = {2010}, month = {MAY}, pages = {1106-1109}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Lactobacillus lactis mutant RM2-24 utilizes cellobiose efficiently, converting it into D-(-)-lactic acid. Cellobiose-degrading enzyme activities were determined for whole cells, cell extracts and disrupted cells. Aryl-beta-glucosidase activity was detected in whole cells and disrupted cells, suggesting that these activities are confined to the cells. The mutant produced 80 g l(-1) of lactic acid from 100 g l(-1) of cellobiose with 1.66 g l(-1) h(-1) productivity. Production of D-lactic acid from different cellulose samples was also studied. The cellulose samples at high concentration (10\%) were hydrolyzed by cellulase enzyme preparation (10 FPU g(-1) cellulose) derived from Penicillium janthinellum mutant EU1 generated in our own laboratory. We obtained a maximum 72\% hydrolysis, yielding glucose and cellobiose as the main end products. Lactic acid was produced from these cellulose samples by simultaneous sacchari. cation and fermentation (SSF) in a media containing a cellulase enzyme preparation derived from Penicillium janthinellum mutant EU1 and cellobiose utilizing Lactobacillus lactis mutant RM2-24. A maximum lactic acid concentration of 73 g l(-1) was produced from a concentration of 100 g l(-1) of bagasse-derived cellulose, the highest productivity and yield being 1.52 g l(-1) h(-1) and 0.73 g g(-1), respectively. Considering that bagasse is a waste material available in abundance, we propose to use this biomass to produce cellulose and then sugars, which can be fermented to valuable products such as ethanol and lactic acid.

}, issn = {1463-9262}, doi = {10.1039/b925975a}, author = {Singhvi, Mamta and Joshi, Dipti and Adsul, Mukund G. and Varma, Anjanikumar and Gokhale, Digambar V.} } @article { ISI:000278592400024, title = {Effect of Fe3O4 on morphology of Fe-SnO2 hyperbranched heterostructures}, journal = {Chemical Physics Letters}, volume = {493}, number = {1-3}, year = {2010}, month = {JUN}, pages = {121-125}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple modified thermal evaporation technique is employed for the synthesis of microstructured Fe:SnO2 system and their plausible growth mechanism has been proposed based on the results from various characterization techniques. Such structures grow in two steps; initially, growth of Fe core takes place from Fe3O4 source which acts as nucleating site for SnO2 growth on its surface as per the vapor-liquid- solid progression. Moreover, the composition of Fe/Sn source and temperature are found to have key roles in governing their morphology. XPS studies clearly demonstrate the presence of Fe species, which acts as a catalyst along with source for hetero-structure growth with SnO2. (C) 2010 Published by Elsevier B.V.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2010.05.019}, author = {Sathe, Bhaskar R. and Walke, Pravin S. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K.} } @article { ISI:000284374500018, title = {Effect of gamma-dose rate on biodegradation of gamma-sterilized biomedical polyolefins}, journal = {Journal of Polymers and the Environment}, volume = {18}, number = {4}, year = {2010}, month = {DEC}, pages = {600-607}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The aim of the present study is to study the effect of gamma-dose rate on the biodegradation of gamma-sterilized polyolefins. Films of isotactic polypropylene, high density polyethylene and ethylene-propylene (EP) copolymer were sterilized under gamma-radiation with doses of 10 and 25 kGy. Two different (60)Co sources were used with dose rate 600 and 780 Gy h(-1). Neat and sterilized samples were incubated in compost and fungal culture environments. The changes in functional groups, surface morphology and intrinsic viscosity in polymer chains were characterized by FT-IR spectroscopy, SEM and viscometric measurements, respectively. It was observed that both gamma-degradation and biodegradation processes depend on the dose rate of gamma-source. It was found that the biodegradation of gamma-sterilized polyolefins in composting and microbial culture environments increased with decreasing the gamma-dose rate.

}, keywords = {Biodegradation, Composting and fungal culture, gamma-Dose rate, Polyolefins, Sterilization}, issn = {1566-2543}, doi = {10.1007/s10924-010-0217-9}, author = {Alariqi, Sameh A. S. and Singh, R. P.} } @article {42747, title = {Effect of nanoparticle conjugation on gene silencing by RNA interference}, journal = {Journal of American Chemical Society}, volume = {132}, year = {2010}, month = {JUN}, pages = {8241-8243}, doi = {10.1021/ja102132e}, author = {Singh, Neetu and Agrawal, Amit C. and Leung, Anthony K. L. and Sharp, Phillip A. and Bhatia, Sangeeta N.} } @article { ISI:000284326800032, title = {Effect of sub-lethal concentrations of insect growth regulator, lufenuron on larval growth and development of Aedes aegypti}, journal = {Current Science}, volume = {99}, number = {9}, year = {2010}, month = {NOV}, pages = {1256-1259}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

The effect of sub-lethal concentrations (LC20 = 0.0002 and 0.001 ppm, and LC40 = 0.002 and 0.02 ppm for II and IV instar larvae respectively) of a dispersible concentrate formulation of the insect growth regulator, lufenuron on larval growth and development of Aedes aegypti was studied. When II and IV instar larvae were subjected to the above-mentioned sub-lethal concentrations of lufenuron through the culture medium, there was a significant increase in the time taken for pupation (17.2 +/- 0.74 and 11.4 +/- 0.8 days for II and IV instar LC20-treated larvae respectively, and 19 +/- 0.89 and 14.6 +/- 1.0 days for II and IV instar LC40-treated larvae respectively). Also, there was increase in the time taken for adult emergence 3.8 +/- 0.83 and 5.4 +/- 0.83 days from pupation of LC40-treated II and IV instar larvae respectively). There was 28.1 +/- 2.06\% and 43.59 +/- 0.87\% reduction in pupation in LC20 of lufenuron-treated II and IV instar A. aegypti larvae respectively. Also, with LC20 of lufenuron-treated II and IV instar larvae there was 43.54 +/- 5.12\% and 43.59 +/- 0.87\% reduction in adult emergence respectively. Further, it was observed that II instar larvae treated with LC20 of lufenuron developed into 25.8 +/- 2.08\% deformed adults. In LC40-treated II instar larvae there was 33.72 +/- 2.38\% reduction in pupation and 63.44 +/- 4.76\% reduction in adult emergence. Also, it was observed that there was 54.84 +/- 3.9\% and 61.3 +/- 5.2\% reduction in pupation and adult emergence respectively, in IV instar larvae treated with LC40 of lufenuron. The reduction in pupation of the IV instar larvae treated with LC40 of lufenuron was due to failure of the larvae to undergo pupation. These studies are fundamental to the use of lufenuron in A. aegypti management.

}, keywords = {Aedes aegypti, larval growth and development, lufenuron, sub-lethal concentration}, issn = {0011-3891}, author = {Salokhe, S. G. and Mukherjee, Samindra N. and Deshpande, S. G. and Ghule, V. P. and Mathad, J. R.} } @article { ISI:000275706100023, title = {Elucidation of the role of hexamine and other precursors in the formation of magnetite nanorods and their stoichiometry}, journal = {Physical Chemistry Chemical Physics}, volume = {12}, number = {13}, year = {2010}, month = {FEB}, pages = {3246-3253}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Hexamine is known to assist anisotropic growth of metal oxides and the same is also found to be true for magnetite nanosynthesis. In this work we elucidate the role of hexamine and other precursors in the formation of magnetite nanorods by the hydrothermal route and their stoichiometry. Various others hydrolyzing agents such as sodium hydroxide (NaOH), sodium hydroxide + hexamine, ammonia (NH(3)), ammonia + formaldehyde are also studied. The synthesized nanoparticles are characterized with the help of various techniques such as X-ray diffraction (XRD), FT-IR spectroscopy, UV-VIS-NIR spectroscopy, transmission electron microscopy (TEM), Mossbauer spectroscopy and SQUID magnetization measurements. It is found that only when ferric chloride, ferrous ammonium sulfate (FAS) and hexamine are used, well defined nanorods are formed. When sodium hydroxide and hexamine are used as a hydrolyzing system nearly spherical nanoparticles with small size (similar to 13 nm) are formed, as compared to the case of sodium hydroxide alone which leads to bigger cube like nanoparticles. Interestingly the decomposition products of hexamine do not lead to nanorod formation. Thus, slow decomposition of hexamine at elevated temperature and the consequent slow rise in pH is the key to the anisotropic growth of the iron oxide system.

}, issn = {1463-9076}, doi = {10.1039/b917407a}, author = {Singh, Hema and Bhagwat, Shrikant and Jouen, Samuel and Lefez, Benoit and Athawale, Anjali A. and Hannoyer, Beatrice and Ogale, Satishchandra} } @article { ISI:000279746300009, title = {Enantioselective synthesis of (+)-alpha-conhydrine and (-)-sedamine by L-proline-catalysed alpha-aminooxylation}, journal = {European Journal of Organic Chemistry}, number = {18}, year = {2010}, month = {JUN}, pages = {3437-3444}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

An efficient organocatalytic approach to the enantioslective synthesis of two important piperidine alkaloids, namely (+)-alpha-conhydrine (98\% ee) and (-)-sedamine (95\% ee), by L-proline-catalysed alpha-aminooxylation of aldehydes has been developed. The strategy involves an intramolecular cyclization to construct the piperidine core.

}, keywords = {alkaloids, Amino acids, Aminooxylation, Enantioselectivity, organocatalysis}, issn = {1434-193X}, doi = {10.1002/ejoc.201000169}, author = {Shaikh, Tanveer Mahamadali and Sudalai, Arumugam} } @article { ISI:000283216900029, title = {Enhancement of anisotropic conductivity, elastic, and dielectric constants in a liquid crystal-gold nanorod system}, journal = {Applied Physics Letters}, volume = {97}, number = {15}, year = {2010}, month = {OCT}, pages = {151913}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

We report electrical conductivity (sigma), dielectric constant (epsilon) and the elastic constant measurements in a nematic liquid crystal (LC) doped with small concentrations of gold nanorods. This LC-nanoparticle complex, shows not only orders of magnitude higher sigma, but also stabilizes its anisotropy. The epsilon data suggests an increased ordering in the nematic phase, and an improved antiparallel correlation of the molecules in the isotropic phase. Surprisingly, an anisotropic enhancement of the Frank elasticity is also seen. We suggest a possible electro/magnetomechanical conductivity switch and also provide explanations based on the aspect ratio of the nanoparticles vis-a-vis the LC molecules. (c) 2010 American Institute of Physics. [doi:10.1063/1.3499744]

}, issn = {0003-6951}, doi = {10.1063/1.3499744}, author = {Sridevi, S. and Prasad, S. Krishna and Nair, Geetha G. and D{\textquoteright}Britto, Virginia and Bhagavatula L. V. Prasad} } @article { ISI:000282471100001, title = {Enhancement of thermal stability and phase relaxation behavior of chitosan dissolved in aqueous l-lactic acid: using {\textquoteleft}silver nanoparticles{\textquoteright} as nano filler}, journal = {Macromolecular Research}, volume = {18}, number = {8}, year = {2010}, month = {AUG}, pages = {713-720}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Chitosan films with various compositions of silver nanoparticles were prepared by solution casting with an aqueous solution of chitosan and l-lactic acid. The chitosan/Ag nanocomposites were characterized by wide angle Xray diffraction (WAXD) and UV-vis spectroscopy. An analysis of the surface topography and size of the Ag nanoparticles (\<= 100 nm) were characterized by scanning electron microscopy (SEM) and atomic force microscopy (AFM), respectively. Thermogravimetric analysis (TGA/DTA) confirmed the increase in thermal stability with increasing Ag nanoparticle content in the nanocomposites. Dynamic thermal analysis (DMA) was used to examine the phase relaxation behavior of chitosan and its nanocomposites. The conductivity of chitosan/Ag nanocomposites was considered with respect to the frequency. Contact angle measurements were used to characterize the surface twistability, surface cleanliness, and hydrophilic/hydrophobic nature of the surface.

}, keywords = {Chitosan, conductivity, contact angle, relaxation, silver nanoparticles}, issn = {1598-5032}, doi = {10.1007/s13233-010-0801-9}, author = {Rana, V. K. and Pandey, Asutosh K. and Singh, Raj Pal and Kumar, B. and Mishra, Satyendra and Ha, Chang-Sik} } @article { ISI:000280463000017, title = {Exfoliation of clay layers in polypropylene matrix using potassium succinate-g-polypropylene as compatibilizer}, journal = {Composites Science and Technology}, volume = {70}, number = {10}, year = {2010}, month = {SEP}, pages = {1550-1556}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The efficiency of potassium succinate-g-polypropylene (KPPSA) as compatibilizer for the dispersion of clay in a high molecular weight polypropylene during melt mixing for the preparation of nanocomposites was evaluated and compared with maleic anhydride-g-polypropylene (PPMA). Nanocomposites were prepared by direct melt mixing and by masterbatch methods and the structure obtained was characterized by WAXD and TEM. The exfoliation and better dispersion of the organoclay was observed with KPPSA than PPMA. The dispersion of clay was found to be dependent on the method of preparation, type and the amount of compatibilizer used. The dispersion was better when the nanocomposites were prepared by two step masterbatch route than the single step direct mixing method. Flexural moduli and crystallization behavior were studied and correlated with the dispersion of organoclay in the PP matrix. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {differential scanning calorimetry, Mechanical property, Nano composites, Nanoclays, polypropylene}, issn = {0266-3538}, doi = {10.1016/j.compscitech.2010.05.021}, author = {Rama, Mallikarjuna Shroff and Neppalli, Ramesh and Chellaswamy, Ramesh and Swaminathan, Sivaram} } @article { ISI:000273400300004, title = {Experimental and theoretical study on the remarkable influence of protecting groups on the selectivity of addition of amines to vinyl sulfone-modified hex-2-enopyranosides}, journal = {Journal of Organic Chemistry}, volume = {75}, number = {2}, year = {2010}, month = {JAN}, pages = {303-314}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Although phenylmethylene-protected vinyl sulfone-modified carbohydrate 2 alpha reacts with both primary and secondary amines in Michael fashion to afford aminated products, only primary amines react with the dibenzyl-protected 3 alpha, 6-O-trityl-protected 4 alpha, and unprotected 5 alpha, highlighting for the first time the remarkable influence of protecting, groups on the reaction patterns of vinyl sulfone-modified carbohydrates. The quantum chemical calculations suggest that the Michael addition of amines and proton transfer to vinyl sulfone-modified carbohydrates 2 alpha and 5 alpha are possible via relay process in a concerted mechanism. These calculations reveal that the addition of primary amines to vinyl sulfone-modified carbohydrate is preferential due to the low activation energy barriers, whereas the addition of secondary amines has relatively higher activation energy barriers. The theoretical conclusions are in line with the experimental observations.

}, issn = {0022-3263}, doi = {10.1021/jo902046g}, author = {Bhattacharya, Rahul and Kesharwani, Manoj K. and Manna, Chinmoy and Ganguly, Bishwajit and Suresh, Cheravakattu G. and Pathak, Tanmaya} } @article { ISI:000284238000010, title = {Fabrication of homogeneous nanoparticle/nanoneedle BaTiO3 and Ba0.8Sr0.2TiO3 smooth thin films by simple dip coating}, journal = {International Journal of Nanotechnology}, volume = {7}, number = {9-12, SI}, year = {2010}, month = {DEC}, pages = {919-931}, publisher = {INDERSCIENCE ENTERPRISES LTD}, address = {WORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 896, CH-1215 GENEVA, SWITZERLAND}, abstract = {

Ferroelectric BaTiO3 (BTO) and Ba0.8Sr0.2TiO3 (BSTO) thin film materials have been successfully prepared by sol-gel processing and simple dip coating on glass and silicon supports. Above thin films were characterised by x-ray diffraction (XRD), Raman spectroscopy, photoelectron spectroscopy, thermal analysis, atomic force microscopy (AFM) and spectroscopic ellipsometry. Phase identification of BaTiO3 and Ba0.8Sr0.2TiO3 was performed by XRD. XRD and Raman spectroscopy investigations demonstrate that thc Ba0.8Sr0.2TiO3 film exhibits tetragonal structure. AFM analysis demonstrates the elongated nanospherical particles on glass substrate and nanowires on silicon substrate, which represent a strong influence of the crystallinity of underlying substrate on the grain morphology in this technique. The thin films on both the substrates are uniformly coated without any pinhole to significant area (similar to 2.5 cm(2)), and this method might be extended to large area uniform coating. Spectroscopic ellipsometric measurements reveal the exact thickness, refractive index and extinction coefficient of the thin films.

}, keywords = {barium strontium titanate, barium titanate, dip coating, fabrication, ferroelectric material, large area coating, nanotechnology, thin film}, issn = {1475-7435}, author = {Saini, Mamta and Vivekanand, K. and Poddar, Pankaj and Murty, K. V. G. K. and Thushara, K. S. and Gopinath, Chinnakonda S.} } @article { ISI:000285413300005, title = {Fabrication of In-doped SnO2 nanowire arrays and its field emission investigations}, journal = {Journal of Experimental Nanoscience}, volume = {5}, number = {6}, year = {2010}, month = {DEC}, pages = {PII 931283663}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The field emission of In-doped SnO2 wire array has been performed in parallel plate diode configuration. A maximum current density of 60 mu A/cm2 is drawn from the emitter at an applied field of 4 V/mu m. The nonlinearity in the Fowler-Nordheim plot, characteristics of semiconductor emitter has been observed and explained on the basis of electron emission from both the conduction and the valence bands. The current stability recorded at a preset value of 1 mu A is observed to be good. The high emission current density, good current stability and mechanically robust nature of the wires offer unprecedented advantages as promising cold cathodes for many potential applications based on field emission.

}, keywords = {cold cathodes, device, Doping, field emission, Nanowires, SnO2}, issn = {1745-8080}, doi = {10.1080/17458081003671683}, author = {Bhise, Ashok B. and Late, Dattatray J. and Sathe, B. and More, Mahendra A. and Mulla, Imtiaz S. and Pillai, Vijayamohanan K. and Joag, Dilip S.} } @article { ISI:000286862600011, title = {Facile enantioselective synthesis of enantiomerically pure (R)-phenoxybenzamine hydrochloride using the hydrolytic kinetic resolution method}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {23}, year = {2010}, month = {DEC}, pages = {2825-2829}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A practical and highly efficient enantioselective synthesis of (R)-phenoxybenzamine hydrochloride has been described for the first time using Jacobsen{\textquoteright}s hydrolytic kinetic resolution of a terminal epoxide as a key step and source of chirality. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.11.011}, author = {Nikalje, Milind D. and Sasikumar, Murugesan and Muthukrishnan, Murugan} } @article { ISI:000285370100022, title = {Facile enantioselective synthesis of (S)-N-(5-chlorothiophene-2-sulfonyl)-beta,beta-diethylalaninol via proline-catalyzed asymmetric alpha-aminooxylation and alpha-amination of aldehyde}, journal = {Tetrahedron Letters}, volume = {51}, number = {50}, year = {2010}, month = {DEC}, pages = {6565-6567}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A high-yielding enantioselective synthesis of the bioactive (S)-N-(5-chlorothiophene-2-sulfonyl)beta,beta-diethylalaninol (1), a Notch-1-sparing gamma-secretase inhibitor metabolite (with EC50 = 28 nM) effective in reduction of All production in vivo, has been realized starting from readily available 3-pentanone. The key steps of the synthesis are proline-catalyzed alpha-aminooxylation and alpha-amination of aldehyde: the latter contributing an overall yield of 45.2\% and 98\% ee. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {alpha-Amination, alpha-Aminooxylation, Alzheimer{\textquoteright}s disease, Amino alcohol, Proline}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.10.029}, author = {Rawat, Varun and Chouthaiwale, Pandurang V. and Chavan, Vilas B. and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000277834300107, title = {Field dependence of the magnetocaloric effect in core-shell nanoparticles}, journal = {Journal of Applied Physics}, volume = {107}, number = {9}, year = {2010}, note = {11th Joint MMM-Intermag Conference, Washington, DC, JAN 18-22, 2010}, month = {MAY}, pages = {09A902}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

The field dependence of the magnetic entropy change peak at the low temperature surface spin freezing transition in chemically synthesized, monodispersed Co, Co-Ag, and Ni-Ag core-shell nanoparticles is studied, with the aim of gaining insight into the critical exponents of this transition. It is evidenced that although the magnitude of the peak entropy change and position of the peak can be tuned by changing the composition and nature (metallic or organic) of the shell and surfactant layers, the characteristics of the spin freezing transition are not altered. The field dependence of the refrigerant capacity also confirms this finding. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3335514]

}, issn = {0021-8979}, doi = {10.1063/1.3335514}, author = {Franco, V. and Conde, A. and Sidhaye, Deepti and Bhagavatula L. V. Prasad and Poddar, P. and Srinath, S. and Phan, M. H. and Srikanth, H.} } @article { ISI:000273204100059, title = {Flexible microwave absorber based on nickel ferrite nanocomposite}, journal = {Journal of Alloys and Compounds}, volume = {489}, number = {1}, year = {2010}, month = {JAN}, pages = {297-303}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Flexible magnetic composite materials were prepared by incorporating precharacterized nickel ferrite nanoparticles in a natural rubber matrix. The complex dielectric permittivity and magnetic permeability of the composites were measured at different microwave frequencies using the cavity perturbation technique. A steady increase in dielectric permittivity was observed with increase in filler concentration. Maxwell-Garnett mixture equations were employed to model the effective permittivity and permeability of the composite. Reflection loss was estimated by employing the model of single layer absorber backed with a perfect conductor. Reflection loss minima of -5.9 dB at 3.2 GHz for 12 mm thick rubber ferrite composite sheet is obtained in the S-band while a loss up to -16 dB could be achieved at 9.5 GHz in the X-band. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Cavity perturbation, Complex permeability, Complex permittivity, Microwave absorber, Nanocomposites, Nickel ferrite}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2009.09.077}, author = {Sunny, Vijutha and Kurian, Philip and Mohanan, P. and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000272936000061, title = {Fluconazole analogues containing 2H-1,4-benzothiazin-3(4H)-one or 2H-1,4-benzoxazin-3(4H)-one moieties, a novel class of anti-Candida agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {20}, number = {2}, year = {2010}, month = {JAN}, pages = {722-725}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

As a part of our program to develop new antifungal agents, a series of fluconazole analogues was designed and synthesized wherein one of the triazole moieties in fluconazole was replaced with 2H-1,4-benzothiazin-3(4H)-one or 2H-1,4-benzoxazin-3(4H)-one moiety. The new chemical entities thus synthesized were screened against various fungi and it was observed that the compounds 4a and 4i are potent inhibitors of Candida strains. The structure-activity relationship for these compounds is discussed. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {antifungal, Benzothiazinone, Benzoxazinone, Fluconazole}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2009.11.071}, author = {Borate, Hanumant B. and Maujan, Suleman R. and Sawargave, Sangmeshwer P. and Chandavarkar, Mohan A. and Vaiude, Sharangi R. and Joshi, Vinay A. and Wakharkar, Radhika D. and Iyer, Ramki and Kelkar, Ramesh G. and Chavan, Subhash P. and Kunte, Sunita S.} } @article { ISI:000280574600029, title = {Free radical graft copolymerization of N-vinyl-2-pyrrolidone onto k-carrageenan in aqueous media and applications}, journal = {Carbohydrate Polymers}, volume = {82}, number = {2}, year = {2010}, month = {SEP}, pages = {424-431}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

In the present article, the graft copolymer of k-carrageenan with N-vinyl-2-pyrrolidone (NVP) has been synthesized using PMS/maleic acid as a redox initiator in aqueous medium and reaction conditions have been optimized to obtain maximum \% grafting ratio (\%G). The optimum conditions of maximum grafting have been found by varying the different parameters. On increasing the concentration of maleic acid and peroxymonosulphate from 1.6 x 10(-3) to 4.8 x 10(-3) mol dm(-3) and 0.6 x 10(-2) to 2.2 x 10(-2) mol dm(-3) respectively, the initially grafting parameters increased and after a certain range of concentration grafting parameters showed decreasing trend. The small increment of concentration in hydrogen ion causes increment in percentage grafting. It was observed that the grafting parameters increase as the concentration of N-vinyl-2-pyrrolidone increases up to 16 x 10(-2) mol dm(-3) after that it decreased. The optimum condition for maximum grafting has obtained at concentration 1.0 g dm(-3) of k-carrageenan at 40 degrees C and 120 min, respectively. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {flocculation, Graft copolymer, k-Carrageenan, Metal ion uptake, N-vinyl-2-pyrrolidone, swelling}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2010.04.080}, author = {Mishra, Madan Mohan and Sand, Arpit and Mishra, Dinesh Kumar and Yadav, Mithilesh and Behari, Kunj} } @article { ISI:000274954400005, title = {Gas-phase oxidant-free oxidation of cyclohexanol over V2O5-MoO3-M2O (M = Na, K, Cs) catalysts}, journal = {Indian Journal of Chemical Technology}, volume = {17}, number = {1}, year = {2010}, month = {JAN}, pages = {43-49}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

Oxidant-free oxidation (dehydrogenation) of cyclohexanol is carried out in a down-flow integral laboratory scale reactor using different alkali doped catalysts. The effect of reaction temperature, contact time (W/F) and doping of alkali metals is studied to check its effect on nature of prominent products of the reaction (cyclohexanone and cyclohexene). At lower temperature the cyclohexanone prevails whereas at higher temperature cyclohexene is observed in prominence. Acid-modified catalysts (with boron and phosphorous) facilitated cyclohexene selectivity whereas alkali modified catalysts facilitated cyclohexanone selectivity. Calcination of sodium modified catalyst at different temperatures under static condition affect characteristic phase intensity and cyclohexanone selectivity. XRD investigation showed formation of different inorganic phases as the characteristic of dopant. Cesium modified catalyst showed better dehydrogenation activity.

}, keywords = {Cyclohexanol, dehydration, Dehydrogenation, Electronegativity, V2O5-MoO3}, issn = {0971-457X}, author = {Vyawahare, Y. K. and Chumbhale, Vilas R. and Pardhy, S. A. and Samuel, V. and Aswar, A. S.} } @article { ISI:000273051800037, title = {Halide ion controlled shape dependent gold nanoparticle synthesis with tryptophan as reducing agent: enhanced fluorescent properties and white light emission}, journal = {Chemical Physics Letters}, volume = {484}, number = {4-6}, year = {2010}, month = {JAN}, pages = {271-275}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We report the synthesis of Au nanoparticles in presence of two surfactants cetyltrimethyl ammonium chloride (CTAC) and cetyltrimethyl ammonium bromide (CTAB) by reducing Au(3+) ions with tryptophan. Interestingly, triangular shaped particles were seen to form in presence of CTAB, while spherical nanoparticles resulted with CTAC. The highlight of this result is the white light emission from the Au triangles obtained when CTAB is used. These results are supported by lifetime measurements and fluorescence. (C) 2009 Elsevier B. V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2009.11.052}, author = {Kasture, Manasi and Sastry, Murali and Bhagavatula L. V. Prasad} } @article { ISI:000279843200010, title = {Harnessing structure-activity relationship to engineer a cisplatin nanoparticle for enhanced antitumor efficacy}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {107}, number = {28}, year = {2010}, month = {JUL}, pages = {12435-12440}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

Cisplatin is a first line chemotherapy for most types of cancer. However, its use is dose-limited due to severe nephrotoxicity. Here we report the rational engineering of a novel nanoplatinate inspired by the mechanisms underlying cisplatin bioactivation. We engineered a novel polymer, glucosamine-functionalized polyisobutylene-maleic acid, where platinum (Pt) can be complexed to the monomeric units using a monocarboxylato and an O {\textendash}\> Pt coordinate bond. We show that at a unique platinum to polymer ratio, this complex self-assembles into a nanoparticle, which releases cisplatin in a pH-dependent manner. The nanoparticles are rapidly internalized into the endolysosomal compartment of cancer cells, and exhibit an IC50 (4.25 + 0.16 mu M) comparable to that of free cisplatin (3.87 +/- 0.37 mu M), and superior to carboplatin (14.75 +/- 0.38 mu M). The nanoparticles exhibited significantly improved antitumor efficacy in terms of tumor growth delay in breast and lung cancers and tumor regression in a K-ras(LSL/+)/Pten(fl/fl) ovarian cancer model. Furthermore, the nanoparticle treatment resulted in reduced systemic and nephrotoxicity, validated by decreased biodistribution of platinum to the kidney as quantified using inductively coupled plasma spectroscopy. Given the universal need for a better platinate, we anticipate this coupling of nanotechnology and structure-activity relationship to rationally reengineer cisplatin could have a major impact globally in the clinical treatment of cancer.

}, keywords = {cancer, chemotherapy, nanomedicine}, issn = {0027-8424}, doi = {10.1073/pnas.1007026107}, author = {Paraskar, Abhimanyu S. and Soni, Shivani and Chin, Kenneth T. and Chaudhuri, Padmaparna and Muto, Katherine W. and Berkowitz, Julia and Handlogten, Michael W. and Alves, Nathan J. and Bilgicer, Basar and Dinulescu, Daniela M. and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article { ISI:000279939100026, title = {H-beta zeolite: an efficient, reusable catalyst for one-pot synthesis of isatins from anilines}, journal = {Acta Chimica Slovenica}, volume = {57}, number = {2}, year = {2010}, month = {JUN}, pages = {466-469}, publisher = {SLOVENSKO KEMIJSKO DRUSTVO}, address = {HAJDRIHOVA 19, LJUBLJANA 1000, SLOVENIA}, abstract = {

We describe a simple and highly efficient procedure for the single-step preparation of isatins from the commercially available anilines using H-beta zeolite as a truly heterogeneous catalyst. H-beta zeolite is readily separated from reaction mixture by simple filtration and reused several times without considerable loss of activity.

}, keywords = {Anilines, H-beta zeolite, heterogeneous catalyst, isatins}, issn = {1318-0207}, author = {Raj, I. Victor Paul and Shaikh, Tanveer Mahamadali and Sudalai, Arumugam} } @article { ISI:000284266200038, title = {Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction}, journal = {Crystengcomm}, volume = {12}, number = {12}, year = {2010}, month = {Aug}, pages = {4184-4197}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The crystal structure of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthoformate (1) which underwent a facile intermolecular benzoyl transfer reaction in the solid state, revealed a helical assembly of molecules along the two-fold screw axis via O-H center dot center dot center dot O hydrogen bond bringing the electrophile (C=O) and the nucleophile (-OH) in close proximity along the helical axis. However, structurally related racemic 2,6-di-O-(p-halobenzoyl)-myo-inositol 1,3,5-orthoformates (bromo (2) and chloro (3)) produced triclinic dimorphs (both P (1) over bar) when crystallized from methanol and ethyl acetate. Molecules in either form did not assemble spirally (like 1), and instead exhibited a one-dimensional isostructurality, bridging O-H center dot center dot center dot O linked identical molecular strings via C-H center dot center dot center dot O interactions across the inversion center. However, the molecules of 2 and 3 assembled in a helical manner similar to 1 with inclusion of solvent molecules in the crystal lattice when crystallized from other common organic solvents. Remarkably, in all the solvates the host molecules formed strikingly similar helices around the crystallographic 2(1)-screw axis through O-H center dot center dot center dot O bond involving the -OH group and carbonyl oxygen of the equatorial C2-O-benzoyl group. Comparison of the crystal structure of dimorphs and the solvatomorphs revealed that the solvent molecules, which interact with the orthoformate-bridge, trigger the helix formation of the host. The difference in the crystal structures of solvatomorphs arises in the interlinking of the neighbouring helices, which creates voids of different sizes to accommodate the solvent molecules. All the solvates crystallized in the monoclinic system distributed over three different space groups P2(1)/n, P2(1)/c and C2/c. In the P2(1)/n system, the adjacent helices are linked via C-X center dot center dot center dot O contacts, in P2(1)/c via C-H center dot center dot center dot X (X Cl, Br) contacts and in C2/c via short X center dot center dot center dot X contacts (X = Cl). The helical organization achieved through solvent mediation and inclusion is of significance in creating molecular packing for intermolecular acyl transfer reactions in crystals.

}, issn = {1466-8033}, doi = {10.1039/b924482d}, author = {Krishnaswamy, Shobhana and Gonnade, Rajesh G. and Shashidhar, Mysore S. and Bhadbhade, Mohan M.} } @article { ISI:000280145000055, title = {High aspect ratio nanoscale multifunctional materials derived from hollow carbon nanofiber by polymer insertion and metal decoration}, journal = {Chemical Communications}, volume = {46}, number = {30}, year = {2010}, month = {JUN}, pages = {5590-5592}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel high aspect ratio material which can simultaneously display multiple functions such as proton and electron conductivity and electrocatalytic activity has been developed by incorporating both platinum nanoparticles and phosphoric acid doped polybenzimidazole along the inner and outer surfaces of a hollow carbon nanofiber.

}, issn = {1359-7345}, doi = {10.1039/c0cc00571a}, author = {Balan, Beena K. and Kale, Vinayak S. and Aher, Pradnya P. and Shelke, Manjusha V. and Pillai, Vijayamohanan K. and Kurungot, Sreekumar} } @article { ISI:000281153600066, title = {High current density, low threshold field emission from functionalized carbon nanotube bucky paper}, journal = {Applied Physics Letters}, volume = {97}, number = {7}, year = {2010}, month = {AUG}, pages = {073102}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Field emission studies of bucky paper of multiwalled carbon nanotubes (MWNTs), prepared after microwave (MW) assisted acid functionalization are reported along with a comparison with that of {\textquoteleft}{\textquoteleft}as-grown{\textquoteright}{\textquoteright} sample. MW treated bucky papers reveal an interesting linear field emission behavior in Fowler-Nordheim plot. The field emission currents at preset value are found to be remarkably stable over a period of more than 3 h sustaining current densities of 4.9 mA/cm(2) and 8.5 mA/cm(2) for {\textquoteleft}{\textquoteleft}as-grown{\textquoteright}{\textquoteright} and functionalized sample, respectively. The enhancement in the field emission due to functionalization has been discussed in terms of tip opening and defect induced charge transport caused by intershell and intertubular interaction. (C) 2010 American Institute of Physics. [doi:10.1063/1.3479049]

}, keywords = {Carbon nanotubes, current density, field emission, fullerenes}, issn = {0003-6951}, doi = {10.1063/1.3479049}, author = {Kakade, Bhalchandra A. and Pillai, Vijayamohanan K. and Late, Dattatray J. and Chavan, Padmakar G. and Sheini, Farid J. and More, Mahendra A. and Joag, Dilip S.} } @article { ISI:000276052700007, title = {Highly sensitive and fast responding CO sensor based on Co3O4 nanorods}, journal = {Talanta}, volume = {81}, number = {1-2}, year = {2010}, month = {APR}, pages = {37-43}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Co3O4 nanorods (diameters similar to 6-8 nm and lengths similar to 20-30 nm) were synthesized for the first time through a simple co-precipitation/digestion method by calcination of cobalt hydroxyl carbonate in air and their CO gas sensing properties were investigated. The Co3O4 nanorods exhibited outstanding gas sensing characteristics such as, higher gas response (similar to 6.55-50 ppm CO gas at 250 degrees C), extremely rapid response (similar to 3-4s), fast recovery (similar to 5-6s), excellent repeatability, good selectivity and lower operating temperature (similar to 250 degrees C). Furthermore, the Co3O4 nanorods are able to detect up to 5 ppm for CO with reasonable sensitivity (similar to 3.32) at an operating temperature 250 degrees C and they can be reliably used to monitor the concentration of CO over the range (5-50 ppm). The experimental results clearly demonstrate the potential of using the Co3O4 nanorods as sensing material in the fabrication of CO sensors. Plausible CO sensing mechanism of the Co3O4 nanorods is also discussed. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {CO sensor, Co3O4 nanorods, HRTEM, Semiconductor gas sensors, XPS, XRD}, issn = {0039-9140}, doi = {10.1016/j.talanta.2009.11.034}, author = {Patil, Dewyani and Patil, Pradip and Subramanian, Vijayanand and Joy, Pattayil Alias and Potdar, Hari S.} } @article { ISI:000283463600060, title = {Hydroformylation of 1-octene using [Bmim][PF6]-decane biphasic media and rhodium complex catalyst: thermodynamic properties and kinetic study}, journal = {Industrial \& Engineering Chemistry Research}, volume = {49}, number = {21}, year = {2010}, note = {21st International Symposium on Chemical Reaction Engineering (ISCRE 21), Philadelphia, PA, JUN 13-16, 2010}, month = {NOV}, pages = {10698-10706}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A chemical reaction engineering approach is reported to investigate the biphasic hydroformylation of I-octene using [bmim][PF6] ionic liquid. It is based both on a process parameter investigation (temperature, concentrations, and pressures) and a thermodynamic study of the reaction medium (gas liquid and liquid liquid equilibria). Initial rate data show complex behavior with respect to operating parameters and are best described by a rate equation based on a mechanistic model. Complete reaction scheme including isomerization is then modeled accounting from the time dependent concentration of the organic substrates measured in organic phase and recalculated in ionic liquid phase from liquid liquid equilibria.

}, issn = {0888-5885}, doi = {10.1021/ie100222k}, author = {Sharma, Amit and Lebigue, Carine Julcour and Deshpande, Raj Madhukar and Kelkar, Ashutosh A. and Delmas, Henri} } @article { ISI:000277423200006, title = {Hydrophobically modified poly(vinyl alcohol) using alkoxy-substituted methyl gallate: synthesis and rheology}, journal = {Journal of Polymer Science Part B-Polymer Physics}, volume = {48}, number = {10}, year = {2010}, month = {MAY}, pages = {1054-1063}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Hydrophobically modified poly(vinyl alcohol) (HMPVA) polymers were synthesized by potassium t-butoxide-catalyzed reaction of PVA with methyl 3,4,5-tris(n-octyloxy) benzoate (MGC(8))/3,4,5-tris(n-dodecyloxy) benzoate (MGC(12)) and 1,3-propane sultone. The concentration of 1,3-propane sultone was kept constant at 10 mol \%. and that of MGC(8) (2, 3, and 4 mol \%)/MGC(12) (2 and 3 mol \%) was varied to obtain HMPVAs with different hydrophobic contents. The incorporation of MGC(8)/MGC(12) and 1,3-propane sultone onto HMPVA was confirmed by NMR spectroscopy. Rheological properties of aqueous solutions also confirmed the presence of hydrophobic and charged functional groups on HMPVAs. In the semidilute regime, the specific viscosity of HMPVAs followed concentration scaling that is typical of polyelectrolytes. At higher concentrations, the HMPVA solutions with 3 and 4 mol \% of MGC(8) exhibited large increase in specific viscosity. Oscillatory experiments on these solutions exhibited gel-like behavior at polymer concentrations of 40-50 g/L. Confocal microscopy images of HMPVA with 4 mol \% of MGC(8) clearly indicated the existence of microgels. The tendency of formation of microgels further increased with increasing chain length of the hydrophobe, that is, with MGC(12). These samples exhibited rheological behavior that is typical of soft solids and was therefore probed by the strain-rate frequency superposition technique reported recently in the literature. HMPVAs with improved rheological properties show potential applications as thickeners in cosmetic creams, lotions and as drug carriers in pharmaceutical formulations. (C) 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 48: 1054-1063, 2010

}, keywords = {gallic acid, hydrophobically modified poly(vinyl alcohol), Rheology, water-soluble polymers}, issn = {0887-6266}, doi = {10.1002/polb.21995}, author = {Shedge, Aarti S. and Wadgaonkar, Prakash P. and Lele, Ashish K. and Badiger, Manohar V.} } @article { ISI:000283104700004, title = {Hysteresis in cloud heights during solid suspension in stirred tank reactor: experiments and CFD simulations}, journal = {Aiche Journal}, volume = {56}, number = {11}, year = {2010}, month = {NOV}, pages = {2795-2804}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Solid suspension in stirred tank reactor is widely used in process industries for catalytic reactions, dissolution of solids, crystallization, and so on. Suspension quality is a key issue in design and operation of stirred reactor and its determination is not straight forward. Cloud height measurements of solid suspension provide a relatively simple way to quantify quality of suspension. In this work, experiments were carried out to quantify variation of cloud heights with impeller speed and particle characteristics. These measurements were carried out using visual observations, image analysis, and ultrasound velocity profiler techniques. The obtained data demonstrated the existence of hysteresis in cloud heights with respect to impeller speed. Apart from possible applications in reducing power required for achieving desired solid suspension quality, the existence of hysteresis also provides a new way to evaluate computational fluid dynamics (CFD) simulations of solid liquid flows in stirred vessels. An attempt was made to capture observed hysteresis in cloud heights in CFD simulations. The simulated results were compared with the experimental data. The presented models and results (experimental and computational) will he useful for simulating complex solid liquid flows in stirred reactors. (C) 2010 American Institute of Chemical Engineers AIChE J, 56: 2795-2804, 2010

}, keywords = {CFD, hysteresis in cloud height, solid velocity profiles}, issn = {0001-1541}, doi = {10.1002/aic.12191}, author = {Sardeshpande, Madhavi V. and Juvekar, Vinay A. and Ranade, Vivek V.} } @article { ISI:000280570900070, title = {Identification of two flavin monooxygenases from an effluent treatment plant sludge metagenomic library}, journal = {Bioresource Technology}, volume = {101}, number = {21}, year = {2010}, month = {NOV}, pages = {8481-8484}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Oxygenases are useful for the production of many industrially important molecules. Screening of an effluent treatment plant (ETP) sludge metagenomic library identified two clones encoding proteins, B1 and B2, with similarity to putative Flavin monooxygenases from Mesorhizobium loti and Sphingomonas wittichi, respectively. The deduced amino acid sequences show only 20\% identity, but both have a paired Rossman fold and a flavin monooxygenase (FMO) motif. B1 and B2 appear to be members of the Flavin-containing monooxygenase and the Baeyer-Villiger monooxygenases subfamilies, respectively. When expressed in Escherichia coli, the two clones produced activities that oxidized indole to a mixture of indigo and indirubin pigments. These results suggest that B1 and B2 have potential as a biocatalyst in indigo/indirubin production. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Indigo, Indirubin, Metagenome, Metagenomic, Monooxygenase}, issn = {0960-8524}, doi = {10.1016/j.biortech.2010.06.025}, author = {Singh, Ajit and Chauhan, Nar Singh and Thulasiram, H. V. and Taneja, Vibha and Sharma, Rakesh} } @article { ISI:000281448900066, title = {Influence of structure of organic modifiers and polyurethane on the clay dispersion in nanocomposites via in situ polymerization}, journal = {Journal of Applied Polymer Science}, volume = {118}, number = {3}, year = {2010}, month = {NOV}, pages = {1774-1786}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Influence of polyurethane (PU) structure on the nature of PU/clay nanocomposite was studied using varying amounts of trimethylol propane (TMP) as branching agent. The effect of hydroxyl groups in the modifier of organoclays on the structure of PU/clay nanocomposites was studied. Nanocomposites were characterized using wide-angle X-ray diffraction measurements (WAXD) and transmission electron microscopy (TEM). The results show that formation of completely exfoliated and well dispersed polyurethane/clay nanocomposites via in situ polymerization, is facilitated by the presence of tethering groups on the clay surface and an ability to form branched and crosslinked structures. Incorporation of long alkyl chains in addition to tethering hydroxyl groups in the modifier structure of the clay did not significantly improve the compatibility of linear PU with the clay. Intercalated thermoplastic polyurethane/clay nanocomposites, prepared using poly(caprolactone diol) as soft segment and isophorone diisocyanate and 1,4-butanediol as hard segments show increase in storage tensile moduli at temperatures before glass transition temperature when functional groups capable of chemically reacting with the growing polymer chains are present in the clay modifier. This is indicative of improved interaction of the polymer with the clay surface when the modifier has larger number of hydroxyl groups. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 118: 1774-1786, 2010

}, keywords = {intercalation and exfoliation, Nanocomposites, organoclay, polyurethane}, issn = {0021-8995}, doi = {10.1002/app.32500}, author = {Rama, Mallikarjuna Shroff and Swaminathan, Sivaram} } @article { ISI:000276563100089, title = {Influence of surface hydrophobicity on the esterification of fatty acids over solid catalysts}, journal = {Energy \& Fuels}, volume = {24}, year = {2010}, month = {MAR}, pages = {2154-2161}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The relative roles of surface acidity and hydrophobicity in the methylation of fatty acids (C(8) - C(18)) to the corresponding methyl esters were investigated over three solid acid catalysts: Fe-Zn double-metal cyanide (DMC), sulfated zirconia (SZ), and Al-MCM-41. The esterification reaction was faster and the apparent activation energy was lower over SZ and Al-MCM-41 than on DMC because of their higher acid strength, specific surface area, and pore diameter. Over SZ and Al-MCM-41, the apparent activation energy for esterification increased with the chain length of the fatty acid. A reverse trend, however, was observed over DMC. The relative adsorption of methanol and fatty acids (compared to water) was higher on DMC than on SZ and Al-MCM-41. Hence, in addition to the acidic and textural properties, surface hydrophobicity and relative surface coverage by reactants/products also play an important role in reactions of long-chain fatty acids with alcohols on solid catalysts.

}, issn = {0887-0624}, doi = {10.1021/ef1001452}, author = {Satyarthi, Jitendra K. and Srinivas, Darbha and Ratnasamy, Paul} } @article { ISI:000277404300005, title = {Interaction between ataxin-2 binding protein 1 and cubitus-interruptus during wing development in drosophila}, journal = {Developmental Biology}, volume = {341}, number = {2}, year = {2010}, month = {MAY}, pages = {389-399}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Animal growth and development is dependent on reiterative use of key signaling pathways such as Hedgehog (Hh) pathway. It is widely believed that Cubitus-interruptus (Ci) mediates all functions of Hh pathway. Here we report that CG32062, the Drosophila homologue of Ataxin-2 Binding Protein 1 (dA2BP1), functions as a cofactor of Ci to specify intervein region between L3 and L4 veins of the adult wing. Specifically, Ci-mediated transactivation of knot/collier (kn) in this region of the developing wing imaginal disc is dependent on dA2BP1 function. Protein interaction studies and chromatin-immunoprecipiation experiments suggest that Ci helps dA2BP1 to bind kn promoter, which in turn may help Ci to activate kn expression. These results suggest a mechanism by which Ci may activate targets such as kn, which do not have classical Ci/Gli-binding sites. (C) 2010 Elsevier Inc. All rights reserved.

}, keywords = {CG32062, Collier, Hedgehog, Knot, SCA2}, issn = {0012-1606}, doi = {10.1016/j.ydbio.2010.02.039}, author = {Usha, N. and Shashidhara, L. S.} } @article { ISI:000274449000021, title = {Intramolecular hydrogen abstraction in radicals derived from inositol 1,3-acetals: efficient access to cyclitols}, journal = {European Journal of Organic Chemistry}, number = {4}, year = {2010}, month = {FEB}, pages = {755-764}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

The benzylidene acetals obtained by cleavage of the orthobenzoate moiety in myo-mositol 1,3,5-orthobenzoate were used to prepare mono- as well as di-deoxy inositol derivatives via their xanthates. The dideoxygenation is a result of intramolecular abstraction of the benzylidene acetal hydrogen and subsequent cleavage of the acetal ring. Such a cleavage does not take place in analogous acetals derived from other orthoesters. The 1,3-acetals derived from myoinositol 1,3,5-orthoesters were also used to prepare neo-inositol and isomeric deoxy-amino inositols, Most of the reactions in these synthetic sequences starting from myo-inositol give one product in each step. The results presented here show that myo-inositol 1,3,5-orthobenzoate offers many advantages over other orthoesters for the synthesis of cyclitol derivatives from myo-inositol.

}, keywords = {cyclitols, Deoxygenation, Inosamine, Inositol, Radical reactions, Radicals, Xanthate}, issn = {1434-193X}, doi = {10.1002/ejoc.200901156}, author = {Murali, Chebrolu and Gurale, Bharat P. and Shashidhar, Mysore S.} } @article {42812, title = {Investigation of magnetic anisotropy in Co nanoparticles using ferromagnetic resonance technique}, journal = {Journal of Physics: Conference Series}, volume = {200}, year = {2010}, month = {JAN}, abstract = {

Using ferromagnetic resonance (FMR) technique, we have investigated the temperature dependence and angular dependence of line width and resonance magnetic field of Co nanoparticles capped with novel alkane carboxylic acids of varying chain lengths. The magnetic properties such as blocking temperature and anisotropy sensitively depend on the chain length as evidenced by the temperature dependence of line width. These results indicate that the magnetic properties of these samples are critically governed by the interparticle interactions which are decided by the chain length. The presence of anisotropy even up to very high temperature above the blocking temperature observed in these studies confirms the presence of inter-particle magnetic interactions as well as intra-particle exchange interaction between the core and shell regions as evidenced by our earlier ac susceptibility and transverse susceptibility measurements on similar system.

}, doi = {10.1088/1742-6596/200/7/072088}, author = {Sendilkumar, A. and Kasture, Manasi and Patel, Pitamber and Ramana, Chepuri V. and Bhagavatula L. V. Prasad and Srinath, S.} } @article { ISI:000280541800020, title = {Isochroman- and 1,3-dihydroisobenzofuran-annulation on carbohydrate templates via [2+2+2]-cyclotrimerization and synthesis of some tricyclic nucleosides}, journal = {Tetrahedron}, volume = {66}, number = {32}, year = {2010}, month = {AUG}, pages = {6085-6096}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of enantiopure tricyclic systems comprising isochroman or dihydroisobenzofuran units integrated with sugar templates has been documented. The alkyne cylotrimerization reaction has been employed with easily accessible sugar diynes for the key bicyclic ring construction and thus a provision to alter the functional groups on the newly formed aromatic rings. By selecting two representative trimerization products, we have synthesized the tricyclic nucleosides by simple synthetic manipulations. (c) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Dihydroisobenzofuran, Dihydroisobenzopyran, Modified nucleosides, Vorbruggen reaction, [2+2+2] cyclotrimerization}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.06.011}, author = {Suryawanshi, Sharad B. and Dushing, Mangesh P. and Gonnade, Rajesh G. and Ramana, C. V.} } @article { ISI:000279787200004, title = {Isolation, structure, and functional elucidation of a modified pentapeptide, cysteine protease inhibitor (CPI-2081) from streptomyces species 2081 that exhibit inhibitory effect on cancer cell migration}, journal = {Journal of Medicinal Chemistry}, volume = {53}, number = {14}, year = {2010}, month = {JUL}, pages = {5121-5128}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Cysteine proteases play an important role in cell migration and tumor metastasis. Therefore, their inhibitors are of colossal interest, having potential to be developed as effective antimetastatic drugs for tumor chemotherapy. Traditionally, secondary metabolites from streptomyces show a wide range of diversity with respect to their biological activity and chemical nature. In this article, we have described the characterization of small molecule cysteine protease inhibitor, CPI-2081 (compound 1), a mixture of two novel pentapeptides, compound 1a (736.71 Da), and compound 1b (842.78 Da), isolated from Streptomyces species NCIM2081, following solvent extraction and repeated HPLC based on C18 chemistry, and completely characterized using a variety of both ID and 2D NMR spectroscopy. Further, it was found that nanomolar concentration of compound 1 is able to inhibit papain hydrolytic activity. Also, compound 1 significantly inhibits tumor cell migration at sub cytotoxic concentration, indicating its remarkable potential to be developed as antimetastatic drug, which will make chemotherapy more localized and specific, thereby minimizing the hazardous side effects on normal tissues.

}, issn = {0022-2623}, doi = {10.1021/jm9014179}, author = {Singh, Jay Prakash and Tamang, Sudarsan and Rajamohanan, P. R. and Jima, N. C. and Chakraborty, Goutam and Kundu, Gopal C. and Gaikwad, Sushama M. and Khan, Mohammad Islam} } @article { ISI:000288434800016, title = {Kinetics studies and mechanism evolution of the epoxidation of styrene over nanoporous Au doped TS-1}, journal = {Polish Journal of Chemical Technology}, volume = {12}, number = {4}, year = {2010}, month = {JAN}, pages = {72-78}, publisher = {VERSITA}, address = {SOLIPSKA 14A-1, 02-482 WARSAW, POLAND}, abstract = {

{A kinetic investigation of the slurry phase epoxidation of styrene with hydrogen peroxide has been carried out, for the first time, over nanoporous Au doped TS-1 catalyst, in a batch reactor, in the temperature range of 313-333 K. It was found that product selectivity and the rate of reaction are greatly influenced by concentrations of styrene and hydrogen peroxide. Kinetics studies reveal that the mechanism of the reaction is of the {\textquoteleft}{\textquoteleft}Redox{\textquoteright}{\textquoteright} type. The rate equation

}, keywords = {Au/TS-1, epoxidation, kinetics, styrene, Styrene oxide}, issn = {1509-8117}, doi = {10.2478/v10026-010-0054-6}, author = {Saxena, Samidha and Dwivedi, Reena and Bhadauria, Sheenu and Chumbhale, Vilas R. and Prasad, Rajendra} } @article { ISI:000278305600001, title = {Magnetic, dielectric and complex impedance spectroscopic studies of nanocrystalline Cr substituted Li-ferrite}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {322}, number = {18}, year = {2010}, month = {SEP}, pages = {2629-2633}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nanocrystalline Li0.5Fe2.5-xCrxO4 (2.5 \<= x \>= 0) ferrites were prepared by a sol-gel autocombustion route. X-ray diffraction was employed to confirm the cubic spinel phase formation of the ferrites. The lattice parameter decreases with increase in Cr content. The saturation magnetization, coercivity and remanance were studied as a function of Cr content. The dielectric constant and dielectric loss were measured as a function of frequency in the frequency range 20 Hz-1 MHz. Frequency dependence of dielectric constant shows dielectric dispersion due to the Maxwell-Wagner type of interfacial polarization. In order to understand the conduction mechanism, complex impedance measurements were carried out. The substitution of chromium plays an important role in changing the dielectric and magnetic properties of lithium ferrites. (C) 2010 Published by Elsevier B.V.

}, keywords = {Complex impedance, dielectric response, Ferrites, Magnetic hysteresis, Sol-gel synthesis, X-ray diffraction}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2010.03.005}, author = {Hankare, P. P. and Patil, R. P. and Sankpal, U. B. and Garadkar, K. M. and Sasikala, R. and Tripathi, A. K. and Mulla, Imtiaz S.} } @article { ISI:000274929000012, title = {Melting characteristics of superlattices of alkanethiol-capped gold nanoparticles: the {\textquoteleft}{\textquoteleft}excluded{\textquoteright}{\textquoteright} story of excess thiol}, journal = {Chemistry of Materials}, volume = {22}, number = {5}, year = {2010}, month = {MAR}, pages = {1680-1685}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Melting characteristics of gold nanoparticle superlattices obtained from nanoparticles capped by alkanethiols of different chain lengths (octane, dodecane and hexadecane) have been investigated. The alkanethrol capped nanoparticles were synthesized by the well-established digestive ripening method It is observed that as the chain length Of the thiol increases, the propensity to form superlattices decreases and the melting of the superlattice is observed at lower temperature However, the Formation of the 3D superlattice is critically dependent on the presence of {\textquoteleft}{\textquoteleft}excess{\textquoteright}{\textquoteright} thiol as determined from thermogravimetric and transmission electron microscope analysis. In the absence of {\textquoteleft}{\textquoteleft}excess{\textquoteright}{\textquoteright} thiol, only 2D hexagonally close-packed arrangements were seen

}, issn = {0897-4756}, doi = {10.1021/cm9031607}, author = {Sidhaye, Deepti S. and Bhagavatula L. V. Prasad} } @article { ISI:000284664500025, title = {NaIO4/LiBr-mediated aziridination of olefins using chloramine-T}, journal = {Tetrahedron Letters}, volume = {51}, number = {49}, year = {2010}, month = {DEC}, pages = {6460-6462}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new milder protocol for aziridination of a variety of olefins has been described. The process employs catalytic amount of sodium metaperiodate (NaIO4) as an oxidant and LiBr and chloramine-T as the bromine and nitrogen sources, respectively. Interestingly, the formation of aziridine products in all the cases studied takes place presumably through a process of 1,2-aminobromination of alkenes. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Aziridination, Chloramine-T, Lithium bromide, Olefin, Sodium metaperiodate}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.10.005}, author = {Karabal, Pratibha U. and Chouthaiwale, Pandurang V. and Shaikh, Tanveer M. and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000274058400003, title = {Nature of the acid sites in the metal triflates immobilized in SBA-15 and their role in the friedel-crafts acylation of naphthalene}, journal = {Applied Catalysis A-General}, volume = {372}, number = {2}, year = {2010}, month = {JAN}, pages = {130-137}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The Zn-triflate molecules loaded (5-30 mol\%) in mesoporous SBA-15 silicate exhibited considerably higher catalytic activity for liquid-phase Friedel-Crafts (FC) acylation of naphthalene with p-toluoyl chloride, as compared to the corresponding triflates of La, Ce and Y. In situ FTIR studies revealed that the triflate molecules occluded in the channels of SBA-15 may cause severe perturbation of surface hydroxyl groups, without undergoing an electronic binding. The metal cations of the triflate molecules, on the other hand, participated in direct bonding of the reactant molecules and also helped in the formation of some Bronsted type surface acid sites. This article discusses the role of the acid sites generated on occlusion of metal triflates in SBA-15, as monitored by using NH(3)-TPD and pyridine-IR spectroscopy, in the Friedel-Crafts acylation of naphthalene. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Acylation, Mesoporous silica, Metal triflate, Naphthalene}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.10.021}, author = {Selvakumar, S. and Gupta, Narendra M. and Singh, A. P.} } @article { ISI:000285326300001, title = {New ATRP initiator for synthesis of cyclic carbonate-terminated poly(methyl methacrylate)}, journal = {Reactive \& Functional Polymers}, volume = {70}, number = {12}, year = {2010}, month = {DEC}, pages = {931-937}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A new ATRP initiator, viz, 2-oxo-1,3-dioxolan-4-yl-(methyl-2-bromo-2-methylpropanoate) (ODMBMP) was synthesized by the reaction of commercially available glycerol carbonate with 2-bromoisobutyrylbromide and was used to carry out ATRP reactions of methyl methacrylate (MMA) in the presence of copper chloride/N,N{\textquoteright},N{\textquoteright},N{\textquoteright}{\textquoteright}N{\textquoteright}{\textquoteright}-pentamethyldiethylenetriamine to afford low molecular weight (M(n)(GPC) = 1750-7550) cyclic carbonate-terminated poly(methyl methacrylate)s with relatively narrow molecular weight distribution (M(w)/M(n) = 1.16-1.30). Poly(methyl methacrylate)s having higher molecular weight (M(n)(GPC) = 18,250 and 44,130) could also be synthesized using ODMBMP as the ATRP initiator. The kinetic studies of bulk ATRP of MMA showed a linear relationships between both In[M](o)/[M(t)] vs time and molecular weight vs conversion indicating controlled/living polymerization. The presence of cyclic carbonate functionality in poly(methyl methacrylate)s was confirmed by FUR. (1)H NMR, and (13)C NMR spectroscopy. The reactivity of cyclic carbonate group was demonstrated by a model reaction using n-propyl amine and the results showed quantitative conversion to hydroxyl urethane group. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Atom transfer radical polymerization (ATRP), cyclic carbonate, functional polymers, poly(methyl methacrylate)}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2010.08.005}, author = {Palaskar, Dnyaneshwar V. and Sane, Prakash S. and Wadgaonkar, Prakash P.} } @article { ISI:000280708400032, title = {New organic-inorganic hybrid microporous organosilica having high metal ion adsorption capacity}, journal = {Physical Chemistry Chemical Physics}, volume = {12}, number = {32}, year = {2010}, month = {JUL}, pages = {9389-9394}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new microporous organic-inorganic hybrid organosilica LHMM-2 containing a bis(propyliminomethyl)benzene moiety inside the framework has been synthesized hydrothermally without using any template or structure-directing agent. Powder XRD and TEM image analyses suggest a new disordered microporous structure with pores of dimension ca. 0.54 nm, and C-13 and Si-29 MAS NMR and spectroscopic results indicate the presence of bridging organic bis(propyliminomethyl) benzene moiety in this framework. TPD-NH3 results suggested that nearly 5 times as much bis(propyliminomethyl) benzene moiety is located inside the micropore walls (matrix) than in the surface of the pores. LHMM-2 shows very high adsorption capacity for metal cations like Fe3+, Cu2+ and Zn2+.

}, issn = {1463-9076}, doi = {10.1039/b925619a}, author = {Paul, Manidipa and Pal, Nabanita and Rajamohanan, P. R. and Rana, Bharat S. and Sinha, Anil K. and Bhaumik, Asim} } @article {43241, title = {Non-covalent interactions in extended systems described by the effective fragment potential method: theory and application to nucleobase oligomers}, journal = {Journal of Physical Chemistry A}, volume = {114}, year = {2010}, month = {NOV}, abstract = {The implementation of the effective fragment potential (EFP) method within the Q-CHEM electronic structure package is presented. The EFP method is used to study noncovalent π-π and hydrogen-bonding interactions in DNA strands. Since EFP is a computationally inexpensive alternative to high-level ab initio calculations, it is possible to go beyond the dimers of nucleic acid bases and to investigate the asymptotic behavior of different components of the total interaction energy. The calculations demonstrated that the dispersion energy is a leading component in π-stacked oligomers of all sizes. Exchange-repulsion energy also plays an important role. The contribution of polarization is small in these systems, whereas the magnitude of electrostatics varies. Pairwise fragment interactions (i.e., the sum of dimer binding energies) were found to be a good approximation for the oligomer energy.}, author = {Ghosh, Debashree and Kosenkov, Dmytro and Vanovschi, Vitalii and Williams, Christopher F. and Herbert, John M. and Gordon, Mark S. and Schmidt, Michael W. and Slipchenko, Lyudmila V. and Krylov, Anna I.} } @article { ISI:000277449500003, title = {Novel addition-fragmentation agent in cationic photopolymerization}, journal = {Polymer Bulletin}, volume = {65}, number = {1}, year = {2010}, month = {JUN}, pages = {25-34}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The aim of present study is to examine the photo-initiation efficiency of N,N-dimethylacrylamide-based allylic ammonium salt as one component addition-fragmentation agent (cationic photoinitiator cum radical source) in free radical accelerated cationic polymerization. Novel addition-fragmentation agent (AFA), 2-(N,N-dimethylcarboxy-3-propenyl)(phenylcarbonyl-4-phenylene) dimethyl ammonium hexafluoroantimonate (DMPDA) was synthesized as cationic photoinitiator and its initiation efficiency was examined in polymerization of cyclohexene oxide (CHO), isobutyl vinyl ether (IBVE), and n-butyl vinyl ether (n-BVE) in CH(2)Cl(2) solvent at wavelength lambda \> 290 nm. The rate of polymerization increases with the increase in initiator concentration and reaction time. The results demonstrate that DMPDA acts as an efficient photoinitiator (AFA) without use of radical source in free radical accelerated cationic polymerization.

}, keywords = {Addition-fragmentation agent, Ammonium salt, Benzophenone, Cationic polymerization, Onium salt, Photopolymerization}, issn = {0170-0839}, doi = {10.1007/s00289-009-0182-4}, author = {Gupta, Mukesh Kumar and Mehare, Rupali S. and Singh, Raj Pal} } @article { ISI:000276963200003, title = {Novel synthesis and characterization of titanium superoxide and its application in organic oxidative processes}, journal = {Catalysis Surveys from Asia}, volume = {14}, number = {1}, year = {2010}, month = {MAR}, pages = {21-32}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A novel, exceptionally stable titanium superoxide radical ion was prepared and its structure determined by FTIR, ESR, Raman spectroscopy, X-ray diffraction, thermogravimetric/differential thermal analysis and elemental analysis. This heterogeneous catalyst has been found to be effective for the selective oxidation of aromatic amines and phenols to the corresponding nitro aromatics and p-quinones, respectively. In addition, this non-toxic, inexpensive and reusable catalyst has also been used in aminobromination of olefins, which proceed to give the 1, 2-bromoaminated anti-Markovnikov product. A brief account of these results is summarized in this review.

}, keywords = {Amino Bromination, Anti-Markovnikov, heterogeneous catalyst, Oxidation, Titanium superoxide}, issn = {1571-1013}, doi = {10.1007/s10563-010-9085-5}, author = {Reddy, R. Santhosh and Shaikh, Tanveer Mahamadali and Rawat, Varun and Karabal, Pratibha U. and Dewkar, Gajanan and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000285236700003, title = {N-Type field effect transistors based on rigid rod and liquid crystalline alternating copoly(benzobisoxazole) imides containing perylene and/or naphthalene}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {50}, year = {2010}, month = {DEC}, pages = {16694-16704}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The synthesis, characterization, and device studies of poly(benzobisoxazole imide)s containing perylene or naphthalene units in an alternating fashion with the oxazole unit are described. Photoinduced energy transfer and charge separation were studied in methanesulfonic acid (MSA) solution via absorption, excitation, and steady-state fluorescence studies. Excitation of the bisoxazole moiety resulted in enhanced emission from the perylene bisimide unit as a result of FRET (Forster resonance energy transfer). The influence of the imide substitution into the linear chain of poly(benzobisoxazole) (PBO) on its solid-state packing was examined by wide-angle X-ray diffraction (WXRD) analysis. Bottom contact field effect transistors (FET) based on thermally annealed polymer films were fabricated and studied. The polymers showed n-type charge transport and current modulation with an on/off ratio greater than 10(2). It was observed that the FETs consisting of the random copolymer of bisoxazole containing both perylene as well as naphthalene bisimide units had higher performance parameters such as better mobility (mu e) and I(on)/I(off) ratio compared to those of the pristine systems.

}, issn = {1520-6106}, doi = {10.1021/jp107232u}, author = {Kolhe, Nagesh B. and Asha, S. K. and Senanayak, Satyaprasad P. and Narayan, K. S.} } @article { ISI:000275045600020, title = {Observation of photoconductivity in Sn-doped ZnO nanowires and their photoenhanced field emission behavior}, journal = {Journal of Physical Chemistry C}, volume = {114}, number = {9}, year = {2010}, month = {MAR}, pages = {3843-3849}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Sn-doped ZnO nanowire films have been Successfully synthesized by electrodeposition oil zinc foil followed by annealing in air at 400 degrees C for 4 h. The XRD patterns of the annealed specimens exhibit I set of well-defined diffraction peaks indexed to the wurtzite phase of ZnO. The Surface morphology of the as-synthesized films showed a network of densely packed flakes/sheets oil the Substrate. However, upon annealing, the formation of ZnO nanowires, processing length in the range of several micrometers and diameter less than 150 nm, oil the entire substrate is observed. The relative atomic percentage of Sri, estimated from the energy dispersive spectra, was found to be 0.5 and 2.0 in the ZnO films deposited for 10 and 40 min durations, respectively. Front the field emission studies, the Values of the turn-on field and threshold field, required to draw emission Current density of 10 and 100 mu A/cm(2), are observed to be 0.68 and 1.1 V/mu m for 0.5\% Sn-doped ZnO and 1.72 and 2.25 V/mu m for 2.0\% Sn-doped ZnO, respectively. The field emission Current stability investigated for a duration Of h at the preset value of 100 mu A is found to be excellent. A prominent photoenhancement in the field emission Current upon visible light illumination of the Sn-doped ZnO nanowires films has been observed. This enhancement has been attributed to the photoconductivity of the Sn-doped ZnO.

}, issn = {1932-7447}, doi = {10.1021/jp911080f}, author = {Sheini, Farid Jamali and More, Mahendra A. and Jadkar, Sandesh R. and Patil, K. R. and Pillai, Vijaymohanan K. and Joag, Dilip S.} } @article { ISI:000275170800011, title = {One-pot synthesis of oleic acid-capped cadmium chalcogenides (CdE: E = Se, Te) nano-crystals}, journal = {Journal of Nanoparticle Research}, volume = {12}, number = {1, SI}, year = {2010}, month = {JAN}, pages = {101-109}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Surface-capped CdSe and CdTe nano-crystals (NCs) have been synthesized using cadmium acetate, oleic acid and respective tri-octylphosphine chalcogenide (TOPE; E = Se/Te) in diphenyl ether (DPE). Well-dispersed CdSe particles showed two absorption bands at the region of 431-34 and 458-60 nm in optical absorption study. A band-edge emission resulted at 515 nm with an excitation energy of 400 nm, in its photoluminescence (PL) spectrum. Similarly, UV-visible absorption study of CdTe revealed an absorption band at \< 700 nm. The broadened X-ray diffraction (XRD) pattern showed that at higher reaction temperature cubic CdSe but hexagonal CdTe can be obtained with crystallite size of \< 10 nm. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) revealed that agglomerated particles are of spherical nature. The inter-planar spacing in CdTe was measured to be 0.406 nm, a characteristic of (100) lattice plane in hexagonal CdTe. X-ray photoelectron spectroscopy (XPS) showed that CdSe NCs have better air stability stable than CdTe. Presence of organic moiety around the semiconductor particles was confirmed by infrared (IR) spectroscopy.

}, keywords = {Chemical synthesis, photoluminescence, Semiconductors, Surface capping}, issn = {1388-0764}, doi = {10.1007/s11051-008-9581-y}, author = {Khanna, P. K. and Rao, K. Srinivasa and Patil, K. R. and Singh, V. N. and Mehta, B. R.} } @article { ISI:000278611900017, title = {Orthogonally protected cyclohexanehexols by a {\textquoteleft}{\textquoteleft}one reaction - one product{\textquoteright}{\textquoteright} approach: efficient access to cyclitols and their analogs}, journal = {European Journal of Organic Chemistry}, number = {15}, year = {2010}, month = {MAY}, pages = {2945-2953}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Differentially protected myo-inositol derivatives were prepared from commercially available myo-inositol through regioselective O-alkylation reactions, which give a single product in each step. These derivatives were converted into six isomeric inositol derivatives carrying orthogonal hydroxy protecting groups. For all these reactions, conditions were chosen to prevent the formation of isomeric products, which obviates the need for separation of isomers and provides the required cyclitol derivative in very good yields. The synthetic potential of these derivatives was illustrated by the conversion of some of the orthogonally protected inositol derivatives into other cyclitol derivatives. Isomeric inositols were also prepared by the global deprotection of all the hydroxy groups.

}, keywords = {Alkylation, cyclitols, Inositol, Protecting groups, Regioselectivity}, issn = {1434-193X}, doi = {10.1002/ejoc.201000009}, author = {Jagdhane, Rajendra C. and Shashidhar, Mysore S.} } @article { ISI:000285797300007, title = {Oxidation of propane to acrylic acid and acetic acid over alkaline earth-doped Mo-V-Sb-O-x catalysts}, journal = {Journal of Natural Gas Chemistry}, volume = {19}, number = {6}, year = {2010}, month = {NOV}, pages = {593-599}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Alkaline earth metal (Mg, Ca, Sr and Ba)-doped Mo-V-Sb-O-x catalysts, prepared by a dry-up method, have been investigated for their catalytic performance in the oxidation of propane under different reaction conditions. The catalysts have been characterized by N-2 adsorption-desorption, temperature-programmed desorption (TPD) of NH3, SEM and XRD. Influence of water vapor on the catalytic performance, particularly on the selectivities to acetic acid and acrylic acid, has also been studied. The selectivity to acrylic acid was improved significantly by the doping of alkaline earth metals to Mo-V-Sb-O-x catalysts. The surface acidic sites of the catalyst decreased with the doping of the catalyst with alkaline earth metals, which ultimately was found to be beneficial for obtaining high selectivity to acrylic acid. The catalytic activity and product selectivities were found to be influenced by the reaction temperature, C3H8/O-2 ratio and space velocity. A significant improvement in the selectivity to acrylic acid has also been observed by the addition of water vapor in the feed of propane and oxygen in the oxidation of propane.

}, keywords = {Acetic acid, acrylic acid, alkaline earth doped Mo-V-Sb-O-x catalysts, oxidation of propane, Surface acidity}, issn = {1003-9953}, doi = {10.1016/S1003-9953(09)60122-5}, author = {Chaudhari, Chandan S. and Sable, Shailesh S. and Gurav, Hanumant and Kelkar, Ashutosh A. and Rane, Vilas H.} } @article { ISI:000279864100030, title = {Pd-catalyzed one-pot chemoselective hydrogenation protocol for the preparation of carboxamides directly from azides}, journal = {Tetrahedron Letters}, volume = {51}, number = {29}, year = {2010}, month = {JUL}, pages = {3815-3819}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Carboxamides were obtained efficiently in high yields from azides on reaction with the corresponding pre-formed activated carboxylic acids in a single-step reductive transformation using hydrogen atmosphere (balloon) under Pd/BaSO(4) or Pd/CaCO(3) catalysis. The method is highly chemoselective and compatible with extremely labile functional groups such as benzyl carbamates, benzyl ethers, benzyl esters, and olefins. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Azide, Carboxamide, Catalytic hydrogenation, Chemoselective, Palladium, Succinimide ester}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.05.066}, author = {Bavikar, Sudhir N. and Salunke, Deepak B. and Hazra, Braja G. and Pore, Vandana S. and Thierry, Josiane and Dodd, Robert H.} } @article { ISI:000274270100005, title = {Perturbations to Al-27 electric field gradients in nanocrystalline alpha-Al2O3 studied by high-resolution solid-state NMR}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {5}, year = {2010}, month = {FEB}, pages = {1775-1781}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Al-27 solid-state NMR has been employed to study the perturbations to Al-27 electric field gradients for the aluminum environments in nanocrystalline alpha-alumina. Triple quantum magic angle spinning experiments show that the octahedral aluminum coordination remains unchanged down to 12 nm, although severe perturbations to Al-27 electric field gradients are noticed at 28 nm and below. 3Q-MAS and SATRAS experimental data of nano alpha-alumina have been analyzed through extensive spectral simulations to probe Al-27 electric field gradients of aluminum in the grains and grain boundaries. While the aluminum in the grains has a unique field gradient tensor, the same octahedrally coordinated aluminum environments in the grain boundaries suffer a distribution of electric field gradients. This is evidenced by data analysis of both 3Q-MAS and SATRAS spectra. By invoking the Gaussian isotropic model, in which the (C-Q, eta(Q)) parameter space is discretely sampled by the Czjzek distribution, we have been able to analyze the Al-27 SATRAS spectra of nanocrystalline alpha-alumina samples having grain sizes of 52, 28, 20, and 12 nm. Good agreement between experimental and simulated spectra has led to the quantitative determination of grain and grain boundary components in these materials.

}, issn = {1520-6106}, doi = {10.1021/jp907469n}, author = {Sabarinathan, V. and Ramasamy, S. and Ganapathy, Subramanian} } @article { ISI:000274752700031, title = {Polycarbonate/clay nanocomposites via in situ melt polycondensation}, journal = {Industrial \& Engineering Chemistry Research}, volume = {49}, number = {5}, year = {2010}, month = {MAR}, pages = {2217-2227}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Polycarbonate (PC)/clay nanocomposites were prepared via in situ melt polycondensation using novel organoclays modified using phosphonium and imidazolium based cations. The molecular weight of the separated polymer separated from the nanocomposites reveals that phosphonium ion modified organoclays catalyze the polycondensation of bisphenol A with diphenyl carbonate. Wide angle X-ray diffraction (WAXD) and transmission electron microscopy (TEM) indicated that exfoliated polycarbonate/clay nanocomposites could be obtained using organoclays which have reactive bisphenol functionality in the modifier. The glass transition temperature (T(g)) of the nanocomposites was studied using differential scanning calorimetry (DSC). The use of a more thermally stable modifier did not improve the color in polycarbonate clay nanocomposites. Although an approach to produce fully exfoliated PC nanocomposites are evident from this study, the process is far from perfect From the point of producing a color free transparent PC.

}, issn = {0888-5885}, doi = {10.1021/ie9015649}, author = {Rama, Mallikarjuna S. and Swaminathan, Sivaram} } @article { ISI:000274292700015, title = {Polymer-supported palladium-imidazole complex catalyst for hydrogenation of substituted benzylideneanilines}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {317}, number = {1-2}, year = {2010}, month = {FEB}, pages = {111-117}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The polymer-supported palladium-imidazole complex catalyst was synthesized and characterized by various techniques Such as elemental analysis, IR spectroscopy and TG analysis. The physico-chemical properties such as bulk density, Surface studies by BET method and swelling studies of catalyst in different solvents were investigated. XPS Studies were carried out to identify the oxidation state of palladium in the catalyst. The morphology of the support and the catalyst was studied using scanning electron microscope. Using the synthesized catalyst, hydrogenation of benzylideneaniline and a few of its para Substituted derivatives was carried out at ambient conditions. The influence of variation in temperature, concentration of the catalyst as well as the substrate on the rate of reaction Was Studied. The catalyst showed an excellent recycling efficiency over six cycles without leaching of metal from the polymer support. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Benzylideneaniline, Hydrogenation, kinetics, Polymer-supported palladium-imidazole complex catalyst}, issn = {1381-1169}, doi = {10.1016/j.molcata.2009.10.030}, author = {Udayakumar, V. and Alexander, S. and Gayathri, V. and Shivakumaraiah and Patil, K. R. and Viswanathan, B.} } @article { ISI:000288092200005, title = {Preparation and characterization of bioceramic nanocomposites based on hydroxyapatite (HA) and carboxymethyl cellulose (CMC)}, journal = {Macromolecular Research}, volume = {18}, number = {12}, year = {2010}, month = {DEC}, pages = {1160-1167}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

We report the synthesis of biomimetic nanocomposites based on carboxymethyl cellulose (CMC) and hydroxyapatite (HA) nanoparticles via a co-precipitation method. Physico-chemical characterization was performed before and after calcination by Fourier transform infrared (FTIR) spectroscopy, solid state (31)P nuclear magnetic resonance (NMR) spectroscopy, and thermogravimetric analysis (TGA). The formation of nanocomposites was observed by wide angle X-ray diffraction (WAXD), scanning electron microscopy (SEM) with energy dispersive X-ray analysis (EDX), and transmission electron microscopy (TEM). The spectral and crystallographic data indicated the formation of hydroxyapatite in the presence of CMC. They were observed as aggregates of HA nanoparticles and CMC, whose sizes were approximately similar to 260 +/- 40 nm. The crystallite size of the hydroxyapatite particles decreased (with 2 wt\% 18 +/- 3 nm) with increasing CMC content. The morphological aspects of the calcined samples revealed the sintering ability of HA nanoparticles. Nanocomposites of hydroxyapatite nanoparticles that mimic the process of nucleation and growth in nature can be prepared using biomacromolecules such as CMC.

}, keywords = {biopolymer, cellulose, hydroxyapatite, Nanoparticles, Particle size, X-ray diffraction}, issn = {1598-5032}, doi = {10.1007/s13233-010-1208-3}, author = {Kumar, Annamalai Pratheep and Mohaideen, Kamal Khaja and Alariqi, Sameh A. S. and Singh, Raj Pal} } @article { ISI:000274069000060, title = {Preparation and characterization of novel hybrid of bio-assisted mineralized Zn-Al layered double hydroxides using chitosan as a template}, journal = {Journal of Applied Polymer Science}, volume = {115}, number = {6}, year = {2010}, month = {MAR}, pages = {3636-3644}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

The purpose of this study was to prepare and characterize a novel nanohybrid prepared from the template-assisted mineralization of Zn-Al Layered Double Hydroxide (LDH) onto the surface of Chitosan (CSI), with an emphasis on morphology, biocompatibitity, and its use as an efficient drug carrier agent. The as prepared LDH is highly crystalline, with platelet-like morphology and curved tactoids when nucleated onto the surface of CSI. Our results indicate that the -OH and -NH functional moieties on CSI can direct an ordered structure of LDH, due to the electrostatic interaction between biopolymer and inorganic lamellae. We have been successful to intercalate an anti-inflammatory drug, Sodium Ibuprofen (Ibu), into LDH, through conventional coprecipitation method. LDHs are endowed with great potential for delivery vector because their stacked layers lead to safe reservation of biofunctional molecules or genes, and their ion exchangeability and solubility in acidic media (pH \< 4) give rise to the controlled release of drug molecules. According to the cell-growth studies, LDHs are found as cell viable up to the concentration of 500 mu g/mL. This study reveals that LDH not only plays a role of a biocompatible-delivery matrix but also facilitates a significant increase in the delivery efficiency. (C) 2009 Wiley Periodicals, Inc. J Appl Polym Sci 115:3636-3644,2010

}, keywords = {bio-assisted mineralization, cell-growth studies, Chitosan, drug delivery systems, layered double hydroxides}, issn = {0021-8995}, doi = {10.1002/app.31463}, author = {Depan, Dilip and Singh, Raj Pal} } @article { ISI:000282201200049, title = {Production and characterization of a biodegradable poly (hydroxybutyrate-co-hydroxyvalerate) (PHB-co-PHV) copolymer by moderately haloalkalitolerant Halomonas campisalis MCM B-1027 isolated from Lonar Lake, India}, journal = {Bioresource Technology}, volume = {101}, number = {24}, year = {2010}, month = {DEC}, pages = {9765-9771}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Several microorganisms produce polyhydroxyalkanoates (PHA). They are accumulated intracellularly as energy storage compounds. The PHAs are of interest because of their potential in biomedical applications. Halophilic bacteria and archaea are known to produce polyhydroxybutyrate (PHB). This paper describes production of a biodegradable copolymer, PHB-co-PHV by a moderately haloalkalitolerant Halomonas campisalis, isolated from Lonar Lake, India. The production of PHA was in the range of 45-81\% on dry cell weight basis when the organism was grown in a production medium containing 1\% (w/v) maltose and 0.1\% (w/v) yeast extract, at pH ranging from 6 to 9 with an inoculum density of 10(5)-10(7) cells/ml of medium, for incubation period of 15-30 h and at 37 degrees C. The polymer produced by the organism is a hydroxyester with molecular weight of 1.3014 x 10(6). Its melting temperature was 171 degrees C. The (1)H NMR analysis revealed that the polymer was a copolymer of PHB-co-PHV. This could be achieved by providing simple carbon source viz. maltose. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Biodegradable plastics, Halomonas campisalis, Polyhydroxyalkanoates}, issn = {0960-8524}, doi = {10.1016/j.biortech.2010.07.089}, author = {Kulkarni, S. O. and Kanekar, Pradnya P. and Nilegaonkar, S. S. and Sarnaik, S. S. and Jog, Jyoti Prakash} } @article { ISI:000281382400015, title = {Protoplast formation and regeneration in lactobacillus delbrueckii}, journal = {Indian Journal of Microbiology}, volume = {50}, number = {1}, year = {2010}, month = {MAR}, pages = {97-100}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Method for production and regeneration of Lactobacillus delbrueckii protoplasts are described. The protoplasts were obtained by treatment with a mixture of lysozyme and mutanolysin in protoplast buffer at pH 6.5 with different osmotic stabilizers. The protoplasts were regenerated on deMan, Rogosa and Sharpe (MRS) with various osmotic stabilizers. Maximum protoplast formation was obtained in protoplast buffer with sucrose as an osmotic stabilizer using a combination of lysozyme (1 mg/ml) and mutanolysin (10 mu g/ml). Maximum protoplast regeneration was obtained on MRS medium with sucrose (0.5 M) as an osmotic stabilizer. The regeneration medium was also applicable to other species of lactobacilli as well. This is, to our knowledge, the first report on protoplast formation and efficient regeneration in case of L. delbrueckii.

}, keywords = {Lactobacillus delbrueckii, Protoplast formation, Protoplast regeneration}, issn = {0046-8991}, doi = {10.1007/s12088-010-0008-y}, author = {Singhvi, Mamta and Joshi, Dipti and Gaikaiwari, Shalaka A. and Gokhale, Digambar V.} } @article { ISI:000282507400010, title = {Purification and characterization of two distinct acidic phytases with broad pH stability from aspergillus niger NCIM 563}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {26}, number = {11}, year = {2010}, month = {NOV}, pages = {2009-2018}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Aspergillus niger NCIM 563 produced two different extracellular phytases (Phy I and Phy II) under submerged fermentation conditions at 30A degrees C in medium containing dextrin-glucose-sodium nitrate-salts. Both the enzymes were purified to homogeneity using Rotavapor concentration, Phenyl-Sepharose column chromatography and Sephacryl S-200 gel filtration. The molecular mass of Phy I and II as determined by SDS-PAGE and gel filtration were 66, 264, 150 and 148 kDa respectively, indicating that Phy I consists of four identical subunits and Phy II is a monomer. The pI values of Phy I and II were 3.55 and 3.91, respectively. Phy I was highly acidic with optimum pH of 2.5 and was stable over a broad pH range (1.5-9.0) while Phy II showed a pH optimum of 5.0 with stability in the range of pH 3.5-9.0. Phy I exhibited very broad substrate specificity while Phy II was more specific for sodium phytate. Similarly Phy II was strongly inhibited by Ag(+), Hg(2+) (1 mM) metal ions and Phy I was partially inhibited. Peptide analysis by Mass Spectrometry (MS) MALDI-TOF also indicated that both the proteins were totally different. The K (m) for Phy I and II for sodium phytate was 2.01 and 0.145 mM while V (max) was 5,018 and 1,671 mu mol min(-1) mg(-1), respectively. The N-terminal amino acid sequences of Phy I and Phy II were FSYGAAIPQQ and GVDERFPYTG, respectively. Phy II showed no homology with Phy I and any other known phytases from the literature suggesting its unique nature. This, according to us, is the first report of two distinct novel phytases from Aspergillus niger.

}, keywords = {Aspergillus niger, Phytase, Phytate, Poultry feed, Purification}, issn = {0959-3993}, doi = {10.1007/s11274-010-0385-8}, author = {Soni, S. K. and Magdum, A. and Khire, Jayant Malhar} } @article { ISI:000284238000028, title = {Rapid generation of hierarchical nanoarchitectures of CdS via facile microwave assisted hydrothermal/semi-solvothermal route}, journal = {International Journal of Nanotechnology}, volume = {7}, number = {9-12, SI}, year = {2010}, month = {DEC}, pages = {1120-1130}, publisher = {INDERSCIENCE ENTERPRISES LTD}, address = {WORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 896, CH-1215 GENEVA, SWITZERLAND}, abstract = {

1-D nanorod bundles as well as sea urchin and starfish like hierarchical morphological nanoarchitectures of CdS have been synthesised using a facile microwave assisted hydrothermal/semi-solvothermal technique. Observation of interesting regular/irregular pine-tree like secondary growth over these hierarchical nanoarchitectures is an important aspect of this work. Cadmium acetate and thiourea were used as precursor materials and were dissolved in solution containing mixture of diethylene triamine (DETA) and deionised water (DIW) in different volume ratios prior to subjecting the resultant solution to microwave radiation of 300 W at a reaction time of 10 min and temperature of 140 degrees C. XRD revealed formation of hexagonal CdS with strong (002) preferred orientation (c-axis orientation). Morphology dependent optical properties are studied using room temperature photoluminescence spectroscopy. We feel such secondary growth will be highly favourable in determining the non-linear properties of optoelectronic devices fabricated using such novel hierarchical nanoarchitectures.

}, keywords = {CdS, hierarchical nanoarchitectures, Microwave, Nanorods, secondary growth, solvothermal synthesis}, issn = {1475-7435}, author = {Shinde, Manish D. and Pawar, Amol U. and Sreeja, V. and Rane, Sunit and Potdar, Hari S. and Amalnerkar, Dinesh P.} } @article { ISI:000284533700013, title = {Regiospecific azidoiodination of alkenes with sodium periodate, potassium iodide, and sodium azide: a high-yield synthesis of beta-iodoazides}, journal = {Synthesis-Stuttgart}, number = {22}, year = {2010}, month = {NOV}, pages = {3879-3882}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The combination of sodium periodate, potassium iodide, and sodium azide has been found to be an efficient, simple, and inexpensive reagent system for azidoiodination of alkenes. The regiospecific 1,2-azidoiodination proceeds in an anti-Markovnikov fashion to produce beta-iodoazides in excellent yields.

}, keywords = {alkenes, azides, azidoiodination, beta-iodoazides, regio-specific}, issn = {0039-7881}, doi = {10.1055/s-0030-1258250}, author = {Chouthaiwale, Pandurang V. and Karabal, Pratibha U. and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000278832400011, title = {Regiospecific oxyhalogenation of aromatics over SBA-15-supported nanoparticle group IV-VI metal oxides}, journal = {Catalysis Letters}, volume = {137}, number = {3-4}, year = {2010}, month = {JUL}, pages = {190-201}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

TiO(x), VO(x), MoO(x) and WO(x) supported on SBA-15 exhibit efficient catalytic activity for oxyhalogenation of aromatics with the H(2)O(2)-halide ion system. Unlike the hitherto known solid catalysts, these reusable catalysts yield the para-halogenated product with 100\% selectivity at 298 K and moderate acidic pH (3-5). The catalytic activity was enhanced by five orders of magnitude when supported on SBA-15.

}, keywords = {Haloperoxidase activity, Ordered mesoporous silica, Oxyhalogenation of aromatics, SBA-15, Supported metal oxides}, issn = {1011-372X}, doi = {10.1007/s10562-010-0350-z}, author = {Saikia, Lakshi and Rajesh, M. and Srinivas, Darbha and Ratnasamy, P.} } @article { ISI:000279085200015, title = {Regularly alternating poly(amideimide)s containing pendent pentadecyl chains: synthesis and characterization}, journal = {European Polymer Journal}, volume = {46}, number = {6}, year = {2010}, month = {JUN}, pages = {1307-1315}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Two new aromatic diamines containing preformed amide linkages, viz., N,N{\textquoteright}-(4-pentadecyl-1,3-phenylene)bis(4-aminobenzamide) I and N,N{\textquoteright}-(4-pentadecyl-1,3-phenylene)bis(3-aminobenzamide) II, were synthesized by reaction of 4-pentadecylbenzene-1,3-diamine with 4-nitrobenzoylchloride and 3-nitrobenzoylchloride, followed by reduction of the respective dinitro derivatives. A series of new poly(amideimide)s was synthesized by poly-condensation of I and II with four commercially available aromatic dianhydrides, viz., pyromellitic dianhydride (PMDA), 4,4{\textquoteright}-biphenyltetracarboxylic dianhydride (BPDA), 4,4{\textquoteright}-oxydiphthalic anhydride (ODPA), and 4,4{\textquoteright}-(hexafluoroisopropylidene)diphthalic anhydride (6-FDA) in N,N-dimethylacetamide (DMAc) employing conventional two step method via poly(amic acid) intermediate followed by thermal imidization. Reference poly(amideimide)s were synthesized by polycondensation of N,N{\textquoteright}-(1,3-phenylene)bis(4-aminobenzamide) and N,N{\textquoteright}-(1,3-phenylene)bis(3-aminobenzamide) with the same aromatic dianhydrides. Inherent viscosities of poly(amideimide)s containing pendent pentadecyl chains were in the range 0.37-1.23 dL/g in N,N-dimethylacetamide at 30 +/- 0.1 degrees C indicating the formation of medium to high molecular weight polymers. The poly(amideimide)s containing pendent pentadecyl chains were found to be soluble in N,N-dimethylacetamide, N,N-dimethylformamide, 1-methyl-2-pyrrolidinone and pyridine and could be cast into transparent, flexible and tough films from their N,N-dimethylacetamide solution. Wide angle X-ray diffraction patterns exhibited broad halo indicating that the polymers were essentially amorphous in nature. X-ray diffractograms also displayed sharp reflection in the small angle region (20 approximate to 3 degrees) for poly(amideimide)s containing pentadecyl chains indicating the formation of layered structure arising from packing of flexible pentadecyl chains. The glass transition temperatures observed for reference poly(amideimide)s were in the range 331-275 degrees C and those for poly(amideimide)s containing pendent pentadecyl chains were in the range 185-286 degrees C indicating a large drop in T(g), owing to the {\textquoteleft}{\textquoteleft}internal plasticization{\textquoteright}{\textquoteright} effect of pentadecyl chains. The temperature at 10\% weight loss (T(10)), determined by TGA in nitrogen atmosphere, were in the range 460-480 degrees C indicating their good thermal stability. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Glass transition temperature, Pendent pentadecyl chain, Poly(amideimide)s, Preformed amide linkage, thermal stability}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2010.03.007}, author = {Sadavarte, Nilakshi V. and Avadhani, C. V. and Naik, Parimal V. and Wadgaonkar, Prakash P.} } @article { ISI:000278725100023, title = {Renewable H-2 from glycerol steam reforming: effect of La2O3 and CeO2 addition to Pt/Al2O3 catalysts.}, journal = {Chemsuschem}, volume = {3}, number = {5}, year = {2010}, month = {MAY}, pages = {619-628}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Glycerol is the main byproduct of biodiesel production and its increased production volume derives from the increasing demand for biofuels. The conversion of glycerol to hydrogen-rich mixtures presents an attractive route towards sustainable biodiesel production. Here we explored the use of Pt/Al2O3-based catalysts for the catalytic steam reforming of glycerol, evidencing the influence of La2O3 and CeO2 doping on the catalyst activity and selectivity. The addition of the latter metal oxides to a Pt/Al2O3 catalyst is found to significantly improve the glycerol steam reforming, with high H-2 and CO2 selectivities. A good catalytic stability is achieved for the Pt/La2O3/Al2O3 system working at 350 degrees C, while the Pt/CeO2/Al2O3 catalyst sharply deactivates after 20 h under similar conditions. Studies carried out on fresh and exhausted catalysts reveal that both systems maintain high surface areas and high Pt dispersions. Therefore, the observed catalyst deactivation can be attributed to coke deposition on the active sites throughout the catalytic process and only marginally to Pt nanoparticle sintering. This work suggests that an appropriate support composition is mandatory for preparing high-performance Pt-based catalysts for the sustainable conversion of glycerol into syngas.

}, keywords = {biofuels, Glycerol, heterogeneous catalysis, platinum, supported catalysts}, issn = {1864-5631}, doi = {10.1002/cssc.200900243}, author = {Montini, Tiziano and Singh, Rakesh and Das, Piyali and Lorenzut, Barbara and Bertero, Nicolas and Riello, Pietro and Benedetti, Alvise and Giambastiani, Giuliano and Bianchini, Claudio and Zinoviev, Sergey and Miertus, Stanislav and Fornasiero, Paolo} } @article { ISI:000276592000007, title = {Robustness of the drosophila segment polarity network to transient perturbations}, journal = {IET Systems Biology}, volume = {4}, number = {2}, year = {2010}, month = {MAR}, pages = {169-176}, publisher = {INST ENGINEERING TECHNOLOGY-IET}, address = {MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND}, abstract = {

Continuous and Boolean models for the Drosophila segment polarity network have shown that the system is able to maintain the wild-type pattern when subjected to sustained changes in the interaction parameters and initial conditions. Embryo development is likely to occur under fluctuating environmental conditions. Here, a well-established Boolean model is used to explore the ability of the segment polarity network to resist transient changes. Paths along which alternate unviable states are reached, and hence critical nodes whose state changes lead the system away from the wild-type state, are identified. It is found that the system appears to be more sensitive to changes that involve activation of normally inactive nodes. Through a simulation of the heat shock response, it is shown how a localised perturbation in one parasegment is more deleterious than a global perturbation affecting all parasegments. The sequence of events involved in the recovery of the system from a global transient heat shock condition is identified. Finally, these results are discussed in terms of the robustness of the system response.

}, issn = {1751-8849}, doi = {10.1049/iet-syb.2009.0036}, author = {Subramanian, K. and Gadgil, Chetan J.} } @article { ISI:000282871600015, title = {Selective CO2 and H-2 adsorption in a chiral magnesium-based metal organic framework (Mg-MOF) with open metal sites}, journal = {Journal of Materials Chemistry}, volume = {20}, number = {41}, year = {2010}, month = {SEP}, pages = {9073-9080}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A rare porous magnesium-based metal-organic framework, Mg-MOF-1 [Mg(3,5-PDC)(H2O)], was synthesized solvothermally in DMF. Structural determination by X-ray single-crystal diffraction technique reveals that this chiral MOF (space group P6(1)22) is constructed by helical assembly of Mg2+ ions with achiral 3,5-pyridine dicarboxylates and coordinating water molecules, to form a three-dimensional framework with parallel hexagonal channels. The structural detail of its 0D analogue Mg-MOF-2 [Mg(2,4-PDC)(H2O)(3)] has been discussed to show how subtle variation in the ligand architecture changes the resulting structure from 0D to 3D. Mg-MOF-1 remains robust and porous upon evacuation of the coordinating water molecules. This is the first report of a chiral hexagonal Mg-MOF synthesized from an achiral organic building unit. Open Mg metal sites show selective hydrogen (H-2) adsorption (ca. 0.8 wt\% at 77 K) and carbon dioxide (CO2) uptake (ca. 0.7 mmol g(-1) at 298 K) over nitrogen at 1 atm. Ab initio quantum chemical calculation of adsorption energies and possible adsorption sites of hydrogen molecules are also reported.

}, issn = {0959-9428}, doi = {10.1039/c0jm01125h}, author = {Mallick, Arijit and Saha, Subhadeep and Pachfule, Pradip and Roy, Sudip and Banerjee, Rahul} } @article { ISI:000278198200009, title = {Short enantioselective synthesis of guggultetrol, a naturally occurring lipid}, journal = {Tetrahedron-Asymmetry}, volume = {21}, number = {5}, year = {2010}, month = {MAR}, pages = {558-561}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An enantioselective synthesis of the naturally occurring lipid, guggultetrol, is described with an overall yield of 24\% starting from commercially available 1-pentadecanol in ten linear steps. The key chiral-inducing steps include a Sharpless asymmetric epoxidation of allylic alcohol and a dihydroxylation of an alpha,beta-unsaturated ester. (C) 2010 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2010.02.019}, author = {George, Shyla and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000284261800094, title = {Small molecule inhibition of phosphatidylinositol-3,4,5-triphosphate (PIP3) binding to pleckstrin homology domains}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {107}, number = {46}, year = {2010}, month = {NOV}, pages = {20126-20131}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

The PI3-kinase (PI3K) pathway regulates many cellular processes, especially cell metabolism, cell survival, and apoptosis. Phosphatidylinositol-3,4,5-trisphosphate (PIP3), the product of PI3K activity and a key signaling molecule, acts by recruiting pleckstrin-homology (PH) domain-containing proteins to cell membranes. Here, we describe a new structural class of nonphosphoinositide small molecule antagonists (PITenins, PITs) of PIP3-PH domain interactions (IC50 ranges from 13.4 to 31 mu M in PIP3/Akt PH domain binding assay). PITs inhibit interactions of a number of PIP3-binding PH domains, including those of Akt and PDK1, without affecting several PIP2-selective PH domains. As a result, PITs suppress the PI3K-PDK1-Akt pathway and trigger metabolic stress and apoptosis. A PIT-1 analog displayed significant antitumor activity in vivo, including inhibition of tumor growth and induction of apoptosis. Overall, our studies demonstrate the feasibility of developing specific small molecule antagonists of PIP3 signaling.

}, keywords = {Anticancer, PIP3 antagonist}, issn = {0027-8424}, doi = {10.1073/pnas.1004522107}, author = {Miao, Benchun and Skidan, Igor and Yang, Jinsheng and Lugovskoy, Alexey and Reibarkh, Mikhail and Long, Kai and Brazell, Tres and Durugkar, Kulbhushan A. and Maki, Jenny and Ramana, C. V. and Schaffhausen, Brian and Wagner, Gerhard and Torchilin, Vladimir and Yuan, Junying and Degterev, Alexei} } @article { ISI:000285682500012, title = {Solid-acid-based process for the conversion of hemicellulose}, journal = {Green Chemistry}, volume = {12}, number = {12}, year = {2010}, month = {DEC}, pages = {2153-2156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We describe a solid-acid-catalyzed conversion of hemicellulose (a component of lignocellulosic material) into xylose, arabinose and furfural in aqueous media.

}, issn = {1463-9262}, doi = {10.1039/c004128a}, author = {Dhepe, Paresh Laxmikant and Sahu, Ramakanta} } @proceedings {42678, title = {On some aspects of fock-space multi-reference coupled-cluster singles and doubles energies and optical properties}, volume = {11}, year = {2010}, month = {APR}, pages = {375-393}, publisher = {Springer}, address = {Netherlands}, author = {Manohar, Prashant Uday and Shamasundar, K. R. and Bag, Arijit and Vaval, Nayana and Pal, Sourav} } @article { ISI:000275455500010, title = {Strain improvement of lactobacillus lactis for d-lactic acid production}, journal = {Biotechnology Letters}, volume = {32}, number = {4}, year = {2010}, month = {APR}, pages = {517-520}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Three mutants, isolated by repeated UV mutagenesis of Lactobacillus lactis NCIM 2368, produced increased d-lactic acid concentrations. These mutants were compared with the wild type using 100 g hydrolyzed cane sugar/l in the fermentation medium. One mutant, RM2-24, produced 81 g lactic acid/l which was over three times that of the wild type. The highest d-lactic acid (110 g/l) in batch fermentation was obtained with 150 g cane sugar/l with a 73\% lactic acid yield. The mutant utilizes cellobiose efficiently, converting it into d-lactic acid suggesting the presence of cellobiase. Thus, this strain could be used to obtain d-lactic acid from cellulosic materials that are pre-hydrolyzed with cellulase.

}, keywords = {Cellobiose utilization, D-Lactic acid production, Lactobacillus lactis, Mutant, Sucrose (cane sugar)}, issn = {0141-5492}, doi = {10.1007/s10529-009-0187-y}, author = {Joshi, D. S. and Singhvi, M. S. and Khire, Jayant Malhar and Gokhale, D. V.} } @article {42725, title = {Structural diversity in manganese, iron and cobalt complexes of the ditopic 1,2- bis(2,2{\textquoteright}-bipyridyl-6-yl)ethyne ligand and observation of epoxidation and catalase activity of manganese compounds}, journal = {Royal Society of Chemistry}, volume = {39}, year = {2010}, month = {JUN}, pages = {7266-7275}, abstract = {

A ditopic 1,2-bis(2,2'-bipyridyl-6-yl)ethyne ligand, L, has been synthesized for the first time by consecutive Suzuki and Sonogashira coupling reactions either in a one- or two-step synthesis. Coordination of L with some first-row transition metals, Fe, Mn and Co showed a very rich structural diversity that can be obtained with this ligand. Reaction of L with MnII(OAc)2 yielded a dimanganese(II) complex, [Mn2L(μ-OAc)3]PF6, (1) where the two somewhat inequivalent trigonal-bipyramidal Mn atoms separated by 3.381 {\r A} are bridged by L and three acetate moieties. A similar reaction of L with MnIII(OAc)3 yielded a very different dimanganese complex [Mn2L'(OH)(OAc)2(DMF)2]PF6{\textperiodcentered}DMF (2) where L' is a E-1,2-bis(2,2'-bipyridyl-6-yl)ethene fragment that was formed in situ. The L' ligand bridges between the two Mn centers, despite its trans configuration, which leads to a very strained ethene bridging moiety. The Mn atoms are also bridged by two acetate ligands and a hydroxy group that bridges between the Mn atoms and the ethene fragment; DMF completes the octahedral coordination around each Mn atom which are separated by 3.351 {\r A}. A comproportionation reaction of L with MnII(OAc)2 and n-Bu4NMnO4 yielded a tetramanganese compound, [Mn4(μ3-O)2(OAc)4(H2O)2L2](PF6)2{\textperiodcentered}2CH3CN (3). Compound 3 has a dimer of dimers structure of the tetranuclear Mn core that consists of binuclear [Mn2O(OAc)2L]+ fragment and a PF6 anion. BVS calculations indicate that 3 is a mixed-valent 2MnII plus 2MnIII compound where two [MnII2O(OAc)2L]+ fragments are held together by MnIII{\textendash}O inter-fragment linkers which have a distorted octahedral geometry. The Mn atoms in the [Mn2O(OAc)2L]+ fragments have a capped square-pyramid configuration where an aqua ligand is capped on one of the faces. Although the aqua ligand is well within a bonding distance to a carbon atom of the proximal ethyne bridge, there does not appear to be an oxygen{\textendash}carbon bond formation, rather the ligand is constrained in this position, as deduced by the observation that the bond lengths and angles of the ligand are essentially the same as those for the free ligand, L. Reaction of L with perchlorate or triflate salts of Fe(II), Mn(II) and Co(II) in dry acetonitrile yielded binuclear triple helicate structures (2[thin space (1/6-em)]:[thin space (1/6-em)]3 metal to L ratios) [Fe2L3](CF3SO3)4{\textperiodcentered}CH3CN (4), [Mn2L3](ClO4)4{\textperiodcentered}1.7CH3CN{\textperiodcentered}1.65EtOEt (5) and [Co2L3](ClO4)4{\textperiodcentered}2CH3CN{\textperiodcentered}2EtOEt (6) where each M(II) center with a slightly distorted octahedral geometry is bridged by three of the ditopic ligands. The M{\textendash}M distances varied; 5.961 {\r A} (Mn), 6.233 {\r A} (Co) 6.331 {\r A} (Fe). Reaction of L with Co(ClO4)2{\textperiodcentered}6H2O in wet acetonitrile yielded a dicobalto(III) compound, [Co2L'3(O)2](ClO4)2{\textperiodcentered}H2O (7), with two types of L' fragments; one bridging between the two Co centers and two non-bridging ligands, each bonded to a Co atom via one bipyridyl group where the other is non-bonding. The octahedral coordination sphere around each Co atom is completed by the formation of a cobalt{\textendash}carbon bond from the two carbon atoms of the ethene moiety of the bridging ligand and by a hydroxy moiety that is also bonded to the ethene group of the non-bridging ligand. Reaction of L with Co(ClO4)2{\textperiodcentered}6H2O in dry acetonitrile in the presence of Et3N yielded the tetracobalto(II) complex {[Co2L4(OH)4](ClO4)4}2 (8) with a unique twisted square configuration of cobalt ions with Co{\textendash}Co distances of 3.938 to 4.131 {\r A}. In addition to the L bridging ligand the Co atoms are linked by hydroxy moieties. Some preliminary catalytic studies showed that the Mn compounds 1 and 2 were active (high yield within 3 min) for alkene epoxidation with peracetic acid and hydrogen peroxide dismutation (catalase activity).

}, doi = {10.1039/B925129D}, author = {Madhu, Vedichi and Ekambaram, Balaraman and Shimon, Linda J. W. and Diskin, Yael and Leitus, Gregory and Neumann, Ronny} } @article { ISI:000273580700038, title = {Structure, electronic structure, optical, and dehydrogenation catalytic study of (Zn1-zInz)(O1-xNx) solid solution}, journal = {Chemistry of Materials}, volume = {22}, number = {2}, year = {2010}, month = {JAN}, pages = {565-578}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Indium and nitrogen codoping in ZnO leads to a solid solution of InN in ZnO with I composition of(Zn1-zInz)(O1-xNx). A simple solution combustion method has been adopted to prepare the above materials in less than 10 min with metal nitrates as the metal loll source and urea as fuel. With reference to ZnO, significant increase in lattice parameters was observed with increasing In-content. However, the In2O3 phase was Observed along with InN for]it content \>= 10\%. Optical absorption extended into the Visible region, at least LIP to 550 nm, demonstrates an effective reduction of optical band gap due to the formation of solid Solution. A new feature observed just above O2p valence band in X-ray photoelectron spectroscopy (XPS) suggests the creation of N 2p states from InN; the N Is core level XPS result too confirms nitride contribution. Raman spectroscopy and secondary ion mass spectrometry results show direct In-N, Zn-N. and In-N-Zn fragments in (Zn1-zInz)(O1-x,N-x). Catalytic activity explored for Oxidation of 2-butanol to ethyl methyl ketone demonstrates a high selectivity at 350 and 400 degrees C. All of the above characteristics suggest the multifunctional nature of (Zn1-zInz)(O1-xNx) and its potential for other applications.

}, issn = {0897-4756}, doi = {10.1021/cm903368r}, author = {Mapa, Maitri and Sivaranjani, Kumarsrinivasan and Bhange, Deu S. and Saha, Biswajit and Chakraborty, Purushottam and Viswanath, Annamraju Kasi and Gopinath, Chinnakonda S.} } @article { ISI:000278230700005, title = {Studies of antimicrobial activity of turmeric (Curcuma Longa L.) leaves and rhizomes collected during plant growth phases}, journal = {Research Journal of Biotechnology}, volume = {5}, number = {2}, year = {2010}, month = {MAY}, pages = {24-28}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {

Turmeric is the processed underground rhizome used as spice, herbal medicines, dying agent and cosmetics. The leaves and rhizomes of this plant were collected at periodic intervals. These samples were air dried, powdered and extracted with MeOH and EtOH. Antibacterial activity of these extracts was determined against three different index microbes, gram-positive cocci, gram-negative rod and cocci using well diffusion method with appropriate controls. Antimicrobial activity of the 4-month-old leaves was found to be the maximum while that of mature and fresh rhizomes was the maximum against both gram-positive and Gram-negative bacteria.

}, keywords = {antibacterial activity, Curcuma longa, Leaf extract, Minimum inhibitory concentration, rhizome extract}, issn = {0973-6263}, author = {Shirgurkar, M. V. and Thengane, Shubhada Ratnakar} } @article { ISI:000276492300024, title = {Switching of hydrophilic to ultra hydrophilic properties of flower-like gold nanostructures}, journal = {Applied Surface Science}, volume = {256}, number = {13}, year = {2010}, month = {APR}, pages = {4192-4195}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Flower-like morphologies of gold nanostructures were obtained via chemical method by controlling molar concentration ratio of reducing agent and precursor. Chloroauric acid was used as a metal precursor while tri-sodium citrate as the reducing agent. These flower-like structures were characterized by UV-vis spectroscopy, Scanning Electron Microscopy (SEM) and X-ray Diffraction (XRD) techniques. The basic crystallite size calculated via XRD measurement was found to be similar to 10 nm and remain unaffected by the different concentration ratios. The coating of these structures was made over clean glass substrate and analyzed for wettability by measuring their water contact angles. Our analysis indicates that the coatings of hierarchical flower-like structures of gold are able to provide ultra hydrophilic properties to glass substrate. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Gold flower-like nanostructures, Ultra hydrophilic, Wettability}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2010.01.123}, author = {Dhumale, Vinayak A. and Shah, Preeti V. and Mulla, Imtiaz S. and Sharma, R. B.} } @article { ISI:000278319300033, title = {Synthesis and biodegradation studies of new copolymers based on sucrose derivatives and styrene}, journal = {European Polymer Journal}, volume = {46}, number = {5}, year = {2010}, month = {MAY}, pages = {1151-1157}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Novel unsaturated esters of sucrose were synthesised directly and in good yields from sucrose using a simple, mild, and selective Mitsunobu procedure. These regioisomerically pure vinyl sugars have been copolymerised with styrene by a free radical process, yielding unbranched linear polymer materials with pendant sucrose moieties. Their physical properties indicate that these polymers have potential technological relevance as amphiphilic and biodegradable materials. Biodegradation tests on the copolymer samples by a fungal (Aspergillus niger) culture method showed a fungal growth \>= 60\%, indicating good biodegradability and that the copolymers were partiallybio-assimilated during microbial attack. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Biodegradable copolymers, Biodegradation culture test, free radical copolymerization, Vinyl sucrose ester monomers}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2010.02.002}, author = {Barros, M. Teresa and Petrova, Krasimira T. and Singh, Raj P.} } @article { ISI:000278626400054, title = {Synthesis and biological evaluation of new 2-chloro-3-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)quinoline derivatives via click chemistry approach}, journal = {European Journal of Medicinal Chemistry}, volume = {45}, number = {7}, year = {2010}, month = {JUL}, pages = {3142-3146}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Synthesis of new 2-chloro-3-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)quinoline derivatives (4a-h) using 1,3-dipolar cycloaddition (click chemistry) reaction of 3-(azidomethyl)-2-chloro-quinoline derivatives (3a-h) with phenyl acetylene in the presence of Cu(I) catalyst has been achieved in very high yield. These molecules were evaluated in vitro for their antifungal and antibacterial activity. Most of the compounds exhibited significant antifungal and antibacterial activity against all the tested strains. (C) 2010 Elsevier Masson SAS. All rights reserved.

}, keywords = {1, 2, 2-Chloro3-formyl quinoline, 3-Triazole, Antibacterial, antifungal, Click chemistry}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2010.04.002}, author = {Kategaonkar, Amol H. and Shinde, Pravin V. and Kategaonkar, Atul H. and Pasale, Sharad K. and Shingate, Bapurao B. and Shingare, Murlidhar S.} } @article { ISI:000281369500037, title = {Synthesis and characterization of aromatic polyazomethines bearing pendant pentadecyl chains}, journal = {Polymer Degradation and Stability}, volume = {95}, number = {9}, year = {2010}, month = {SEP}, pages = {1727-1735}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Aromatic diamine monomer viz., 4-(4{\textquoteright}-aminophenoxy)-2-pentadecylbenzenamine containing pendant pentadecyl chain was synthesized starting from cashew nut shell liquid - a renewable resource material and was characterized by FTIR, (1)H and (13)C NMR spectroscopy. A series of new (co) polyazomethines containing pendant pentadecyl chains and flexibilizing ether linkages was synthesized by polycondensation of 4-(4{\textquoteright}-aminophenoxy)-2-pentadecyl benzenamine with commercially available aromatic dialdehydes viz., terephthaldehyde (TPA), isophthaldehyde (IPA) and varying mixture of TPA and IPA. Inherent viscosities and number average molecular weights of (co) polyazomethines were in the range 0.50-0.70 dL/g and 10,490-40-800 (GPC, polystyrene standard), respectively indicating formation of medium to reasonably high molecular weight polymers. (Co) polyazomethines containing pendant pentadecyl chains were found to be soluble in common organic solvents such as chloroform, dichloromethane, tetrahydrofuran, pyridine, m-cresol and could be cast into transparent and stretchable films from their solution in chloroform. (Co) polyazomethines were essentially amorphous in nature and the formation of loosely-developed layered structure was observed arising from the packing of pendant pentadecyl chains. Polyazomethines exhibited glass transition temperatures (T(g)) in the range 21-48 degrees C. The observed depression of glass transition temperature could be ascribed to the {\textquoteleft}{\textquoteleft}internal plasticization{\textquoteright}{\textquoteright} effect of pentadecyl chains. The temperature at 10\% wt loss (T(10)), determined from TGA in nitrogen atmosphere of polyazomethines were in the range 434-441 degrees C indicating their good thermal stability. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Cashew nut shell liquid, CNSL, pentadecyl, polyazomethines, renewable, Side-chain, solubility}, issn = {0141-3910}, doi = {10.1016/j.polymdegradstab.2010.05.017}, author = {More, Arvind S. and Sane, Prakash S. and Patil, Anandrao S. and Wadgaonkar, Prakash P.} } @article { ISI:000278744500055, title = {Synthesis and characterization of nanocrystalline zinc substituted nickel ferrites}, journal = {Journal of Alloys and Compounds}, volume = {496}, number = {1-2}, year = {2010}, month = {APR}, pages = {256-260}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Nanocrystalline zinc substituted nickel ferrites, Ni(1-x)Zn(x)Fe(2)O(4) (0.0 \<= x \<= 1.0) have been prepared by citrate gel auto-combustion method. The effect of zinc ion content on structural, electrical transport and magnetic properties has been studied. The X-ray diffraction (XRD) pattern revealed that, all the compositions possess single-phase spinel structure. The nano-sized grain structure formation was confirmed by transmission electron microscopy (TEM). The dc electrical resistivity shows the samples are semiconducting in nature. The magnetic measurements showed that the composition Ni(0.6)Zn(0.4)Fe(2)O(4) has maximum saturation magnetization (M(s)) while high coersivity (Hc) for ZnFe(2)O(4). Thermoelectric power measurement study showed that the compounds, with x \<= 0.4 are p-type and for x \> 0.4 behaves n-type conduction mechanism. (C) 2010 Published by Elsevier B.V.

}, keywords = {Electron microscopy, Magnetic, Sintering, X-ray diffraction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2010.01.009}, author = {Hankare, P. P. and Sankpal, U. B. and Patil, R. P. and Mulla, Imtiaz S. and Sasikala, R. and Tripathi, A. K. and Garadkar, K. M.} } @article { ISI:000276790500011, title = {Synthesis and characterization of new aromatic polyesters containing cardo decahydronaphthalene groups}, journal = {European Polymer Journal}, volume = {46}, number = {4}, year = {2010}, month = {APR}, pages = {709-718}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Three cardo bisphenols containing decahydronaphthalene group viz., 4,4{\textquoteright}-(octahydro-2(1H)-naphthylidene)bisphenol, 4,4{\textquoteright}-(octahydro-2(1H)-naphthylidene)bis-3-methylphenol and 4,4{\textquoteright}-(octahydro-2(1H)-naphthylidene)bis-3,5-dimethylphenol were synthesized starting from commercially available 2-naphthol and were utilized for synthesis of new aromatic polyesters by phase transfer-catalyzed interfacial polycondensation with isophthaloyl chloride, terephthaloyl chloride and a mixture of isophthaloyl chloride and terephthaloyl chloride (50:50 mol \%). Inherent viscosities and number average molecular weights (M(n)) of polyesters were in the range 0.35-0.84 dL/g and 13300-48,500 (Gel Permeation Chromatography, polystyrene standard), respectively. Polyesters were readily soluble in organic solvents such as dichloromethane, chloroform, tetrahydrofuran, meta-cresol, pyridine, N,N-dimethylformamide, N,N-dimethylacetamide, and 1-methy1-2-pyrrolidinone at room temperature and could be cast into tough, transparent and flexible films from their chloroform solutions. Wide-angle X-ray diffraction measurements revealed the amorphous nature of polyesters. The glass transition temperature of polyesters was in the range 207-287 degrees C. The temperature at 10\% weight loss (T(10)), determined from thermogravimetric analysis of polyesters, was in the range 425-460 degrees C indicating their good thermal stability. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {bisphenol, Cardo, Decahydronaphthalene, polyester, Structure-property relationship}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2009.12.028}, author = {Honkhambe, Pandurang N. and Bhairamadgi, Nagendra S. and Biyani, Mahesh V. and Wadgaonkar, Prakash P. and Salunkhe, Manikrao M.} } @article { ISI:000279996500008, title = {Synthesis and characterization of new aromatic polyesters containing pendent naphthyl units}, journal = {Journal of Applied Polymer Science}, volume = {117}, number = {5}, year = {2010}, month = {SEP}, pages = {2545-2552}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Two bisphenols, viz., 4,4{\textquoteright}-[1-(2-naphthaleny-1)ethylidene]bisphenol and 4,4{\textquoteright}-[1-(2-naphthalenyl) ethylidene]bis-3-methylphenol were prepared by condensation of commercially available 2-acetonaphthanone with phenol and o-cresol, respectively. A series of new aromatic polyesters containing pendent naphthyl units was synthesized by phase-transfer-catalyzed interfacial polycondensation of these bisphenols with isophthaloyl chloride, terephthaloyl chloride, and a mixture of isophthaloyl chlorideiterephthaloyl chloride (50 : 50 mol \%). Inherent viscosities of polyesters were in the range 0.83-1.76 dL g(-1), while number average molecular weights (M(n)) were in the range 61,000-235,000 g mol(-1). Polyesters were readily soluble in organic solvents such as dichloromethane, chloroform, tetrahydrofuran, m-cresol, pyridine, N,N-dimethylformamide, N,N-dimethylacetarnide, and 1-methyl-2-pyrrolidinone at room temperature. Tough, transparent, and flexible films were cast from a solution of polyesters in chloroform. X-Ray diffraction measurements displayed a broad halo at 20 congruent to 19 degrees indicating the amorphous nature of polyesters. Glass transition temperatures of polyesters were in the range 209-259 degrees C. The temperature at 10\% weight loss (T(10)), determined by TGA in nitrogen atmosphere, of polyesters was in the range 435-500 degrees C indicating their good thermal stability. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 117: 2545-2552, 2010

}, keywords = {Aromatic polyesters, bisphenol, interfacial polycondensation, pendent naphthyl units}, issn = {0021-8995}, doi = {10.1002/app.32162}, author = {Honkhambe, Pandurang N. and Biyani, Mahesh V. and Bhairamadgi, Nagendra S. and Wadgaonkar, Prakash P. and Salunkhe, Manikrao M.} } @article { ISI:000278307300018, title = {Synthesis and characterization of novel aromatic-aliphatic polyamides from bis-[(4-aminobenzyl)-4-benzamide] ether}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {168}, number = {1-3, SI}, year = {2010}, note = {Conference on Specialty Advanced Materials and Polymers for Aerospace and Defense and Applications (SAMPADA-2008), Mat Res Soc Singapore, Singapore, SINGAPORE, JUL 03-08, 2005}, month = {APR}, pages = {111-116}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A novel aromatic diamine monomer containing preformed aromatic-aliphatic amide and ether linkage, bis-[(4-aminobenzyl)-4-benzamide] ether (BABE) was prepared from 2-phenylacetonitrile. BABE was characterized by FT-IR, (1)H NMR, (13)C NMR and mass spectrometry. Five new aromatic polyamides were prepared by low temperature solution polymerization from BABE and different mole proportions of isophthaloyl chloride (IPC) or terephthaloyl chloride (TPC). The resulting polymers were characterized by means of FT-IR, inherent viscosity [eta(inh)], solubility, differential scanning calorimetry [DSC], thermogravimetric analysis [TGA] and X-ray diffraction [XRD]. Polyamides were obtained in good yields and had moderate to high molecular weights as indicated by inherent viscosities in the range 0.63-1.35 dL/g in (DMAc + 4\% LiCl). XRD results showed the partly crystalline nature of polymers and these polymers dissolved in aprotic polar solvents containing LiCl. The solubility of copolyamides improved due to random placement of constituent IPC and TPC during polymerization. DSC analysis of these polyamides showed glass transition temperatures in the range of 197-204 degrees C, and they showed no weight loss below 336 degrees C when analyzed by TG. These polyamides have potential applications as engineering materials. (C) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Bis-[(4-aminobenzyl)-4-benzamide] ether, ether linkage, Inherent viscosity, polyamides, thermal stability, XRD}, issn = {0921-5107}, doi = {10.1016/j.mseb.2009.10.016}, author = {Patil, A. S. and Medhi, M. and Sadavarte, Nilakshi V. and Wadgaonkar, P. P. and Maldar, Noormahamad N.} } @article {42651, title = {Synthesis and characterization of novel value added biodegradable poly(aleuritic acid) from renewable resources(shellac) and invertible amphiphilic behaviors in various solvents}, journal = {E-Polymer}, year = {2010}, month = {NOV}, pages = {Article Number: 131}, abstract = {

A novel biodegradable polymer poly(aleuritic acid) (PAA) ( M̄w 120,000) was prepared from aleuritic acid, which was obtained from renewable resources (Lac) by using tin catalyst. Aleuritic acid (AL) was protected at 9, 10 position by dimethoxy propane. The protected AL (Pro.AL) was further polymerized to obtain linear protected polyaleuritic acid (PAL) by dehydropolycondensation. Effects of various kinetic and thermodynamic parameters were studied. After polymerization, the deprotection of PAL was carried out. The synthesized PAL and PAA were characterized by using various techniques such as FT-IR, LC-MS, SEC, NMR (1H and 13C), 13C CP/MAS (Cross Polarization / Magic Angle Spinning) of solid PAA, DSC, SEM and TEM etc. The micelle and inverted micelle -structure in polar and nonpolar solvents are highlighted

}, doi = {10.1515/epoly.2010.10.1.1476}, author = {Pandey, Asutosh K. and Nande, Smita S. and Selukar, Balaji S. and Garnaik, Baijayantimala} } @article { ISI:000283124800028, title = {Synthesis of bio-compatible SPION-based aqueous ferrofluids and evaluation of radiofrequency power loss for magnetic hyperthermia}, journal = {Nanoscale Research Letters}, volume = {5}, number = {10}, year = {2010}, month = {OCT}, pages = {1706-1711}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Bio-compatible magnetic fluids having high saturation magnetization find immense applications in various biomedical fields. Aqueous ferrofluids of superparamagnetic iron oxide nanoparticles with narrow size distribution, high shelf life and good stability is realized by controlled chemical co-precipitation process. The crystal structure is verified by X-ray diffraction technique. Particle sizes are evaluated by employing Transmission electron microscopy. Room temperature and low-temperature magnetic measurements were carried out with Superconducting Quantum Interference Device. The fluid exhibits good magnetic response even at very high dilution (6.28 mg/cc). This is an advantage for biomedical applications, since only a small amount of iron is to be metabolised by body organs. Magnetic field induced transmission measurements carried out at photon energy of diode laser (670 nm) exhibited excellent linear dichroism. Based on the structural and magnetic measurements, the power loss for the magnetic nanoparticles under study is evaluated over a range of radiofrequencies.

}, keywords = {Magnetic heating, Magnetic hyperthermia, Magnetic relaxation, Power loss, Superparamagnetism}, issn = {1931-7573}, doi = {10.1007/s11671-010-9729-4}, author = {Mary, Antony P. Reena and Narayanan, T. N. and Sunny, Vijutha and Sakthikumar, D. and Yoshida, Yasuhiko and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000277119800027, title = {Synthesis of hydrophilic and amphiphilic acryl sucrose monomers and their copolymerisation with styrene, methylmethacrylate and alpha- and beta-pinenes}, journal = {International Journal of Molecular Sciences}, volume = {11}, number = {4}, year = {2010}, month = {APR}, pages = {1792-1807}, publisher = {MDPI AG}, address = {POSTFACH, CH-4005 BASEL, SWITZERLAND}, abstract = {

Herein, we report the synthesis of monomethacryloyl sucrose esters, and their successful free radical homo- and co-polymerisation with styrene, methylmethacrylate, alpha- and beta-pinene. The chemical, physical, structural and surface chemical properties of these polymers, containing a hydrophobic olefin backbone and hydrophilic sugar moieties as side chains, have been investigated. Biodegradation tests of the copolymer samples by a microbial fungal culture (Aspergillus niger) method showed good biodegradability. The chemical structure and surface chemistry of the synthesized homo- and co-polymers demonstrate their potential technological relevance as amphiphilic and biodegradable polymers.

}, keywords = {Biodegradable copolymers, Biodegradation culture test, free radical copolymerization, Vinyl sucrose ester monomers}, issn = {1422-0067}, doi = {10.3390/ijms11041792}, author = {Barros, Maria Teresa and Petrova, Krasimira T. and Singh, Raj P.} } @article { ISI:000280514500009, title = {Synthesis of Rh-carbon nanotube based heterostructures and their enhanced field emission characteristics}, journal = {Chemical Communications}, volume = {46}, number = {31}, year = {2010}, month = {JUL}, pages = {5671-5673}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Selective decoration of Rh nanospheres on acid functionalized carbon nanotubes has been demonstrated using Al as a sacrificial substrate. Remarkable field emission has been observed for this heterostructure as a high current density of 170 mu A cm(-2) is generated at an ultra-low threshold of 300 V mu m(-1), compared to much smaller values for Rh nanospheres and carbon nanotubes separately.

}, issn = {1359-7345}, doi = {10.1039/c0cc01532f}, author = {Sathe, Bhaskar R. and Kakade, Bhalchandra A. and Kushwaha, Ajay and Aslam, Mohammed and Pillai, Vijayamohanan K.} } @article { ISI:000282259600001, title = {Systems approach to investigating host-pathogen interactions in infections with the biothreat agent Francisella. constraints-based model of Francisella tularensis}, journal = {BMC Systems Biology}, volume = {4}, year = {2010}, month = {AUG}, pages = {118}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: Francisella tularensis is a prototypic example of a pathogen for which few experimental datasets exist, but for which copious high-throughout data are becoming available because of its re-emerging significance as biothreat agent. The virulence of Francisella tularensis depends on its growth capabilities within a defined environmental niche of the host cell. Results: We reconstructed the metabolism of Francisella as a stoichiometric matrix. This systems biology approach demonstrated that changes in carbohydrate utilization and amino acid metabolism play a pivotal role in growth, acid resistance, and energy homeostasis during infection with Francisella. We also show how varying the expression of certain metabolic genes in different environments efficiently controls the metabolic capacity of F. tularensis. Selective gene-expression analysis showed modulation of sugar catabolism by switching from oxidative metabolism (TCA cycle) in the initial stages of infection to fatty acid oxidation and gluconeogenesis later on. Computational analysis with constraints derived from experimental data revealed a limited set of metabolic genes that are operational during infection. Conclusions: This integrated systems approach provides an important tool to understand the pathogenesis of an ill-characterized biothreat agent and to identify potential novel drug targets when rapid target identification is required should such microbes be intentionally released or become epidemic.

}, issn = {1752-0509}, doi = {10.1186/1752-0509-4-118}, author = {Raghunathan, Anu and Shin, Sookil and Daefler, Simon} } @article { ISI:000279851200004, title = {Template assisted highly ordered novel self assembly of micro-reservoirs and its replication}, journal = {Lab on a Chip}, volume = {10}, number = {15}, year = {2010}, month = {JAN}, pages = {1902-1906}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel method is developed for template assisted fabrication of a regular assembly of microcavity arrays. Simple micropatterns on PDMS mold are used to create complex geometries via solvent vapor back pressure in a biodegradable polymer. Cavities are in turn replicated in complimentary PDMS mushroom like microstructures.

}, issn = {1473-0197}, doi = {10.1039/c004576d}, author = {Hire, Santosh L. and Shelke, Manjusha V. and Kale, Vinayak S. and Galopin, Elisabeth and Kulkarni, Mohan G. and Boukherroub, Rabah and Ogale, Satishchandra B.} } @article { ISI:000277203500017, title = {Template-assisted synthesis and characterization of passivated nickel nanoparticles}, journal = {Nanoscale Research Letters}, volume = {5}, number = {5}, year = {2010}, month = {MAY}, pages = {889-897}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Potential applications of nickel nanoparticles demand the synthesis of self-protected nickel nanoparticles by different synthesis techniques. A novel and simple technique for the synthesis of self-protected nickel nanoparticles is realized by the inter-matrix synthesis of nickel nanoparticles by cation exchange reduction in two types of resins. Two different polymer templates namely strongly acidic cation exchange resins and weakly acidic cation exchange resins provided with cation exchange sites which can anchor metal cations by the ion exchange process are used. The nickel ions which are held at the cation exchange sites by ion fixation can be subsequently reduced to metal nanoparticles by using sodium borohydride as the reducing agent. The composites are cycled repeating the loading reduction cycle involved in the synthesis procedure. X-Ray Diffraction, Scanning Electron Microscopy, Transmission Electron microscopy, Energy Dispersive Spectrum, and Inductively Coupled Plasma Analysis are effectively utilized to investigate the different structural characteristics of the nanocomposites. The hysteresis loop parameters namely saturation magnetization and coercivity are measured using Vibrating Sample Magnetometer. The thermomagnetization study is also conducted to evaluate the Curie temperature values of the composites. The effect of cycling on the structural and magnetic characteristics of the two composites are dealt in detail. A comparison between the different characteristics of the two nanocomposites is also provided.

}, keywords = {Nickel nanoparticles, Polymer-metal nanocomposites, Strongly acidic cation exchange resin, Stuctural and magnetic properties, Weakly acidic cation exchange resin}, issn = {1556-276X}, doi = {10.1007/s11671-010-9580-7}, author = {Gopalan, E. Veena and Malini, K. A. and Santhoshkumar, G. and Narayanan, T. N. and Joy, Pattayil Alias and Al-Omari, I. A. and Kumar, D. Sakthi and Yoshida, Yasuhiko and Anantharaman, Maliemadom R.} } @article { ISI:000282128700005, title = {Tensile properties, cell adhesion, and drug release behavior of chitosan-silver-gelatin nanohybrid films and scaffolds}, journal = {Macromolecular Research}, volume = {18}, number = {9}, year = {2010}, month = {SEP}, pages = {845-852}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Drug-loaded nanohybrid films and porous scaffolds were prepared using chitosan, Ag nanoparticles and gelatin using a solution casting and freeze-drying method, respectively. Gelatin was used to incorporate the cell onto the surface of the scaffolds and the nanohybrid films. 1-[2-hydroxyethyl]-2-methyl-5-nitroimidazole) (Metronidazole (MTZ) was used as a model drug. The small percentage of Ag nanoparticles in the nanohybrid films and scaffolds produced significantly higher cell proliferation and levels of drug release. The tensile properties showed improvement in strength by Ag nanoparticles reinforcement at the expense of elongation.

}, keywords = {carcinogenic metronidazole, cell proliferation, chitosan-Ag-gelatin nanohybrids, drug release, nano-hybrids, scaffolds}, issn = {1598-5032}, doi = {10.1007/s13233-010-0905-2}, author = {Rana, V. K. and Kushwaha, Omkar S. and Singh, RajPal and Mishra, Satyendra and Ha, Chang-Sik} } @article { ISI:000275328000070, title = {Thermal conductivity measurement of polyglycol alkyl ethers at temperatures from (303.15 to 393.15) K}, journal = {Journal of Chemical and Engineering Data}, volume = {55}, number = {3}, year = {2010}, month = {MAR}, pages = {1449-1452}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Experimental Values of the thermal conductivity of five pure polyglycol alkyl ethers are presented in a temperature range from (303.15 to 393.15) K at a pressure of 1 MPa. Measurements were made with a Setaram C-80 II calorimetric device equipped with a suitable vessel Setup and ail auxiliary thermostat to measure at high-temperature conditions using the steady-state coaxial cylinders method. The measured values of the thermal conductivity were compared with data reported in the literature. The reliability and accuracy of the experimental method were confirmed with the measurements on pure benzene with well-known thermal conductivity values. Our data agreed with the limited data available in the literature and were correlated using an empirical expression. The Uncertainty of the results was estimated to be within 2.0 \%, and the reproducibility of the data was better than +/- 0.5 \%.

}, issn = {0021-9568}, doi = {10.1021/je900641w}, author = {Salavera, Daniel and Patil, Kashinath R. and Coronas, Alberto} } @article { ISI:000278725100017, title = {Transesterification of cyclic carbonates to dimethyl carbonate using solid oxide catalyst at ambient conditions: environmentally benign synthesis}, journal = {Chemsuschem}, volume = {3}, number = {5}, year = {2010}, month = {MAY}, pages = {575-578}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, keywords = {calcium, environmental chemistry, heterogeneous catalysis, transesterification zinc}, issn = {1864-5631}, doi = {10.1002/cssc.201000038}, author = {Sankar, Meenakshisundaram and Satav, Srikanth and Manikandan, Palanichamy} } @article { ISI:000281996100013, title = {Transformation of chemically fine tuned zeolite A precursor into dense lithium aluminosilicates - a comprehensive phase evolution and sintering study}, journal = {Microporous and Mesoporous Materials}, volume = {135}, number = {1-3}, year = {2010}, month = {NOV}, pages = {82-89}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Beyond their conventional revelation as catalysts, zeolites are being perceived as more challenging materials for modern applications. Thermal recrystallization of zeolite precursors is an efficient method for the preparation of dense aluminosilicate ceramics. However, factors viz., nature of the precursor and the way of firing it etc., influence the product quality. The present report is a systematic and detailed account of a phase transformation of Li modified zeolite A precursor using powder X-ray diffraction (PXRD), thermogravimetry (TG), differential thermal analysis (DTA), scanning electron micrographs (SEM), atomic absorption spectroscopy (MS), energy dispersive X-ray (EDX) and density measurement techniques. It involves an amorphisation followed by a recrystallization into lithium aluminosilicate (LAS). A comprehensive correlation of PXRD, TG/DTA, SEM, EDX and density data explains the complexity of high temperature phase transition (25-1200 degrees C). A qualitative phase analysis revealed the mediation of formation of LAS ceramic, beta-spodumene by few satellite transitions of SiO(2). (C) 2010 Elsevier Inc. All rights reserved.

}, keywords = {LAS silicate, Phase evolution, Phase transformation, Powder XRD, zeolite}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2010.06.014}, author = {Selvaraj, Kaliaperumal} } @article { ISI:000276061200012, title = {Ultrasound-triggered release of ibuprofen from a chitosan-mesoporous silica composite - a novel approach for controlled drug release}, journal = {Macromolecular Symposia}, volume = {287}, year = {2010}, note = {4th International Symposium on Macro-and Supramolecular Architectures and Materials, Dusseldorf, GERMANY, SEP 07-11, 2008}, month = {JAN}, pages = {80-88}, publisher = {Int Union Pure \& Appl Chem; German Res Fdn}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

In this work, an attempt was made to synthesize a novel Chitosan-Mesoporous silica (CS-MS) hybrid composite to design a drug delivery system based on ultrasound triggered stimuli-responsive smart release. The in-vitro drug release properties of both the Mesoporous Silica (MS) and Chitosan (CS) hybrids were investigated. Ibuprofen (Ibu) was used as a model drug. The results from powder X-Ray diffraction (XRD) patterns, and BET N(2) adsorption isotherms exhibited that MS can accommodate drug molecules into the lumen of the channels and pores. Drug release, stimulated by temperature and pH of the release media was also investigated. We studied the Ultrasound (US) triggered release of Ibu in a simulated body fluid (pH 7.4). The results exhibited that US can be used as a non-invasive technique for drug release from polymeric materials. The enhancing effect of ultrasound on drug release is due to the Cavitation effect, without causing any significant destruction on the polymer morphology.

}, keywords = {Chitosan, drug delivery systems, ibuprofen, Mesoporous silica, Ultrasound}, issn = {1022-1360}, doi = {10.1002/masy.201050111}, author = {Depan, Dilip and Saikia, Lakshi and Singh, Raj Pal} } @article { ISI:000293064700010, title = {Uncatalyzed synthesis of thiomorpholide using polyethylene glycol as green reaction media}, journal = {Green Chemistry Letters and Reviews}, volume = {3}, number = {4}, year = {2010}, month = {DEC}, pages = {315-318}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Polyethylene glycol-600 was used as an efficient and recyclable solvent for the one-pot three component condensation reactions of aryl alkyl ketones, sulfur, and morpholine to produce the corresponding thiomorpholide. This protocol has advantages of high yields, short reaction times, mild reaction conditions, minimal environmental pollution, and simple work up procedure. [GRAPHICS] .

}, keywords = {polyethylene glycol-600, Sulfur, thiomorpholide, Willgerodt-Kindler reaction}, issn = {1751-8253}, doi = {10.1080/17518253.2010.486772}, author = {Gawande, Shrikant S. and Bandgar, Babasaheb P. and Kadam, Prasad D. and Sable, Shailesh S.} } @article { ISI:000274869900014, title = {Vanadia-titania thin films for photocatalytic degradation of formaldehyde in sunlight}, journal = {Applied Catalysis A-General}, volume = {374}, number = {1-2}, year = {2010}, month = {FEB}, pages = {103-109}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Thin films of vanadia-titania with good adhesion to the substrates have been deposited on various substrates such as glass slides, glass helix and silica raschig rings by simple sol-gel dip coating process using vanadium and titanium peroxide gel. The optimum concentration of vanadia in titania for obtaining good uniform viscous gel was found to be 0.5-4 wt\% beyond which the vanadia particles disturb the gel network, resulting in the formation of a gelatinous precipitate. The films of vanadia-titania as well as the dried powder of the bulk gel were characterized by different characterization techniques. Optical characterization by UV-vis spectrophotometer showed a shift in optical absorption wavelength to the visible region that may be due to the incorporation of vanadia into titania structure. The XRD revealed the formation of anatase phase in pure titania as well as titania with up to 2\% vanadia loading, whereas formation of rutile as minor phase along with anatase as major phase was observed at higher vanadia loading. The XRD did not show any peaks of vanadia phase up to 5\% vanadia loading indicating either incorporation of vanadia into titania structure or high dispersion of amorphous vanadia on titania support. The pure and vanadia doped TiO(2) thin films were evaluated for their photocatalytic activity for degradation of methylene blue as a model pollutant under sunlight. Doping Of V(2)O(5) in TiO(2) showed an increase in the photo-degradation rate of methylene blue by a factor of 3-6.6 times compared to pure TiO(2). The highest rate has been obtained for 4\% V(2)O(5)-doped TiO(2) films. Vanadia doped TiO(2) thin films were also found to be very active for photocatalytic degradation of formaldehyde from aqueous solution in sunlight. (c) 2009 Elsevier B.V. All rights reserved.

}, keywords = {Formaldehyde, Methylene blue, Photocatalysis, Sunlight, Thin films, V(2)O(5)/TiO(2)}, issn = {0926-860X}, doi = {10.1016/j.apcata.2009.11.035}, author = {Akbarzadeh, Rokhsareh and Shubhangi B. Umbarkar and Sonawane, Ravindra S. and Takle, Srikant and Dongare, Mohan K.} } @article { ISI:000273709900033, title = {Vice to virtue: intracellular biogenic nanoparticles for the generation of carbon supported catalysts}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {10}, number = {2}, year = {2010}, month = {FEB}, pages = {905-911}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Intracellular biogenic nanoparticles are considered disadvantageous as the separation of the nanoparticles from the biomass becomes intricate. However realizing the importance of carbon supported catalyst for many important organic reactions we envisaged these nanoparticles as a source for carbon supported catalyst. Herein we demonstrate the heat treatment of intracellular biogenic nanoparticles under inert atmosphere as an efficient method for the preparation of carbon supported metal oxide catalysts. Aspergillus ochraceus, a fungus isolated from foundries, on incubation with K(2)TiF(6) led to the synthesis of intracellular titanium oxide nanoparticles. The nanoparticles embedded biomass upon heat treatment at 600 degrees C in a nitrogen environment gave titanium oxide nanoparticles implanted in a carbonaceous matrix. The material thus formed was characterized using FTIR spectroscopy, Raman spectroscopy, HRTEM and X-ray diffraction. Appreciable benzaldehyde selectivity was observed when styrene oxidation was carried out over such immobilized catalysts. The conversion rate was determined to be 76\% and the benzaldehyde selectivity was greater than 80\%.

}, keywords = {Benzaldehyde Selectivity, Biosynthesis, Carbon Supported Titania, Nanoparticles, Styrene Oxidation}, issn = {1533-4880}, doi = {10.1166/jnn.2010.1894}, author = {Vijayakumar, P. S. and Selvakumar, S. and Gholap, Ramkrishna S. and Singh, A. P. and Bhagavatula L. V. Prasad} } @article { ISI:000277649500046, title = {Volume transition of PNIPAM in a nonionic surfactant hexagonal mesophase}, journal = {Macromolecules}, volume = {43}, number = {10}, year = {2010}, month = {MAY}, pages = {4782-4790}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We investigate the volume transition of a thermoresponsive polymer, poly(N-isopropylacrylamide), PNIPAM, in the presence of an aqueous solution of nonionic surfactant, C(12)E(9). We combine turbidimetry with optical microscopy, NMR, and SAXS to follow the volume transition of the PNIPAM and the H(1)-isotropic transition of the surfactant/water system. Nonionic surfactants such as C(12)E(9) are known to interact weakly with PNIPAM. Accordingly, we show that there is only a small change in the volume transition temperature for the PNIPAM in isotropic micellar solutions of C(12)E(9), even for relatively high concentrations of C(12)E(9). Interestingly, once the surfactant forms an H(1) phase, there is a dramatic decrease in the coil globule transition onset temperature. We believe that this behavior results from a competition between C(12)E(9) in the H(1) phase, and PNIPAM to associate with water. When PNIPAM in the H(1) phase is cooled to low enough temperatures so as to be in the coil state, it locally disturbs the hexagonal phase ordering. Thus, we show that for PNIPAM in a weakly interacting surfactant matrix, it is the phase behavior of the matrix rather than the matrix chemistry that governs the coil globule transition. Finally, we show that in a PNIPAM copolymer with a higher LCST we observe an interesting sequence of transitions in the surfactant phase: on cooling from a high temperature free-blowing turbid globular state (similar to 75 degrees C), we enter a free-flowing translucent coil phase (similar to 47 degrees C), then a turbid gel (similar to 25 degrees C) where the copolymer is collapsed in the HI phase, and finally a low-temperature clear gel (similar to 5 degrees C) where the copolymer is in the expanded coil state.

}, issn = {0024-9297}, doi = {10.1021/ma100357h}, author = {Jijo, V. J. and Sharma, Kamendra P. and Mathew, Renny and Kamble, Samruddhi and Rajamohanan, P. R. and Ajithkumar, Thalasseril G. and Badiger, Manohar V. and Kumaraswamy, Guruswamy} } @article { ISI:000284555600009, title = {Water-induced switching of beta-structure to polyproline II conformation in the 4s-aminoproline polypeptide via H-bond rearrangement}, journal = {Organic Letters}, volume = {12}, number = {23}, year = {2010}, month = {DEC}, pages = {5390-5393}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

4S-Aminoproline polypeptide 2 forms unusual beta-structure in trifluoroethanol that switches to the polyproline II (PPII) form in aqueous medium. while 4R-aminoproline peptide 1 retains PPII form in both solvents. This first instance of a polyproline derivative showing a beta-structure is attributed to competitive pH-dependent (4-NH3+/NH2) stereoelectronic effect (4R vs 4S) and the overriding importance of stercospecific intra/intermolecular H-bonding in (2,4)-cis-4S-aminoproline in contrast to (2,4)-trans-4R-aminoproline oligomers.

}, issn = {1523-7060}, doi = {10.1021/ol1021993}, author = {Sonar, Mahesh V. and Ganesh, Krishna N.} } @article { ISI:000295615400016, title = {1,8-Bis(4-methoxy-3-nitrophenyl)naphthalene}, journal = {Acta Crystallographica Section E-Structure Reports Online}, volume = {67}, number = {10}, year = {2011}, month = {OCT}, pages = {O2630+}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Molecules of the title compound, C(24)H(18)N(2)O(6), are located on a twofold rotation axis passing through through the central C-C bond of the naphthalene ring system. The molecular conformation is characterized by a roughly coplanar arrangement of the two substituted phenyl rings [dihedral angle 18.53 (5)degrees]. These two aryl rings are each twisted by 65.40 (5)degrees from the plane of the naphthyl unit.

}, issn = {1600-5368}, doi = {10.1107/S1600536811036567}, author = {Prabhakaran, Panchami and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI:000287163800020, title = {Ab initio calculations of the geometry and polarizabilities of bisphenyls having aliphatic substituents}, journal = {International Journal of Quantum Chemistry}, volume = {111}, number = {5}, year = {2011}, month = {APR}, pages = {1092-1100}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Ab initio geometry optimization and polarizability calculations of a series of bisphenyls, which are the model compounds of chemically different polycarbonates using HF/6-31G and 6-31G** basis sets are presented. Calculated absolute value of the conformationally averaged optical anisotropy () of diphenyl propane, a model analog of bisphenol A polycarbonate, is higher than the corresponding experimental value in the dilute solution phase. The calculations have reproduced the relative trend in the optical anisotropy for the different bisphenyl model compounds in a manner similar to those using semiclassical approach, by incorporation of the condensed phase polarizabilities and quantum chemically calculated geometry structure into the valence optical scheme. Individual contributions to the gas phase polarizability and optical anisotropy of the model compounds for various dihedral conformers, because of the presence of different aliphatic chemical groups, are correctly predicted by the calculations here. (C) 2010 Wiley Periodicals, Inc. Int J Quantum Chem 111: 1092-1100, 2011

}, keywords = {ab initio, bisphenyl, optical anisotropy, polarizability, Polycarbonate, structure}, issn = {0020-7608}, doi = {10.1002/qua.22687}, author = {Sulatha, M. S. and Natarajan, U.} } @article { ISI:000291436600019, title = {Alginic acid-g-poly(N-vinylformamide) graft copolymer: synthesis, characerization, swelling, and flocculation property}, journal = {Journal of Applied Polymer Science}, volume = {121}, number = {3}, year = {2011}, month = {AUG}, pages = {1400-1407}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The graft copolymer of N-vinylformamide with alginic acid was synthesized by free radical polymerization using potassium peroxymonosulphate and thiourea as redox pair in inert atmosphere. The optimum conditions for maximum grafting have been determined by varying the concentrations of N-vinylformamide, potassium peroxymonosulphate, thiourea, sulfuric acid, alginic acid as well as time duration and temperature. The grafting parameters increase up to the certain concentrations of N-vinylformamide, potassium peroxymonosulhate, thiourea, and hydrogen ion while thereafter grafting parameters decrease. The effect of alginic acid concentration on grafting parameters has been observed to decrease continuously. It has also been found that grafting parameters increase up to certain time and temperature, respectively, and thereafter decrease. The swelling properties of graft copolymer in terms of swelling ratio and percent swelling are investigated. Flocculation property of pure and grafted sample for both coking and noncoking coals is also investigated for the treatment of coal mine waste water. The graft copolymer has been characterized by Fourier transform infrared spectroscopy as well as thermogravimetic analysis. (C) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 121: 1400-1407, 2011

}, keywords = {alginic acid, flocculation, Graft copolymer, N-vinylformamide, swelling}, issn = {0021-8995}, doi = {10.1002/app.33540}, author = {Sand, Arpit and Yadav, Mithilesh and Mishra, Dinesh Kumar and Behari, Kunj} } @article { ISI:000292212700020, title = {Alkylation of anisole with 1-hexene and 1-hexanol over zeolite H-beta}, journal = {Reaction Kinetics Mechanisms and Catalysis}, volume = {103}, number = {2}, year = {2011}, month = {AUG}, pages = {481-491}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

An examination of the kinetics of the alkylation of anisole with 1-hexene and 1-hexanol to produce alkylates over zeolite H-beta is presented. Anisole alkylation is found to occur by a set of parallel reactions when hexene is used as the alkylating agent. When hexyl alcohol is the alkylating agent, the reaction follows a multi-step parallel-series mechanism to form monoalkylates and dihexylether. With 1-hexene, a group of isomeric alkylates, viz., ortho-2-hexyl anisole (2-OHA), ortho-3-hexyl anisole (3-OHA), para-2-hexyl anisole (2-PHA), and para-3-hexyl anisole (3-PHA) was obtained. With hexanol, the olefin (hexene) and dihexyl ether were obtained additionally. The influence of process parameters like temperature, catalyst quantity, and alkylating agent on reaction behavior is reported.

}, keywords = {Alkylation, Anisole, H-beta, Hexene, Hexyl alcohol}, issn = {1878-5190}, doi = {10.1007/s11144-011-0310-7}, author = {Surse, P. V. and Wagholikar, S. and Mayadevi, S. and Sivasanker, S.} } @article {42715, title = {Alkynyl and phosphonyl substituted nucleobases: a case of thermally induced conformational polymorphism}, journal = {Crystal Growth \& Design}, volume = {11}, year = {2011}, month = {APR}, pages = {2302{\textendash}2310}, abstract = {

Substituted nucleobases with alkynyl and phosphonyl groups were investigated in the context of supramolecular interactions and possible use toward synthesis of nucleoside phosphonic acids (NPAs). The adeninyl compound (adeninyl-N-9)-CH2CH2CH2CH2C=CH exhibits conformational polymorphism as revealed by X-ray structures determined at 200 and 298 K. Interestingly, in the compound (adeninyl-N-9)-(CH2)15CH3, the long aliphatic carbon chain does not show disorder. A rather unusual bending of alkyl chain, likely due to C{\textendash}H{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}O interactions, is observed in the case of the thymine compound (thyminyl)-CH2CH2CH2C=CH that possesses a terminal alkyne group. The powerful hydrogen bond acceptor property of the phosphoryl oxygen (P=O) does not perturb (unless assisted by other hydrogen bonding partners) the homo base-pairing in the structures of most of the phosphonyl substituted nucleobases studied.

}, doi = {10.1021/cg101737x}, author = {Swamy, K. C. Kumara and Allu, Srinivasarao and Srinivas, Venu and Balaraman, Ekambaram and Kumar, K. V. P. Pavan} } @article { ISI:000294572800023, title = {Antifungal activity of novel synthetic peptides by accumulation of reactive oxygen species (ROS) and disruption of cell wall against Candida albicans}, journal = {Peptides}, volume = {32}, number = {8}, year = {2011}, month = {AUG}, pages = {1732-1740}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

In the present work, we investigated the antifungal activity of two de novo designed, antimicrobial peptides VS2 and VS3, incorporating unnatural amino acid alpha,beta-dehydrophenylalanine (Delta Phe). We observed that the low-hemolytic peptides could irreversibly inhibit the growth of various Candida species and multidrug resistance strains at MIC(80) values ranging from 15.62 mu M to 250 mu M. Synergy experiments showed that MIC(80) of the peptides was drastically reduced in combination with an antifungal drug fluconazole. The dye PI uptake assay was used to demonstrate peptide induced cell membrane permeabilization. Intracellular localization of the FITC-labeled peptides in Candida albicans was studied by confocal microscopy and FACS. Killing kinetics, PI uptake assay, and the intracellular presence of FITC-peptides suggested that growth inhibition is not solely a consequence of increased membrane permeabilization. We showed that entry of the peptide in Candida cells resulted in accumulation of reactive oxygen species (ROS) leading to cell necrosis. Morphological alteration in Candida cells caused by the peptides was visualized by electron microscopy. We propose that de novo designed VS2 and VS3 peptides have multiple detrimental effects on target fungi, which ultimately result in cell wall disruption and killing. Therefore, these peptides represent a good template for further design and development as antifungal agents. (C) 2011 Elsevier Inc. All rights reserved.

}, keywords = {Antifungal peptides, Candida albicans, Cell wall, ROS}, issn = {0196-9781}, doi = {10.1016/j.peptides.2011.06.003}, author = {Maurya, Indresh Kumar and Pathak, Sarika and Sharma, Monika and Sanwal, Hina and Chaudhary, Preeti and Tupe, Santosh and Deshpande, Mukund V. and Chauhan, Virander Singh and Prasad, Rajendra} } @article { ISI:000293087200006, title = {Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone}, journal = {New Journal of Chemistry}, volume = {35}, number = {8}, year = {2011}, month = {MAY}, pages = {1615-1623}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Crystal engineering based on halogen bonding together with host-guest interactions of water molecules via H-bonding, stabilizing supramolecular architecture in chloro 1, bromo 2 and iodo 3 oximes of lawsone, is discussed. 1 and 2 crystallize in orthorhombic, non-centrosymmetric space group Pna2(1) while 3 crystallizes in monoclinic P2(1)/n space group. Non-covalent competitive interactions of asymmetric solvation and halogen bonding can have a large influence on the spin distribution in 1, 2 and 3 derivatives of spin carrier lawsone live polymer as revealed by single crystal X-ray and EPR studies. The significant C3-Cl/Br center dot center dot center dot O, C3-Cl/Br center dot center dot center dot H, O-H center dot center dot center dot O-C, C-H center dot center dot center dot pi and pi center dot center dot center dot pi interactions have been identified in the molecular assemblies leading to net magnetostructures of halo-oximes. Dimer-of-dimer-type tetrameric radical assembly of 3 and interacting bi- and monoradical chain on 2(1) axis in 1 and 2 have been identified. The proton-coupled electron transfers possibly govern the antioxidant nature in halooximes of spin carrier lawsone in terms of oxygen reduction to water molecules. Such activity is found to be directly proportional to the spin (radical) concentrations in 1 to 3 and increases in order 1 \< 2 \< 3 according to halogen bonding effect. The antioxidant chemical DPPH assays for scavenging of such free radicals result in similar trend of increasing order like 1 \< 2 \< 3, but the chemical in vitro as well as ex vivo SOD antioxidant activities and biological anticancer activity on MCF-7, Hela and HL-60 cell lines show the increasing order 3 \< 2 \< 1 according to H-bonding effect. This probably could be attributed to the conversion of superoxide radical ions into H(2)O(2), which leads to greater oxidative stress leading to apoptosis.

}, issn = {1144-0546}, doi = {10.1039/c1nj20176j}, author = {Zaware, Santosh B. and Gonnade, Rajesh G. and Srinivas, Darbha and Khan, Ayesha A. and Rane, Sandhya Y.} } @article { ISI:000292893300014, title = {Assembly of polyethyleneimine in the hexagonal mesophase of nonionic surfactant: effect of pH and temperature}, journal = {Journal of Physical Chemistry B}, volume = {115}, number = {29}, year = {2011}, month = {JUL}, pages = {9059-9069}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We investigate the dispersion of a pH responsive polymer, polyethyleneimine, PEI, in a hexagonal (H(1)) mesophase of a nonionic surfactant, C(12)E(9), and water, at pH ranging from basic (pH = 12.8) to acidic (pH = 1). While the C(12)E(9)/H(2)O phase behavior is independent of pH, we demonstrate that, in the PEI/C(12)E(9)/H(2)O system, changing the pH influences PEI-C(12)E(9) interactions, and thus, influences the isotropic-H(1) phase transition. With decrease in pH, there is increasing protonation of the PEI chain, and consequently, the chain extends. We show, using a combination of SAXs, optical microscopy and visual experiments, that the inclusion of PEI in a 1:1 surfactant water mixture, lowers the hexagonal-isotropic transition temperature, T. At higher pH = 12.8 T(HI) shows a pronounced decrease from SO to 13 degrees C on addition of PEI, and the PEI/C(12)E(9)/H(2)O system forms a transparent gel. At pH = 1, we observe qualitatively different behavior and an opaque gel forms below T(HI)= 25 degrees C. The isotropic-H(1) transition, in turn, influences the phase separation of PEI chains from the C(12)E(9)/H(2)O system. 2D NMR ROESY data provides evidence that there are strong surfactant PEI interactions at high pH that significantly reduce at lower pH. The NMR data is in accord with molecular dynamics simulations that show that surfactants strongly aggregate with unprotonated PEI chains, but not with fully protonated chains; thus, in this system, the pH controls a cascade of microstructural organization: increasing pH decreases chain protonation and increases polymer-surfactant interactions, resulting in suppression of the isotropic-H(1) transition to lower temperatures, thus, influencing the phase separation of PEI from the surfactant/water system.

}, issn = {1520-6106}, doi = {10.1021/jp202614x}, author = {Sharma, Kamendra P. and Choudhury, Chandan Kumar and Srivastava, Sonal and Davis, Hilda C. and Rajamohanan, P. R. and Roy, Sudip and Kumaraswamy, Guruswamy} } @article { ISI:000296414700021, title = {Assimilatory potential of helicoverpa armigera reared on host (chickpea) and nonhost (cassia tora) diets}, journal = {Journal of Proteome Research}, volume = {10}, number = {11}, year = {2011}, month = {NOV}, pages = {5128-5138}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Adaptation to plant allelochemicals is a crucial aspect of herbivore chemical ecology. To understand an insect ecology, we studied an effect of nonhost Cassia tora seed-based diet (Ct) on growth, development, and molecular responses in Helicoverpa armigera. We employed a comparative approach to investigate the proteomic differences in gut, hemolymph, and frass of H. armigera reared on a normal (chickpea seed-based, Cp) and Ct diet. In this study, a total of 46 proteins were identified by nano-LC-MS(E). Among them, 17 proteins were up-regulated and 29 proteins were down-regulated when larvae were exposed to the Ct diet. Database searches combined with GO analysis revealed that gut proteases engrossed in digestion, proteins crucial for immunity, adaptive responses to stress, and detoxification were down-regulated in the Ct fed larvae. Proteins identified in H. armigera hemolymph were found to be involved in defense mechanisms. Moreover, proteins found in frass of the Ct fed larvae were observed to participate in energy metabolism. Biochemical and quantitative real-time PCR analysis of selected candidate proteins showed differential gene expression patterns and corroborated with the proteomic data. Our results suggest that the Ct diet could alter expression of proteins related to digestion, absorption of nutrients, adaptation, defense mechanisms, and energy metabolism in H. armigera.

}, keywords = {adaptation, Cassia tora, Gene expression, Helicoverpa armigera, proteomics}, issn = {1535-3893}, doi = {10.1021/pr200591m}, author = {Dawkar, Vishal V. and Chikate, Yojana R. and Gupta, Vidya S. and Slade, Susan E. and Giri, Ashok P.} } @article { ISI:000295113200015, title = {Asymmetric dihydroxylation route to (-)-bulgecinine}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {11}, year = {2011}, month = {JUN}, pages = {1234-1238}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The stereoselective synthesis of (-)-bulgecinine is reported from L-aspartic acid using Sharpless asymmetric dihydroxylation and intramolecular cyclization via nucleophilic displacement of alpha-tosylate as key steps. (C) 2011 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2011.06.018}, author = {Show, Krishanu and Upadhyay, Puspesh K. and Kumar, Pradeep} } @article { ISI:000292333103041, title = {Atomic level description of the domain closure in a dimeric enzyme: thermus thermophilus 3-isopropylmalate dehydrogenase (IPMDH)}, journal = {FEBS Journal}, volume = {278}, number = {1, SI}, year = {2011}, note = {36th FEBS Congress of the Biochemistry for Tomorrows Medicine, Torino, ITALY, JUN 25-30, 2011}, month = {JUN}, pages = {458}, publisher = {Federat Soc Biochem \& Mol Biol}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, issn = {1742-464X}, author = {Graczer, E. and Merli, Angelo and Singh, R. K. and Karuppasamy, Manikandan and Zavodszky, P. and Weiss, M. S. and Vas, M.} } @article { ISI:000289367200026, title = {Atomic level description of the domain closure in a dimeric enzyme: thermus thermophilus 3-isopropylmalate dehydrogenase}, journal = {Molecular Biosystems}, volume = {7}, number = {5}, year = {2011}, month = {MAR}, pages = {1646-1659}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The domain closure associated with the catalytic cycle is described at an atomic level, based on pairwise comparison of the X-ray structures of homodimeric Thermus thermophilus isopropylmalate dehydrogenase (IPMDH), and on their detailed molecular graphical analysis. The structures of the apo-form without substrate and in complex with the divalent metal-ion to 1.8 angstrom resolution, in complexes with both Mn(2+) and 3-isopropylmalate (IPM), as well as with both Mn(2+) and NADH, were determined at resolutions ranging from 2.0 to 2.5 angstrom. Single crystal microspectrophotometric measurements demonstrated the presence of a functionally competent protein conformation in the crystal grown in the presence of Mn(2+) and IPM. Structural comparison of the various complexes clearly revealed the relative movement of the two domains within each subunit and allowed the identification of two hinges at the interdomain region: hinge 1 between alpha d and beta F as well as hinge 2 between alpha h and beta E. A detailed analysis of the atomic contacts of the conserved amino acid side-chains suggests a possible operational mechanism of these molecular hinges upon the action of the substrates. The interactions of the protein with Mn(2+) and IPM are mainly responsible for the domain closure: upon binding into the cleft of the interdomain region, the substrate IPM induces a relative movement of the secondary structural elements beta E, beta F, beta G, alpha d and alpha h. A further special feature of the conformational change is the movement of the loop bearing the amino acid Tyr139 that precedes the interacting arm of the subunit. The tyrosyl ring rotates and moves by at least 5 angstrom upon IPM-binding. Thereby, new hydrophobic interactions are formed above the buried isopropyl-group of IPM. Domain closure is then completed only through subunit interactions: a loop of one subunit that is inserted into the interdomain cavity of the other subunit extends the area with the hydrophobic interactions, providing an example of the cooperativity between interdomain and intersubunit interactions.

}, issn = {1742-206X}, doi = {10.1039/c0mb00346h}, author = {Graczer, Eva and Merli, Angelo and Singh, Rajesh Kumar and Karuppasamy, Manikandan and Zavodszky, Peter and Weiss, Manfred S. and Vas, Maria} } @article {42570, title = {Auxin signaling and transport promote susceptibility to the root-infecting fungal pathogen fusarium oxysporum in arabidopsis}, journal = {Molecular Plant-Microbe Interactions}, volume = {24}, year = {2011}, month = {JUN}, pages = {733-748}, doi = {10.1094/MPMI-08-10-0194}, author = {Kidd, Brendan N. and Kadoo, Narendra Y. and Dombrecht, Bruno and Tekeoglu, Muecella and Gardiner, Donald M. and Thatcher, Louise F. and Aitken, Elizabeth A. B. and Schenk, Peer M. and Manners, John M. and Kazan, Kemal} } @article { ISI:000299148200039, title = {Azide derivatized anticancer agents of vitamin K-3: X-ray structural, DSC, resonance spectral and API studies}, journal = {Journal of Molecular Structure}, volume = {1006}, number = {1-3}, year = {2011}, month = {DEC}, pages = {288-296}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Compound 1 [1-imino (acetyl hydrazino)-Vitamin K-3], displays valence tautomerically related electronic isomers as Form land Form II. Form I exhibits 2D packing fragment with 1D ribbon chains of N-H center dot center dot center dot O hydrogen bonds and shows EPR silent features. While Form II is EPR active and exhibits biradical nature with double quantum transitions at g = 2.0040. H-1 NMR of compound 2, [1-imino (hydrazino carboxylate)-Vitamin K-3] and Form II exhibit pi delocalization via resonance assisted H-bonding [RAHB] effect compared to Form I. Molecular interactions in Form I and II are visualized by DSC. The electronic structures of compounds 1 and 2 have been correlated to their API values by measuring anticancer activities, mitochondrial potentials and DNA shearing patterns. Form II and compound 2 indicate mitochondria mediated apoptosis (similar to 75\% cell death) while Form I causes 35\% cell death. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Anticancer agents, API (Active Pharmaceutical Ingredients), Electronic isomers, RAHB (resonance assisted H-bonding), Vitamin K-3}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2011.09.022}, author = {Badave, Kirti D. and Patil, Yogesh and Gonnade, Rajesh G. and Srinivas, Darbha and Dasgupta, Rajan and Khan, Ayesha A. and Rane, Sandhya} } @article { ISI:000295890100006, title = {Bicyclic amino acid-carbohydrate-conjugates as conformationally restricted hydroxyethylamine (HEA) transition-state isosteres}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {21}, year = {2011}, month = {SEP}, pages = {7300-7302}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes a general synthetic route to bicyclic amino acid-carbohydrate-conjugates, which would be useful as conformationally restricted hydroxyethylamine (HEA) transition-state isosteres. The synthesis was achieved in 12 steps starting from D-glucose. The striking features of this system are the bicyclic rigid core displaying an a-amino acid side chain and hydroxyethylamine moiety - both of which would be potentially important for receptor interactions, leading to various biomedical responses, as described in the literature. Crystal structure investigation suggested extensive intermolecular hydrogen-bonding interactions in this system, involving the backbone amide and hydroxyl groups.

}, issn = {1477-0520}, doi = {10.1039/c1ob06215h}, author = {Kale, Sangram S. and Chavan, Sanjay T. and Sabharwal, Sushma G. and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI:000293587300003, title = {Biocompatible gellan gum-reduced gold nanoparticles: cellular uptake and subacute oral toxicity studies}, journal = {Journal of Applied Toxicology}, volume = {31}, number = {5}, year = {2011}, month = {JUL}, pages = {411-420}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Currently gold nanoparticles are being explored for drug delivery and other biomedical applications; therefore it is necessary to study the fate of such nanoparticles inside the body. The objective of the present study was to investigate the cellular uptake and toxicity of the gold nanoparticles synthesized using a microbial polysaccharide, gellan gum, as a capping and reducing agent. The cellular uptake of gold nanoparticles was studied on mouse embryonic fibroblast cells, NIH3T3 and human glioma cell line, LN-229. The cellular uptake study indicated that the gellan gum-reduced gold nanoparticles were located in cancer cells (LN-229) while no uptake was observed in normal mouse embryonic fibroblast cells (NIH3T3). The toxicity of the gold nanoparticles was evaluated by carrying out subacute 28 day oral toxicity studies in rats. Subacute administration of gum-reduced gold nanoparticles to the rats did not show any hematological or biochemical abnormalities. The weight and normal architecture of various organs did not change compared with control. The current findings, while establishing the specific uptake of nanoparticles into cancerous cells, also demonstrates that the gellan gum-reduced gold nanoparticles are devoid of toxicity in animals following oral administration. Copyright (c) 2010 John Wiley \& Sons, Ltd.

}, keywords = {cell lines, cellular uptake, Gellan gum, gold nanoparticles, subacute toxicity}, issn = {0260-437X}, doi = {10.1002/jat.1595}, author = {Dhar, Sheetal and Mali, Vishal and Bodhankar, Subhash L. and Shiras, Anjali and Bhagavatula L. V. Prasad and Pokharkar, Varsha} } @article { ISI:000293288500001, title = {Biodiesel production from vegetable oils and animal fat over solid acid double-metal cyanide catalysts}, journal = {Catalysis Surveys from Asia}, volume = {15}, number = {3}, year = {2011}, month = {SEP}, pages = {145-160}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Biodiesel comprises of fatty acid alkyl esters prepared from vegetable oils or animal fat by esterification/transesterification with short-chain alcohols (methanol or ethanol, for example). It is a biodegradable renewable fuel. Its production is growing exponentially due to greater concerns about environmental protection and depletion of fossil fuel resources. Further, its production from non-edible oils and animal fat is more desirable than from edible oils due to lower cost of non-edible feedstocks and elimination of food verses fuel issues. Solid acid catalysts are ideal for conversion of such low-grade oils to biodiesel. Biodiesel from non-edible oils can be produced by two methods: (1) simultaneous esterification of fatty acids and transesterification of fatty acid glycerides and (2) hydrolysis of glycerides followed by esterification. This account reports the catalytic performance of solid, Fe-Zn double-metal cyanide (DMC) complexes and other acid catalysts in these transformations for biodiesel production. The factors influencing the catalytic performance of the solid acid catalysts in biodiesel production are discussed.

}, keywords = {Biodiesel, Double-metal cyanide, Esterification, Hydrolysis, solid acid catalysts, transesterification}, issn = {1571-1013}, doi = {10.1007/s10563-010-9108-2}, author = {Srinivas, Darbha and Satyarthi, Jitendra K.} } @article { ISI:000294678600026, title = {Biogenic synthesis of silver nanoparticles using nicotiana tobaccum leaf extract and study of their antibacterial effect}, journal = {African Journal of Biotechnology}, volume = {10}, number = {41}, year = {2011}, month = {AUG}, pages = {8122-8130}, publisher = {ACADEMIC JOURNALS}, address = {P O BOX 5170-00200 NAIROBI, VICTORIA ISLAND, LAGOS 73023, NIGERIA}, abstract = {

A green synthesis of silver nanoparticle was carried out using tobacco leaf extract. Synthesized nanoparticles were characterized using UV-Vis absorption spectroscopy, TEM, EDAX, FT-IR and photoluminescence study, respectively. UV-Vis absorption spectroscopy of prepared silver colloidal solution showed absorption maxima at 418 nm. Excitation maximum and emission maximum obtained from photoluminescence study were found at 414 and 576 nm, respectively. TEM analysis showed average particle size of 8 nm, while SAED pattern confirmed the crystalline nature of synthesized nanoparticles. FT-IR analysis indicated the involvement of carboxyl (-C = O), hydroxyl (-OH) and amine (-NH) functional groups of tobacco leaf extract in preparation of silver nanoparticles. EDAX analysis showed proportion of silver (54.55\%) among other elements in nanoparticle. Pseudomonas aeruginosa and Escherichia coli DH5 alpha showed highest sensitivity towards silver nanoparticles.

}, keywords = {FT-IR spectroscopy, photoluminescence, silver nanoparticles, Tobacco, UV-Vis absorption}, issn = {1684-5315}, author = {Prasad, Kumar Suranjit and Pathak, Darshit and Patel, Ankita and Dalwadi, Palak and Prasad, Ram and Patel, Pradip and Selvaraj, Kaliaperumal} } @article {42767, title = {Bioresponsive mesoporous silica nanoparticles for triggered drug release}, journal = {Journal of the Americal Chemical Society}, volume = {133}, year = {2011}, month = {DEC}, pages = {19582-19585}, doi = {10.1021/ja206998x}, author = {Singh, Neetu and Karambelkar, Amrita and Gu, Luo and Lin, Kevin and Miller, Jordan S. and Chen, Christopher S. and Sailor, Michael J. and Bhatia, Sangeeta N.} } @article {42530, title = {Borazine as a sensor for fluoride ion: a computational and experimental study}, journal = {Tetrahedron Letters}, volume = {52}, year = {2011}, month = {MAY}, pages = {3636{\textendash}3639}, abstract = {

The computational and experimental studies have revealed that even simple molecule like borazine can act as a sensor for fluoride ions. This study further reported the various binding modes of analytes using quantum chemical calculations and the nature of such interactions have been examined using electron density surface analysis. Total charge transfer analysis (qCT) correlates well with the binding affinities of analytes with the borazine receptor.

}, doi = {10.1016/j.tetlet.2011.05.018}, author = {Kesharwani, Manoj K. and Suresh, Moorthy and Das, Amitava and Ganguly, Bishwajit} } @article {42745, title = {Catalytic dehydroaromatization of n-alkanes by pincer-ligated iridium complexes}, journal = {Nature Chemistry}, volume = {3}, year = {2011}, month = {DEC}, pages = {167{\textendash}171}, abstract = {

Aromatic hydrocarbons are among the most important building blocks in the chemical industry. Benzene, toluene and xylenes are obtained from the high temperature thermolysis of alkanes. Higher alkylaromatics are generally derived from arene{\textendash}olefin coupling, which gives branched products{\textemdash}that is, secondary alkyl arenes{\textemdash}with olefins higher than ethylene. The dehydrogenation of acyclic alkanes to give alkylaromatics can be achieved using heterogeneous catalysts at high temperatures, but with low yields and low selectivity. We present here the first catalytic conversion of n-alkanes to alkylaromatics using homogeneous or molecular catalysts{\textemdash}specifically {\textquoteleft}pincer{\textquoteright}-ligated iridium complexes{\textemdash}and olefinic hydrogen acceptors. For example, the reaction of n-octane affords up to 86\% yield of aromatic product, primarily o-xylene and secondarily ethylbenzene. In the case of n-decane and n-dodecane, the resulting alkylarenes are exclusively unbranched (that is, n-alkyl-substituted), with selectivity for the corresponding o-(n-alkyl)toluene.

}, doi = {10.1038/nchem.946}, author = {Ahuja, Ritu and Punji, Benudhar and Findlater, Michael and Supplee, Carolyn and Schinski, William and Brookhart, Maurice and Goldman, Alan S.} } @article { ISI:000291194800039, title = {Characterisation of copolymer, poly (hydroxybutyrate-co-hydroxyvalerate) (PHB-co-PHV) produced by halomonas campisalis (MCM B-1027), its biodegradability and potential application}, journal = {Bioresource Technology}, volume = {102}, number = {11}, year = {2011}, month = {JUN}, pages = {6625-6628}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Characterisation of polyhydroxyalkanoate (PHA) film produced by haloalkalitolerant Halomonas campisalis (MCM B-1027) in 14 L SS fermenter revealed it to have composition of monomer units, HB:HV as 96:4 as analysed by (1)H NMR indicating the PHA as a co-polymer of PHB-co-PHV, molecular weight by gel permeation chromatography as 2.08 x 10(6), melting temperature 166.51 degrees C, tensile strength 18.8 MPa; two relaxations namely beta transition corresponding to the glass rubber transition and alpha transition corresponding to crystalline relaxation by Dynamic Mechanical Thermal analysis and only one relaxation corresponding to MWS interfacial polarisation with activation energy of 129 kJ/mol by broadband dielectric spectroscopy. Optical microscopic studies showed typical Maltese-cross pattern of spherulites. The PHA film was found to be biodegradable by standard ASTM method as well as by soil burial method. The leak proof polymer bags prepared from the film could be used as a packaging material. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Biodegradable polymer, Copolymer PHB-co-PHV, Dielectric relaxation spectroscopy, Dynamic mechanical analysis, Halomonas}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.03.054}, author = {Kulkarni, Snehal O. and Kanekar, Pradnya P. and Jog, Jyoti Prakash and Patil, Prashant A. and Nilegaonkar, Smita S. and Sarnaik, Seema S. and Kshirsagar, Pranav R.} } @article { ISI:000284150200042, title = {Classification of Indian power coals using K-means clustering and self organizing map neural network}, journal = {Fuel}, volume = {90}, number = {1}, year = {2011}, month = {JAN}, pages = {339-347}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The present study reports results of the classification of Indian coals used in thermal power stations across India. For classifying these power coals a classical unsupervised clustering technique, namely {\textquoteleft}{\textquoteleft}K-Means Clustering{\textquoteright}{\textquoteright} and an artificial intelligence (AI) based nonlinear clustering formalism known as {\textquoteleft}{\textquoteleft}Self-Organizing Map (SOM){\textquoteright}{\textquoteright} have been used for the first time. To conduct the said classification, five coal descriptor variables namely moisture, ash, volatile matter, carbon and gross calorific value (GCV) have been used. The classification results thereof indicate that Indian power coals from different geographical origins can be classified optimally into seven classes. It has also been found that the K-means and SOM based classification results exhibit similarity in close to 75\% coal samples. Further, K-means and SOM based seven coal categories have been compared with as many grades of a commonly employed Useful Heat Value (UHV) based Indian non-coking coal grading system. Here, it was observed that a number of UHV-based grades exhibit similarity with the categories identified by the K-means and SOM methods. The classification of Indian power coals as provided here can be gainfully used in selecting application-specific coals as also in their grading and pricing. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Coal classification, Indian power coals, K-means clustering, Self-Organizing Map}, issn = {0016-2361}, doi = {10.1016/j.fuel.2010.09.012}, author = {Pandit, Yogesh P. and Badhe, Yogesh P. and Sharma, B. K. and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @article { ISI:000297606200009, title = {Comparative and chemical proteomic approaches reveal gatifloxacin deregulates enzymes involved in glucose metabolism}, journal = {Journal of Toxicological Sciences}, volume = {36}, number = {6}, year = {2011}, month = {DEC}, pages = {787-796}, publisher = {JAPANESE SOC TOXICOLOGICAL SCIENCES}, address = {INTERNATIONAL MEDICAL INFORMATION CENTER, SHINANOMACHI RENGAKAN, 35 SHINANO-MACHI, SHINJUKU-KU, TOKYO, 160-0016, JAPAN}, abstract = {

Gatifloxacin has been associated with increased risks of hypoglycemic and hyperglycemic side effects. In order to understand the molecular mechanism of gatifloxacin induced deregulation of glucose metabolism, a Combination of comparative and chemical proteomic approaches were employed using yeast as a model system. Differential protein expression studies using two dimensional electrophoresis and mass spectrometry reveal that gatifloxacin deregulates the expression of key enzymes involved in glucose metabolism. Furthermore, affinity chromatography and LC-MSE analysis led to identification of enolase, as one of the key gatifloxacin binding proteins. Fluorescence spectrometric studies confirmed that the gatifloxacin indeed binds to enolase. Role of enolase in regulation of gatifloxacin induced dysglycemic effect is discussed.

}, keywords = {antibiotics, Differential protein expression, Fluoroquinolone, Glycolysis, Yeast}, issn = {0388-1350}, doi = {10.2131/jts.36.787}, author = {Suresh, Kesavan K. and Bhosale, Santosh D. and Thulasiram, Hirekodathakallu V. and Kulkarni, Mahesh J.} } @article { ISI:000292722900032, title = {Comparative behavior of CdS and CdSe quantum dots in poly (3-hexylthiophene) based nanocomposites (vol 41, pg 198, 2006)}, journal = {Materials Research Bulletin}, volume = {46}, number = {8}, year = {2011}, month = {AUG}, pages = {1321}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2011.04.020}, author = {Sonar, Prashant and Sreenivasan, K. P. and Maddanimath, Trupti and Vijayamohanan, K.} } @article {43255, title = {Comparative genomics of the pathogenic ciliate Ichthyophthirius multifiliis, its free-living relatives and a host species provide insights into adoption of a parasitic lifestyle and prospects for disease control}, journal = {Genome Biology}, volume = {12}, year = {2011}, month = {OCT}, pages = {Article Number: R100}, abstract = {Background: Ichthyophthirius multifiliis, commonly known as Ich, is a highly pathogenic ciliate responsible for {\textquoteright}white spot{\textquoteright}, a disease causing significant economic losses to the global aquaculture industry. Options for disease control are extremely limited, and Ich{\textquoteright}s obligate parasitic lifestyle makes experimental studies challenging. Unlike most well-studied protozoan parasites, Ich belongs to a phylum composed primarily of free-living members. Indeed, it is closely related to the model organism Tetrahymena thermophila. Genomic studies represent a promising strategy to reduce the impact of this disease and to understand the evolutionary transition to parasitism. Results: We report the sequencing, assembly and annotation of the Ich macronuclear genome. Compared with its free-living relative T. thermophila, the Ich genome is reduced approximately two-fold in length and gene density and three-fold in gene content. We analyzed in detail several gene classes with diverse functions in behavior, cellular function and host immunogenicity, including protein kinases, membrane transporters, proteases, surface antigens and cytoskeletal components and regulators. We also mapped by orthology Ich{\textquoteright}s metabolic pathways in comparison with other ciliates and a potential host organism, the zebrafish Danio rerio. Conclusions: Knowledge of the complete protein-coding and metabolic potential of Ich opens avenues for rational testing of therapeutic drugs that target functions essential to this parasite but not to its fish hosts. Also, a catalog of surface protein-encoding genes will facilitate development of more effective vaccines. The potential to use T. thermophila as a surrogate model offers promise toward controlling {\textquoteright}white spot{\textquoteright} disease and understanding the adaptation to a parasitic lifestyle.}, doi = {10.1186/gb-2011-12-10-r100}, author = {Coyne, Robert S. and Hannick, Linda and Shanmugam, Dhanasekaran and Hostetler, Jessica B. and Brami, Daniel and Joardar, Vinita S. and Johnson, Justin and Radune, Diana and Singh, Irtisha and Badger, Jonathan H. and Kumar, Ujjwal and Saier, Milton and Wang, Yufeng and Cai, Hong and Gu, Jianying and Mather, Michael W. and Vaidya, Akhil B. and Wilkes, David E. and Rajagopalan, Vidyalakshmi and Asai, David J. and Pearson, Chad G. and Findly, Robert C. and Dickerson, Harry W. and Wu, Martin and Martens, Cindy and Van de Peer, Yves and Roos, David S. and Cassidy-Hanley, Donna M. and Clark, Theodore G.} } @article { ISI:000291194800029, title = {Comparative production of cellulases by mutants of penicillium janthinellum NCIM 1171 and its application in hydrolysis of avicel and cellulose}, journal = {Bioresource Technology}, volume = {102}, number = {11}, year = {2011}, month = {JUN}, pages = {6569-6572}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Mutants of Penicillium janthinellum NCIM 1171 were evaluated for cellulase production using both submerged fermentation (SmF) and solid state fermentation (SSF). Mutant EU2D-21 gave highest yields of cellulases in both SmF and SSF. Hydrolysis of Avicel and cellulose were compared using SmF and SSF derived enzyme preparations obtained from EU2D-21. Surprisingly, the use of SSF derived preparation gave less hydrolysis compared to SmF derived enzymes. This may be due to inactivation of beta-glucosidase at 50 degrees C in SSF derived enzyme preparations. SmF derived enzyme preparations contained both thermostable and thermosensitive beta-glucosidases where as SSF derived enzyme preparations contained predominantly thermosensitive beta-glucosidase. This is the first report on less thermostability of SSF derived p-glucosidase which is the main reason for getting less hydrolysis. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {beta-Glucosidase thermostability, Mutant EU2D-21, Solid state fermentation, Submerged fermentation}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.01.014}, author = {Singhvi, M. S. and Adsul, Mukund G. and Gokhale, D. V.} } @article { ISI:000296738500014, title = {Comparison of racemic epi-inosose and (-)-epi-inosose}, journal = {ACTA Crystallographica Section C-Crystal Structure Communications}, volume = {67}, number = {11}, year = {2011}, month = {NOV}, pages = {O435-O438}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The conversion of myo-inositol to epi-inositol can be achieved by the hydride reduction of an intermediate epi-inosose derived from myo-inositol. (-)-epi-Inosose, (I), crystallized in the monoclinic space group P2(1), with two independent molecules in the asymmetric unit [Hosomi et al. (2000). Acta Cryst. C56, e584-e585]. On the other hand, (2RS,3SR,5SR,6SR)epi-inosose, C6H10O6, (II), crystallized in the orthorhombic space group Pca2(1). Interestingly, the conformation of the molecules in the two structures is nearly the same, the only difference being the orientation of the C-3 and C-4 hydroxy H atoms. As a result, the molecular organization achieved mainly through strong O-H center dot center dot center dot O hydrogen bonding in the racemic and homochiral lattices is similar. The compound also follows Wallach{\textquoteright}s rule, in that the racemic crystals are denser than the optically active form.

}, issn = {0108-2701}, doi = {10.1107/S0108270111039412}, author = {Krishnaswamy, Shobhana and Patil, Madhuri T. and Shashidhar, Mysore S.} } @article {42538, title = {Competitive binding of Ba2+and Sr2+ to 18-crown-6 in a receptor with a 1-methoxyanthraquinone analogue as the other binding site}, journal = {Europian Journal of Inorganic Chemistry}, year = {2011}, month = {OCT}, pages = {4680{\textendash}4690}, abstract = {

Owing to their immense biological significance, development of sensors for the selective detection of alkaline earth metal ions has attracted vast research interest. In this article we have reported the synthesis, characterisation and ion binding studies of a new RuII-polypyridyl-crown-anthraquinone complex (5). Studies confirm selective binding of BaII, SrII and CaII ions, with Kmath image \> Kmath image \>\> Kmath image, over all other metal ions, to the crown ether moiety and not to the methoxy anthraquinone component, the latter being the second binding site available and known for its affinity towards alkaline earth metal ions from one of our previous reports.

}, doi = {10.1002/ejic.201100472}, author = {Banerjee, Tanmay and Suresh, Moorthy and Ghosh, Hirendra N. and Das, Amitava} } @article { ISI:000286862200021, title = {Concise enantioselective synthesis of (+)-goniodiol and (+)-8-methoxygoniodiol via Co-catalyzed HKR of anti-(2SR, 3RS)-3-methoxy-3-phenyl-1, 2-epoxypropane}, journal = {Tetrahedron Letters}, volume = {52}, number = {3}, year = {2011}, month = {JAN}, pages = {438-440}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short, enantioselective synthesis of (+)-goniodiol and (+)-8-methoxygoniodiol, cytotoxic styryllactones, has been achieved in high optical purities (99\% ee). The strategy employs Co-catalyzed HKR of racemic anti-(2SR, 3RS)-3-methoxy-3-phenyl-1,2-epoxypropane and Lewis acid-mediated diastereoselective allylation of aldehyde as chiral inducing key reactions. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Allylation, diastereoselectivity, Hydrolytic kinetic resolution, Racemic anti-epoxide, Styryllactones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2010.11.085}, author = {Kiran, I. N. Chaithanya and Reddy, R. Santhosh and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000293230300022, title = {Concurrent display of both alpha- and beta-turns in a model peptide}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {16}, year = {2011}, month = {MAY}, pages = {5762-5765}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This article describes a model peptide that concurrently displays both alpha- and beta-turns, as demonstrated by structural investigations using single crystal X-ray crystallography and solution-state NMR studies. The motif reported herein has the potential for the design of novel conformationally ordered synthetic oligomers with structural architectures distinct from those classically observed.

}, issn = {1477-0520}, doi = {10.1039/c1ob05553d}, author = {Srinivas, Deekonda and Vijayadas, Kuruppanthara N. and Gonnade, Rajesh G. and Phalgune, Usha D. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000291061500032, title = {Conformational transitions in ariesaema curvatum lectin: characterization of an acid induced active molten globule}, journal = {Journal of Fluorescence}, volume = {21}, number = {2}, year = {2011}, month = {MAR}, pages = {753-763}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Biophysical characterization of a lectin from Ariesaema curvatum (ACL) was carried out using steady state as well as time resolved fluorescence and CD spectroscopy under various denaturing conditions. An intermediate with altered tryptophan microenvironment was detected in the phase diagram, which exibited pronounced secondary structure and hemagglutinating activity in presence of 0.25 M Gdn-HCl. An acid induced molten- globule like structure possessing activity and higher thermostability was detected. Transition to the molten globule state was reversible in nature. The lectin retained hemagglutinating activity even after incubation at 95 A degrees C. Both chemical and thermal unfolding of the lectin were found to consist of multistate processes. Fluorescence quenching of ACL was strong with acrylamide and KI. The single tryptophan was found to be surrounded by high density of the positively charged amino acid residues as shown by a ten fold higher K(sv) for KI compared to that for CsCl. The average lifetime of tryptophan fluorescence increased from 1.24 ns in the native state to 1.72 ns in the denatured state.

}, keywords = {Araceae, Fluorescence lifetime, Hemagglutinin, Molten globule, Secondary structure, Thermostability, Unfolding}, issn = {1053-0509}, doi = {10.1007/s10895-010-0766-2}, author = {Sharma, Urvashi and Gaikwad, Sushama M. and Suresh, C. G. and Dhuna, Vikram and Singh, Jatinder and Kamboj, Sukhdev Singh} } @article { ISI:000285749800008, title = {Conformationally rigid aromatic amino acids as potential building blocks for abiotic foldamers}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {2}, year = {2011}, month = {NOV}, pages = {367-369}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the development of conformationally constrained unnatural aromatic amino acids, constructed on rigid backbone wherein the carboxyl and amino groups project in two dimensions (planes) on the aromatic framework. Such a feature offers the possibility of design and development of conformationally ordered synthetic oligomers with intriguing structural architectures distinct from those classically observed. Furthermore, such amino acids will have the potential to extend the conformational space available for foldamer design with diverse backbone conformation and structural architectures.

}, issn = {1477-0520}, doi = {10.1039/c0ob00593b}, author = {Ramesh, Veera V. E. and Roy, Arup and Vijayadas, Kuruppanthara N. and Kendhale, Amol M. and Prabhakaran, Panchami and Gonnade, Rajesh G. and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article {43237, title = {Correction to what drives the redox properties of model green fluorescence protein chromophores?}, journal = {Journal of Physical Chemistry Letters}, volume = {2}, year = {2011}, month = {OCT}, pages = {2695{\textendash}2695}, chapter = {q}, abstract = {

We report the first experimental determination of the oxidation potentials E-ox(0). (relative to the standard hydrogen electrode, SHE) of model green fluorescent protein (GFP) chromophores. Para-, meta, and ortho-hydroxy (4-hydroxybenzylidene-2,3-dimethylimidazolinone, HBDI) and methoxy (MeOBDI) derivatives were studied. E-ox(0) of the three isomers in acetonitrile are -1.31, -1.52, and -1.39 V, respectively. Electronic structure calculations reproduce the observed differences between the isomers and reveal that E-ox(0) follows the ionization energies (IEs), that is, p-MeOBDI has the lowest IE (6.96 eV in the gas phase) due to resonance stabilization of its cation, whereas the resonance is detuned in m-MeOBDL resulting in more-negative E-ox(0). The observed meta and ortho effects in E-ox(0) are similar to the trends in pK(a). The effect of increased solvent polarity on absolute.E-ox(0) (and especially on para-meta-ortho differences) was found to be small. The redox properties of GFP chromophores are driven by their structure and can be correlated with IEs, which can be exploited in predicting the properties of other fluorescent protein chromophores.

}, doi = {10.1021/jz201353v}, author = {Solntsev, Kyril M. and Ghosh, Debashree and Amador, Adrian and Josowicz, Mira and Krylov, Anna I.} } @article { ISI:000293403000001, title = {Crucial role of ocean-atmosphere coupling on the Indian monsoon anomalous response during dipole events}, journal = {Climate Dynamics}, volume = {37}, number = {1-2}, year = {2011}, month = {JUL}, pages = {1-17}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

This paper examines an issue concerning the simulation of anomalously wet Indian summer monsoons like 1994 which co-occurred with strong positive Indian Ocean Dipole (IOD) conditions in the tropical Indian Ocean. Contrary to observations it has been noticed that standalone atmospheric general circulation models (AGCM) forced with observed SST boundary condition, consistently depicted a decrease of the summer monsoon rainfall during 1994 over the Indian region. Given the ocean-atmosphere coupling during IOD events, we have examined whether the failure of standalone AGCM simulations in capturing wet Indian monsoons like 1994 can be remedied by including a simple form of coupling that allows the monsoon circulation to dynamically interact with the IOD anomalies. With this view, we have performed a suite of simulations by coupling an AGCM to a slab-ocean model with spatially varying mixed-layer-depth (MLD) specified from observations for the 1994 IOD; as well as four other cases (1983, 1997, 2006, 2007). The specification of spatially varying MLD from observations allows us to constrain the model to observed IOD conditions. It is seen that the inclusion of coupling significantly improves the large-scale circulation response by strengthening the monsoon cross-equatorial flow; leading to precipitation enhancement over the subcontinent and rainfall decrease over south-eastern tropical Indian Ocean-in a manner broadly consistent with observations. A plausible physical mechanism is suggested to explain the monsoonal response in the coupled frame-work. These results warrant the need for improved monsoon simulations with fully coupled models to be able to better capture the observed monsoon interannual variability.

}, keywords = {Anomalous wet Indian monsoons, Indian ocean dipole, Numerical simulation, Ocean-atmosphere coupling}, issn = {0930-7575}, doi = {10.1007/s00382-010-0830-2}, author = {Krishnan, R. and Sundaram, Suchithra and Swapna, P. and Kumar, Vinay and Ayantika, D. C. and Mujumdar, M.} } @article {42714, title = {Cyclodiphosph(III)azane chemistry {\textendash} ylides from the reaction of [(RNH)P-N(t-Bu)]2 [R = t-Bu, i-Pr] with dimethyl maleate and chiral ansa-type derivatives from reaction of [ClP-N(t-Bu)]2 with a substituted BINOL}, journal = {Inorganica Chimica Acta}, volume = {372}, year = {2011}, month = {JUN}, pages = {374{\textendash}382}, abstract = {

Use of a simple inorganic ring system with the cyclodiphosph(III)azane skeleton [e.g. [(RNH)P-N(t-Bu)]2 [R = t-Bu (7), i-Pr (8)] to probe some of the intermediates proposed in phosphine mediated organic reactions is highlighted. Thus the reaction of 7{\textendash}8 with the allenylphosphine oxide Ph2P(O)C(Ph)double bond; length as m-dashCdouble bond; length as m-dashCH2 (9) affords the phosphinimines [(RNH)P(μ-N-t-Bu)2P(double bond; length as m-dashN-R)-C(double bond; length as m-dashCH2)CH(Ph)-P(O)Ph2] [R = t-Bu (10), i-Pr (11)], while a similar reaction of 7{\textendash}8 with dimethyl maleate (or dimethyl fumarate) affords the ylides [(RNH)P(μ-N-t-Bu)2P(NH-R)double bond; length as m-dashC(CO2Me)-CH2(CO2Me) [R = t-Bu (18), i-Pr (19)]. The implication of such reactions on phosphine mediated organic transformations including Morita{\textendash}Baylis{\textendash}Hillman reaction is mentioned. In a rather rare type of situation, an unusually long phosphoryl (Pdouble bond; length as m-dashO) bond [1.538 (5) {\r A}] as revealed the X-ray structure of {(R)-6,6'-(t-Bu)2-1,1'-(C10H5)2-2,2'-O2-}{P(O)(N-t-Bu)2-P(Se)} (27) is rationalized by means of crystallographic disorder in packing after comparing the data with that in the literature and {1,1'-(C10H6)2-2,2'-O2}{P(Se)(N-t-Bu)2-P(Se)} (29). X-ray structures of the new compounds 10{\textendash}11, 18{\textendash}19, 27 and 29 are discussed. Compound 10 crystallizes in the chiral space group Pca2(1) with (S)-chirality at the carbon center [{\textendash}C(double bond; length as m-dashCH2)CH(Ph)-P] suggesting a case of spontaneous resolution through crystallization.

}, doi = {10.1016/j.ica.2010.12.072}, author = {Swamy, K.C. Kumara and Gangadhararao, G. and Srinivas, Venu and Kumar, N. N. Bhuvan and Balaraman, Ekambaram and Chakravarty, Manab} } @article { ISI:000290409100009, title = {Cyclopropyl methyl bromide-mediated gem-diallylation: total synthesis of (+/-)-alpha-cuparenone}, journal = {Synthetic Communications}, volume = {41}, number = {13}, year = {2011}, month = {JAN}, pages = {PII 937139047}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

[image omitted] The total synthesis of (+/-){\textendash}cuparenone, an aromatic sesquiterpene, has been described using the radical mediated gem-diallylation of substituted cyclopropyl methylbromide followed by ring-closing metathesis approach.

}, keywords = {Aromatic sesquiterpene, gem-diallylation, Ring-closing metathesis}, issn = {0039-7911}, doi = {10.1080/00397911.2010.494812}, author = {Shivakumar, I. and Salunke, Ganesh B. and Kumar, Suneel} } @article { ISI:000287363500022, title = {Cytotoxicity of sophorolipid-gellan gum-gold nanoparticle conjugates and their doxorubicin loaded derivatives towards human glioma and human glioma stem cell lines}, journal = {Nanoscale}, volume = {3}, number = {2}, year = {2011}, month = {JAN}, pages = {575-580}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Biocompatible gold nanoparticles were synthesized by using a naturally occurring gum-Gellan Gum-as a capping and reducing agent. These were further conjugated with sophorolipids which again were accessed through a biochemical transformation of a fatty acid. The cellular uptake of sophorolipid-conjugated gellan gum reduced gold nanoparticles and their cytotoxicity on human glioma cell line LN-229 and human glioma stem cell line HNGC-2 were investigated. Quite surprisingly even the simple sophorolipid-conjugated gellan gum reduced/capped gold nanoparticles showed greater efficacy in killing the glioma cell lines and, gratifyingly, the glioma stem cell lines also. The cytotoxic effects became more prominent once the anti cancer drug doxorubicin hydrochloride was also conjugated to these gold nanoparticles.

}, issn = {2040-3364}, doi = {10.1039/c0nr00598c}, author = {Dhar, Sheetal and Reddy, E. Maheswara and Prabhune, Asmita and Pokharkar, Varsha and Shiras, Anjali and Bhagavatula L. V. Prasad} } @article { ISI:000293637800009, title = {Degradation of tannic acid by cold-adapted klebsiella sp NACASA1 and phytotoxicity assessment of tannic acid and its degradation products}, journal = {Environmental Science and Pollution Research}, volume = {18}, number = {7}, year = {2011}, month = {AUG}, pages = {1129-1138}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

The focus of the present study is to know the potential of bacterial isolate for tannic acid degradation at low temperature. Also, we tried to evaluate the suitability of phytotoxicity testing protocol for the determination of tannic acid toxicity. Screening for tannic acid degrading bacterial strains was carried out by using microbial isolation techniques. The 16S rDNA amplicon of the isolate was used to identify the isolate. The effect of different concentrations of tannic acid and its degradation products on germination of Vigna unguiculata was evaluated. The study was carried out to determine total sugar and starch content of the used seeds and even to check the presence of alpha-amylase activity during seed germination. The isolated bacterium was identified as Klebsiella sp NACASA1 and it showed degradation of tannic acid in 40 (+/- 0.85***) h at 15A degrees C and pH 7.0. A gradual decrease in root/shoot length was observed with increasing concentration of tannic acid. There was 95.11 (+/- 0.24**)\% inhibition in alpha-amylase activity at 20,000 ppm tannic acid, as compared to control. No such effects were observed on germination, root-shoot length, and alpha-amylase activity with tannic acid degradation products. The results obtained confirmed that tannic acid may act as a toxic agent in plant cells. The simple biodegradation process presented in this study was found to be effective in reducing toxicity of tannic acid. Also, it reveals the potential of soil bacterium to degrade tannic acid at low temperature.

}, keywords = {Cold-adapted bacterium, Phytotoxicity, Tannic acid degradation}, issn = {0944-1344}, doi = {10.1007/s11356-011-0468-6}, author = {Jadhav, Umesh and Kadu, Sudhir and Thokal, Nilesh and Padul, Manohar and Dawkar, Vishal V. and Chougale, Ashok D. and Salve, Abhay and Patil, Manoj} } @article { ISI:000295275200035, title = {Design and in situ synthesis of a Cu-based porous framework featuring isolated double chain magnetic character}, journal = {Chemical Communications}, volume = {47}, number = {39}, year = {2011}, month = {SEP}, pages = {11008-11010}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A Cu-based double chain MOF was synthesized in hydrothermal conditions using an in situ ligand formation method. This double chain MOF shows temperature dependent ferromagnetic (long range ordering) and antiferromagnetic (intra double chain) coupling. The magnetic behaviour originating from the individual double chain remains almost same even after structural collapse due to the removal of guest water molecules.

}, issn = {1359-7345}, doi = {10.1039/c1cc13418c}, author = {Dey, Chandan and Das, Raja and Saha, Binoy Krishna and Poddar, Pankaj and Banerjee, Rahul} } @article { ISI:000288356300002, title = {Development of biocatalysts for production of commodity chemicals from lignocellulosic biomass}, journal = {Bioresource Technology}, volume = {102}, number = {6}, year = {2011}, month = {MAR}, pages = {4304-4312}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Lignocellulosic biomass is recognized as potential sustainable source for production of power, biofuels and variety of commodity chemicals which would potentially add economic value to biomass. Recalcitrance nature of biomass is largely responsible for the high cost of its conversion. Therefore, it is necessary to introduce some cost effective pretreatment processes to make the biomass polysaccharides easily amenable to enzymatic attack to release mixed fermentable sugars. Advancement in systemic biology can provide new tools for the development of such biocatalysts for sustainable production of commodity chemicals from biomass. Integration of functional genomics and system biology approaches may generate efficient microbial systems with new metabolic routes for production of commodity chemicals. This paper provides an overview of the challenges that are faced by the processes converting lignocellulosic biomass to commodity chemicals. The critical factors involved in engineering new microbial biocatalysts are also discussed with more emphasis on commodity chemicals. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Biomass utilization, Commodity chemicals, Ethanol, Lactic acid, Microbial cellulases}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.01.002}, author = {Adsul, Mukund G. and Singhvi, M. S. and Gaikaiwari, Shalaka A. and Gokhale, D. V.} } @article {42526, title = {Diamine derivative of a ruthenium(II)-polypyridyl complex for chemodosimetric detection of nitrite ion in aqueous solution}, journal = {Inorganica Chimica Acta}, volume = {372}, year = {2011}, month = {FEB}, pages = {115{\textendash}119}, abstract = {

Nitrite is quite an abundant anion in the environment. It, however, becomes toxic to human life, as well as aquatic animals when present above the permissible concentration level. We have reported here a Ru(II)-polypyridyl-based complex (1) for chemodosimetric detection of nitrite ion in aqueous solution. Formation of the new triazole based complex, generated by reaction of 1 and N2O3, is ascertained by comparing its properties with a presynthesised triazole complex.

}, doi = {10.1016/j.ica.2011.01.066}, author = {Ghosh, Amrita and Das, Priyadip and Saha, Sukdeb and Banerjee, Tanmay and Bhatt, Harshad B. and Das, Amitava} } @article { ISI:000290685100004, title = {Diastereoselective synthesis of 1,1,4-trisubstituted-2,3,4,9-tetrahydrospiro-beta-carbolines via glacial acetic acid catalyzed pictet - spengler reaction}, journal = {Arkivoc}, number = {2}, year = {2011}, month = {OCT}, pages = {41-56}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

The Pictet-Spengler reaction of substituted tryptamines with cyclic ketones using glacial acetic acid afforded only one diastereomer of unreported 1,1,4-trisubstituted-2,3,4,9-tetrahydrospiro-beta-carbolines. The stereoselectivity in the reaction has been demonstrated using unsymmetrical ketones and single-crystal X-ray analysis of one of the spiro products in the form of base, its sulfate and hydrochloride salts, which indicated the formation of only the R, R diastereomer.

}, keywords = {1, 3, 4, 4-Trisubstituted-2, 9-tetrahydrospiro-beta-carbolines, beta-substituted tryptamine, Diastereoselective Pictet-Spengler reaction, Glacial acetic acid}, issn = {1551-7004}, author = {Shumaila, Abdullah M. A. and Puranik, Vedavati G. and Kusurkar, Radhika S.} } @article { ISI:000290602100011, title = {Diastereoselective synthesis of tetrasubstituted-octahydro-3,6-diazacarbazoles and tetrasubstituted-3,6-diazacarbazoles via double Pictet-Spengler reaction}, journal = {Tetrahedron Letters}, volume = {52}, number = {21}, year = {2011}, month = {MAY}, pages = {2661-2663}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Pictet-Spengler condensation of 2,5-bis(2-phenyl-1-aminoethyl)pyrrole using glacial acetic acid afforded only one diastereomer of unreported tetrasubstituted-octahydro-3,6-diazacarbazoles. These were readily dehydrogenated to tetrasubstituted-3,6-diazacarbazoles. The stereoselectivity in the Pictet-Spengler reaction has been demonstrated using single crystal X-ray analysis. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {2, 5-Bis(2-phenyl-1-aminoethyl)pyrrole, 6-diazacarbazoles, Diasteroselective Pictet-Spengler reaction, Glacial acetic acid, Tetrasubstituted-3, Tetrasubstituted-octahydro-3}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.03.060}, author = {Shumaila, Abdullah M. A. and Puranik, Vedavati G. and Kusurkar, Radhika S.} } @article { ISI:000290493000005, title = {Differentiation-inducing ability of sophorolipids of oleic and linoleic acids using a glioma cell line}, journal = {Biotechnology Journal}, volume = {6}, number = {5, SI}, year = {2011}, month = {MAY}, pages = {509-512}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Sophorolipids are biosurfactants produced by non-pathogenic yeasts. They show structural similarity with the membrane components of mammalian cells, i.e., glycosphingolipids and gangliosides, which are involved in processes such as signaling, oncogenesis, and differentiation. Sophorolipids have been reported to induce differentiation in several leukemic cell lines, cell death via apoptosis in a human liver cancer cell line, and necrosis in a pancreatic adenocarcinoma cell line. Here we report, for the first time, the effects of precursor fatty acids and sophorolipids of oleic and linoleic acids in pure acidic and crude forms on LN-229, a glioma cell line. In response to different sophorolipid forms, various morphological changes were observed, such as formation of long thread-like extensions arising from the ends of the cells, cell alignment, cell elongation and bundle formation in a dose-dependent manner. In this study we present the morphological evidence of the potential of sophorolipids as differentiation inducers.

}, keywords = {Differentiation, Glioma, LN-229, Sophorolipid}, issn = {1860-6768}, doi = {10.1002/biot.201000345}, author = {Joshi-Navare, Kasturi and Shiras, Anjali and Prabhune, Asmita} } @article { ISI:000296020200002, title = {Diversifying the structural architecture of synthetic oligomers: the hetero foldamer approach}, journal = {Chemical Communications}, volume = {47}, number = {42}, year = {2011}, month = {AUG}, pages = {11593-11611}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Conformationally ordered synthetic oligomers, also called {\textquoteleft}{\textquoteleft}foldamers{\textquoteright}{\textquoteright}, have attracted considerable attention in recent years owing to their ability to mimic the structural architecture of biopolymers and also because of their potential applications in biomedical and material science fields. Until recently, the major focus in this area has been the development of oligomers featuring a single type of monomer building blocks. However, due to the enormous possibility of augmenting the conformational space available for oligomer design, the hetero foldamer approach has been introduced very recently. This feature article aims to describe foldamers with unique structural architectures, exclusively featuring heterogeneous backbones (hetero foldamers).

}, issn = {1359-7345}, doi = {10.1039/c1cc13313f}, author = {Roy, Arup and Prabhakaran, Panchami and Baruah, Pranjal Kumar and Sanjayan, Gangadhar J.} } @article { ISI:000289973100006, title = {Dynamic mechanical and perforation impact behavior of all-PP composites containing beta-nucleated random PP copolymer as matrix and stretched PP homopolymer tape as reinforcement: effect of draw ratio of the tape}, journal = {Journal of Thermoplastic Composite Materials}, volume = {24}, number = {3}, year = {2011}, month = {MAY}, pages = {377-388}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

Cross-ply all-polypropylene (PP) composite laminates were prepared by hot consolidation after tape winding combined with film stacking. Alpha (alpha) PP tapes of different draw ratios (DR = 8 and 12), produced by online extrusion stretching, served as reinforcements. Beta (beta)-nucleated random PP copolymer, introduced in the form of a film, composed the matrix. The E-modulus of the PP tapes increased whereas their density decreased with increasing DR. The volume fraction of the reinforcement and the void content were estimated using optical microscopic images. The all-PP composites were subjected to dynamic mechanical thermal analysis, flexural, and instrumented falling weight impact tests. It was found that with increasing draw ratio of the alpha-PP tapes, the stiffness, strength, and perforation resistance of the composites were improved.

}, keywords = {all-polypropylene composite, draw ratio, dynamic mechanical thermal analysis, instrumented falling weight impact, polypropylene}, issn = {0892-7057}, doi = {10.1177/0892705710391402}, author = {Abraham, Thomas N. and Wanjale, S. and Siengchin, S. and Karger-Kocsis, Jozsef} } @article { ISI:000294437300035, title = {Ecofriendly hydrogen production from abundant hydrogen sulfide using solar light-driven hierarchical nanostructured ZnIn2S4 photocatalyst}, journal = {Green Chemistry}, volume = {13}, number = {9}, year = {2011}, month = {JUL}, pages = {2500-2506}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

It is quite well-known that refineries are producing huge amount of H2S which has been used to produce sulphur and water using the well-known Claus process. This process is not an economically viable process, due to the high-cost chemical process and creates further acute environmental problems. Therefore, we have demonstrated the conversion of poisonous H2S into H-2 using an ecofriendly phocatalysis process which is a green unconventional energy source. We have investigated ecofriendly nanostructured ZnIn2S4 photocatalyst to produce hydrogen from H2S using solar light. We also demonstrate the controlled synthesis of hierarchical nanostructured ZnIn2S4 using a facile hydrothermal method. The morphologies obtained have been greatly influenced by the presence of triethylamine (TEA) with various concentrations during the reaction. Surprisingly, a highly crystalline hexagonal layer structured ZnIn2S4 was obtained instead of cubic spinel. The hierarchical nanostructure, i.e. marigold flower-like morphology, was obtained without any surfactant. The thin and transparent petals self-assembled to form the unique nanostructured marigold flower. The highly crystalline puffy marigold flowers and nanoplates/nanostrips were obtained using TEA-assisted hydrothermal synthesis. Optical study shows the band gap in the range of 2.34-2.48 eV. Considering the band gap in the visible region, ZnIn2S4 is used as photocatalyst for hydrogen production from hydrogen sulphide under solar light which is hitherto unattempted. The constant photocatalytic activity of hydrogen evolution, i.e. 5287 mu mol h(-1), was obtained using such hierarchical nanostructured ZnIn2S4 under visible light irradiation. It is noteworthy that the H-2 evolution rate obtained is much higher compared to earlier reported photocatalysts. Considering the significance of morphologies for photocatalytic application, the formation mechanism has also been furnished. The unique hierarchical nanostructured ZnIn2S4 ternary semiconductor having hexagonal layer will have potential applications in solar cells, LEDs, charge storage, electrochemical recording, thermoelectricity and other prospective electronic and optical devices.

}, issn = {1463-9262}, doi = {10.1039/c1gc15515f}, author = {Chaudhari, Nilima S. and Bhirud, Ashwini P. and Sonawane, Ravindra S. and Nikam, Latesh K. and Warule, Sambhaji S. and Rane, Vilas H. and Kale, Bharat B.} } @article { ISI:000287338000001, title = {Effect of chemical substituents on the structure of glassy diphenyl polycarbonates}, journal = {Journal of Physical Chemistry B}, volume = {115}, number = {7}, year = {2011}, month = {FEB}, pages = {1579-1589}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Polycarbonates offer a wide variety of physical property behavior that is difficult to predict due to complexities at the molecular scale. Here, the physical structure of amorphous glassy polycarbonates having aliphatic and cycloaliphatic chemical groups is explored through atomistic simulations. The influence of chemical structure on solubility parameter, torsion distributions, radial distribution function, scattering structure factor; orientation distributions of phenylene rings and carbonate groups, and free volume distributions, leading to interchain packing effects, are shown. The effect of the cyclohexyl ring at the isopropylidene carbon as compared to the effect of the methyl groups positioned on the phenylene rings results in a larger reduction in the solubility parameter (delta). The interchain distance estimated for polycarbonates in this work is in the range of 5-5.8 angstrom. The o-methyl groups on the phenylene, rings, as compared to a cyclohexyl ring, lead to higher interchain distances. The highest interchain distance is observed with a trimethylcyclohexylidene group at the isopropylidene carbon. Atomistic simulations reveal two different types of packing arrangement of nearest neighbor chains in the glassy state, one type of which agrees with the NMR experimental data The fundamental insights provided here can be utilized for design of chemical structures for tailored macroscopic properties.

}, issn = {1520-6106}, doi = {10.1021/jp105954z}, author = {Sulatha, M. S. and Natarajan, Upendra} } @article { ISI:000300591700013, title = {Effect of inter-particle interactions on the magnetic properties of magnetite nanoparticles after coating with dextran}, journal = {International Journal of Nanotechnology}, volume = {8}, number = {10-12, SI}, year = {2011}, month = {JAN}, pages = {907-915}, publisher = {INDERSCIENCE ENTERPRISES LTD}, address = {WORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 896, CH-1215 GENEVA, SWITZERLAND}, abstract = {

Nanoparticles of magnetite (Fe3O4) are synthesised by a coprecipitation method and coated with the biocompatible polymer, dextran. The uncoated and dextran coated magnetite nanoparticles are characterised by powder X-ray diffraction, infrared spectroscopy, transmission electron microscopy, and magnetic measurements. The magnetic properties of the uncoated and coated magnetite nanoparticles are compared to study the effect of inter-particle magnetic interactions on the magnetic characteristics. Absence of magnetic hysteresis at room temperature indicates the superparamagnetic nature of the two samples. Evidence for the effect of reduced inter-particle magnetic interactions is directly obtained from the field dependence of magnetisation at room temperature. The decreased superparamagnetic blocking temperature and the nature and shape of the field cooled magnetisation curve of the dextran coated sample further confirmed that the inter-particle magnetic interactions are completely suppressed after coating.

}, keywords = {dextran coating, magnetic interactions, magnetic properties, magnetite, Nanoparticles}, issn = {1475-7435}, author = {Sreeja, V. and Joy, Pattayil Alias} } @article {43240, title = {Effect of solvation on the vertical ionization energy of thymine: from microhydration to bulk}, journal = {Journal of Physical Chemistry A}, volume = {115}, year = {2011}, month = {JUN}, pages = {6028-6038}, abstract = {The effect of hydration on the vertical ionization energy (VIE) of thymine was characterized using equation-of-motion ionization potential coupled-cluster (EOM-IP-CCSD) and effective fragment potential (EFP) methods. We considered several microsolvated clusters as well as thymine solvated in bulk water. The VIE in bulk water was computed by averaging over solvent-solute configurations obtained from equilibrium molecular dynamics trajectories at 300 K. The effect of microsolvation was analyzed and contrasted against the combined effect of the first solvation shell in bulk water. Microsolvation reduces the ionization energy (IE) by about 0.1 eV per water molecule, while the first solvation shell increases the IE by 0.1 eV. The subsequent solvation lowers the IE, and the bulk value of the solvent-induced shift of thymine{\textquoteright}s VIE is approximately -0.9 eV. The combined effect of the first solvation shell was explained in terms of specific solute-solvent interactions, which were investigated using model structures. The convergence of LE to the bulk value requires the hydration sphere of approximately 13.5 angstrom radius. The performance of the EOM-IP-CCSD/EFP scheme was benchmarked against full EOM-IP-CCSD using microhydrated structures. The errors were found to be less than 0.01-0.02 eV. The relative importance of the polarization and higher multipole moments in EFP model was also investigated.}, doi = {10.1021/jp110438c}, author = {Ghosh, Debashree and Isayev, Olexandr and Slipchenko, Lyudmila V. and Krylov, Anna I.} } @article { ISI:000291182100026, title = {Efficiency and recycling capability of montmorillonite supported Fe-Ni bimetallic nanocomposites towards hexavalent chromium remediation}, journal = {Applied Catalysis B-Environmental}, volume = {104}, number = {3-4}, year = {2011}, month = {MAY}, pages = {407-414}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The remediation of Cr(VI) from simulated water streams is investigated using Fe-Ni bimetallic nanoparticles (Fe-Ni NPs) and their nanocomposites prepared with montmorillonite (MMT) clay. These nanocomposites are characterized using X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and Brunauer-Emmett-Teller (BET) surface area analyses. XRD analysis revealed proper dispersion as well as intercalation of Fe-Ni NPs in the clay matrix. TEM of nanocomposites showed the presence of spherical particles having a size of 20-40 nm. Batch experiments with a 25 mg L(-1) Cr(VI) solution and 2 g L-1 Fe-Ni NPs exhibited complete reduction of Cr(VI) within 10 min that follows first order reaction kinetics. Amongst 25\%, 50\%, 75\% in situ and loaded nanocomposites, 75\% compositions possess better activity with enhanced reduction capacity below pH 4 due to generation of reactive H center dot species. XPS analysis of nanocomposites after Cr(VI) treatment suggested that reduction process occurs through Cr(111) formation followed by its subsequent reduction to Cr(0). Their potentiality towards reusage is established from the recycling experiments that revealed the order of efficiency as 75\% in situ \> Fe-Ni NPs \> 75\% loaded nanocomposites. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Cr(VI) remediation, Iron-nickel bimetallics, Montmorillonite, Nanocomposites, Recycling}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2011.02.011}, author = {Kadu, Brijesh S. and Sathe, Yogesh D. and Ingle, Abhijit B. and Chikate, Rajeev C. and Patil, Kashinath R. and Rode, Chandrashekhar V.} } @article { ISI:000288848900018, title = {Efficient convergent access to spiroketal segment of (+)-spiroxaline methyl ether}, journal = {Synthesis-Stuttgart}, volume = {2}, number = {7}, year = {2011}, month = {APR}, pages = {1137-1141}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Starting from trimethylsilylacetylene, a facile synthesis of optically pure spiroketal unit of (+)-spiroxaline methyl ether has been described. The synthesis entails stepwise alkylation and acylation of an alkyne with two different readily available chiral building blocks followed by the reductive in situ regio- and stereoselective spiroketalization pathway.

}, keywords = {(+)-spiroketal segment synthesis, (R)-gamma-valerolactone, (R)-oxirane, alkyne, nucleophilic reactions}, issn = {0039-7881}, doi = {10.1055/s-0030-1258456}, author = {Singh, Mandeep and N. P. Argade} } @article {42724, title = {Efficient hydrogenation of organic carbonates, carbamates, and formates indicates alternative routes to methanol based on CO2 and CO}, journal = {Nature Chemistry}, volume = {3}, year = {2011}, month = {JUL}, pages = {609{\textendash}614}, abstract = {

Catalytic hydrogenation of organic carbonates, carbamates and formates is of significant interest both conceptually and practically, because these compounds can be produced from CO2 and CO, and their mild hydrogenation can provide alternative, mild approaches to the indirect hydrogenation of CO2 and CO to methanol, an important fuel and synthetic building block. Here, we report for the first time catalytic hydrogenation of organic carbonates to alcohols, and carbamates to alcohols and amines. Unprecedented homogeneously catalysed hydrogenation of organic formates to methanol has also been accomplished. The reactions are efficiently catalysed by dearomatized PNN Ru(II) pincer complexes derived from pyridine- and bipyridine-based tridentate ligands. These atom-economical reactions proceed under neutral, homogeneous conditions, at mild temperatures and under mild hydrogen pressures, and can operate in the absence of solvent with no generation of waste, representing the ultimate {\textquoteleft}green{\textquoteright} reactions. A possible mechanism involves metal{\textendash}ligand cooperation by aromatization{\textendash}dearomatization of the heteroaromatic pincer core.

}, doi = {10.1038/nchem.1089}, author = {Balaraman, Ekambaram and Gunanathan, Chidambaram and Zhang, Jing and Shimon, Linda J. W. and Milstein, David} } @article { ISI:000292555200032, title = {Electrical behavior of silver particulate films deposited on 8 MeV electron beam irradiated softened polystyrene substrates}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {22}, number = {8}, year = {2011}, month = {AUG}, pages = {1095-1100}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Results of the investigations carried out on the electrical behavior of silver particulate films deposited on electron beam irradiated polystyrene (PS) coated substrates held at a temperature of 455 K in a vacuum of 8 x 10(-6) torr at a constant deposition rate of 0.4 nm/s are reported. It is known that when metals are evaporated on to softened polymer substrates, subsurface particulate structures are formed whose morphology is dependent on deposition parameters. Further, it was shown that the morphology is dependent on polymer-metal interaction. The present work demonstrates that the polymer-metal interaction can be brought about in inert polymers like PS by electron irradiation. The results indicate that the films deposited on PS irradiated to a dose of 20 and 25 kGy gives rise to smaller clusters with smaller inter-cluster separation, better suited for sensor applications. The induced polymer-metal interaction is attributed to the creation of free radicals due to the 8 MeV electron irradiation.

}, issn = {0957-4522}, doi = {10.1007/s10854-010-0266-9}, author = {Pattabi, Manjunatha and Gurumurthy, S. C. and Sanjeev, Ganesh and Gaikwad, A. B.} } @article { ISI:000289376200002, title = {Electrochemical fluorescence switching from a patternable poly(1,3,4-oxadiazole) thin film}, journal = {Macromolecular Rapid Communications}, volume = {32}, number = {8}, year = {2011}, month = {APR}, pages = {637-643}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

A highly soluble poly(1,3,4-oxadiazole) (POD) substituted with long alkyl chains was examined for electrochemical fluorescence switching. The high solubility of the polymers enabled a simple fabrication of an electrochemical cell, which showed reversible fluorescence switching between dark (n-doping) and bright (neutral) states with a maximum on/off ratio of 2.5 and a cyclability longer than 1000 cycles. Photochemical cleavage of the oxadiazole in POD allowed photo-patterning of the POD film upon exposure to UV source. The patterned POD films displayed patterned image reversibly under a step potential of +1.8/-1.8V.

}, keywords = {fluorescence, lithography, Luminescence, photochemistry, switching device}, issn = {1022-1336}, doi = {10.1002/marc.201000791}, author = {Seo, Seogjae and Kim, Yuna and You, Jungmok and Sarwade, Bhimrao D. and Wadgaonkar, Prakash P. and Menon, Shamal K. and More, Arvind S. and Kim, Eunkyoung} } @article { ISI:000291715300005, title = {Electrochemical unzipping of multi-walled carbon nanotubes for facile synthesis of high-quality graphene nanoribbons}, journal = {Journal of the American Chemical Society}, volume = {133}, number = {12}, year = {2011}, month = {MAR}, pages = {4168-4171}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here we report a remarkable transformation of carbon nanotubes (CNTs) to nanoribbons composed of a few layers of graphene by a two-step electrochemical approach. This consists of the oxidation of CNTs at controlled potential, followed by reduction to form graphene nanoribbons (GNRs) having smooth edges and fewer defects, as evidenced by multiple characterization techniques, including Raman spectroscopy, atomic force microscopy, and transmission electron microscopy. This type of {\textquoteleft}{\textquoteleft}unzipping{\textquoteright}{\textquoteright} of CNTs (single-walled, multi-walled) in the presence of an interfacial electric field provides unique advantages with respect to the orientation of CNTs, which might make possible the production of GNRs with controlled widths and fewer defects.

}, issn = {0002-7863}, doi = {10.1021/ja1101739}, author = {Shinde, Dhanraj B. and Debgupta, Joyashish and Kushwaha, Ajay and Aslam, Mohammed and Pillai, Vijayamohanan K.} } @article { ISI:000295921500010, title = {Employing homoenolates generated by NHC catalysis in carbon-carbon bond-forming reactions: state of the art}, journal = {Chemical Society Reviews}, volume = {40}, number = {11}, year = {2011}, month = {JUL}, pages = {5336-5346}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Homoenolate is a reactive intermediate that possesses an anionic or nucleophilic carbon beta to a carbonyl group or its synthetic equivalent. The recent discovery that homoenolates can be generated from alpha,beta-unsaturated aldehydes via N-Heterocyclic Carbene (NHC) catalysis has led to the development of a number of new reactions. A majority of such reactions include the use of carbon-based electrophiles, such as aldehydes, imines, enones, dienones etc. resulting in the formation of a variety of annulated as well as acyclic products. The easy availability of chiral NHCs has allowed the development of very efficient enantioselective variants of these reactions also. The tolerance showed by NHCs towards magnesium and titanium based Lewis acids has been exploited in the invention of cooperative catalytic processes. This tutorial review focuses on these and other types of homoenolate reactions reported recently, and in the process, updates the previous account published in 2008 in this journal.

}, issn = {0306-0012}, doi = {10.1039/c1cs15139h}, author = {Nair, Vijay and Menon, Rajeev S. and Biju, Akkattu T. and Sinu, C. R. and Paul, Rony Rajan and Jose, Anu and Sreekumar, Vellalath} } @article { ISI:000298066300009, title = {Energy optimization in integrated pulp and paper mills with recourse to environmental benefits}, journal = {Journal of Scientific \& Industrial Research}, volume = {70}, number = {12}, year = {2011}, month = {DEC}, pages = {1061-1069}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

This study focuses on energy optimization in evaporator and digester of integrated pulp and paper mills in India, and recommends application of 7 effects/plates evaporator in place of 5 effects/plates normally used. Steam economy resulting from this modification is definitely more than 7. Pinch technology is found suitable for optimization of controlled parameters in the digester. Using recommendations, total energy savings was observed in West Coast Paper Mill (11.74\%) and Star Paper Mill (12.97\%). Environmental benefits that will accrue in terms of reductions in emissions are: SPM, 46464-48664 TPA; SO(2), 1045 kg/annum; H(2)S, 55,020 kg/annum; and CO(2), 13612 TPA.

}, keywords = {Air emissions, Digester, Evaporator, Pinch technology, Steam economy}, issn = {0022-4456}, author = {Pharande, V. A. and Asthana, S. R. and Saini, D. R. and Kaul, S. N.} } @article { ISI:000286732600010, title = {Enhanced DNA binding of 9-omega-amino alkyl ether analogs from the plant alkaloid berberine}, journal = {DNA and Cell Biology}, volume = {30}, number = {2}, year = {2011}, month = {FEB}, pages = {123-133}, publisher = {MARY ANN LIEBERT, INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {

To understand the structure-activity relationship of isoquinoline alkaloids, absorption, fluorescence, circular dichroism, and thermodynamics were employed to study the interaction of five C-9-omega-amino alkyl ether analogs from the plant alkaloid berberine with double-stranded calf thymus DNA. The C-9 derivatization resulted in dramatic enhancements in the fluorescence emission of these compounds. The most remarkable changes in the spectral and binding properties were in the BC4 and BC5 derivatives. Interactions of these analogs, which have an additional recognition motif with DNA, were evaluated through different spectroscopic and calorimetric titration experiments. The analogs remarkably enhanced the DNA binding affinity and the same was directly dependent on the alkyl chain length. The analog with six alkyl chains enhanced the DNA binding affinity by about 33 times compared with berberine. The binding became more entropically driven with increasing chain length. These results may be of potential use in the design of berberine derivatives and understanding of the structure-activity relationship for improved therapeutic applications.

}, issn = {1044-5498}, doi = {10.1089/dna.2010.1109}, author = {Islam, Md Maidul and Basu, Anirban and Hossain, Maidul and Sureshkumar, Gopalsamy and Hotha, Srinivas and Kumar, Gopinatha Suresh} } @article { ISI:000287924700049, title = {Enhanced electrocatalytic performance of interconnected Rh nano-chains towards formic acid oxidation}, journal = {Energy \& Environmental Science}, volume = {4}, number = {3}, year = {2011}, month = {MAR}, pages = {1029-1036}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A chain-like assembly of rhodium nanoparticles (5-7 nm mean diameter) has been synthesized from rhodium chloride with the help of polydentate molecules like tartaric and ascorbic acids (1 : 3 in mM scale) as capping agents at room temperature. Subsequent characterization using transmission electron microscopy, X-ray diffraction and X-ray photoelectron spectroscopy reveals a unique inter-connected network like features, while their electrochemical behavior using cyclic voltammetry and current-time transient suggests potential applications as electrocatalysts in fuel cells. A significant negative shift in the onset potential as well as higher anodic peak current density for formic acid oxidation on Rh-tartaric acid (Rh-TA) as compared to that of bulk Rh metal confirms their higher electrocatalytic activity. Interestingly, the enhancement factor (R) with respect to that of bulk metallic Rh towards formic acid oxidation ranges up to 2000\% for Rh-TA and 1200\% for Rh-AA (Rh-ascorbic acid) respectively. The composition of Rh nano-chains has been further analyzed with thermogravimetry and Fourier transform infra-red spectroscopy to demonstrate the importance of controlling the chain topology using polyfunctional organic molecules. These findings open up new possibilities for tailoring nanostructured electrodes with potential benefits since the development of a better electrocatalysts for many fuel cell reactions continues to be an important challenge.

}, issn = {1754-5692}, doi = {10.1039/c0ee00219d}, author = {Sathe, Bhaskar R. and Balan, Beena K. and Pillai, Vijayamohanan K.} } @article { ISI:000294187400078, title = {Enhanced enzymatic hydrolysis of cellulose by partial modification of its chemical structure}, journal = {Carbohydrate Polymers}, volume = {86}, number = {2}, year = {2011}, month = {AUG}, pages = {962-968}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A series of 2,3-dialdehyde celluloses with different degrees of oxidation were used for deriving corresponding dicarboxylate, dicarboxy, and Schiff{\textquoteright}s base cellulose derivatives. The dialdehyde cellulose was hydrolyzed by cellulase to a lower extent than the starting cellulose, except at high levels of aldehyde content (above 50\%). For dicarboxylate and dicarboxy celluloses, the highest level of oxidized NaDCC and DCC hydrolysed up to 70 and 60\% respectively which was 3-4 times more than cellulose. The 2,3-dioxime cellulose derivative hydrolyzes only up to 16.3\% for the highest level of oxidized dioxime. In the case of 2,3-diethylimine cellulose, all derivatives hydrolyse faster than the native cellulose. Up to 75\% hydrolysis was observed for 2,3-diethyimine cellulose-50, 2,3-dipropylimine and 2,3-dibutylimine cellulose. The 2,3-dibenzylimine cellulose hydrolyses a little slower than the alkylimine derivatives. The 2,3-dihydrazone cellulose derivatives with all level of oxidation showed resistance towards enzymatic hydrolysis. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {2, 3-Dialdehyde celluloses, 3-Dibenzylimine cellulose, 3-Dibutylimine cellulose, 3-Dicarboxy celluloses, 3-Diethyimine cellulose, 3-Dihydrazone cellulose, 3-Dipropylimine cellulose, Cellulase, Enzymatic hydrolysis}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2011.05.067}, author = {Shaikh, H. M. and Adsul, Mukund G. and Gokhale, D. V. and Varma, Anjanikumar} } @article { ISI:000286431500017, title = {Enhanced stability of G-quadruplexes from conformationally constrained aep-PNA backbone}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {3}, year = {2011}, month = {NOV}, pages = {725-729}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Nucleic (DNA) acids having contiguous stretch of G sequence form quadruplex structure, which is very critical to control cell division. Recently the existence of G-quadruplex in RNA is also reported in presence of monovalent metal ion. PNA is a promising DNA analogue which binds strongly to DNA to form PNA: DNA duplex or PNA(2) : DNA triplex. PNA also forms quadruplexes such G-quadruplex and i-motif in G and C-rich sequences respectively. aep-PNA containing a prolyl ring is one of several PNA analogues that provide rigidity and chirality in backbone and has binding affinity to natural DNA which is higher than that of PNA. Here we examine the ability of aep-PNA-G to form a quadruplex by UV, CD and mass spectroscopic techniques.

}, issn = {1477-0520}, doi = {10.1039/c0ob00528b}, author = {Sharma, Nagendra K. and Ganesh, Krishna N.} } @article { ISI:000294373200122, title = {Environmental potential applications of alkali metal exchanged zeolite x in carbon dioxide adsorption}, journal = {Research Journal of Chemistry and Environment }, volume = {15}, number = {2}, year = {2011}, month = {JUN}, pages = {661-671}, publisher = {DR JYOTI GARG}, address = {SECTOR A/80 SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE MP, 452 010, INDIA}, abstract = {

The increasing atmospheric CO2 concentration, mainly caused by the Thermal Power Stations, Industrial sector and fossil fuel combustion, has led to consequences of global warming. Zeolitic adsorption processes is more promising, energy saving and viable method for CO2 removal in Comparison to other technologies. In order to examine the behavior and to establish the trends in carbon dioxide sorption, NaX zeolite (Si/Al = 1.15) and it{\textquoteright}s the modified forms with identical degree (55.5 +/- 2.5) of exchange by K+, Rb+ and Cs+ cations have been selected., The samples were characterized by powder XRD, Low temperature nitrogen adsorption/desorption measurements, chemical analysis and also for the intermediate electronegativity and the partial charges on the atoms using Sanderson{\textquoteright}s electronegativity equalization principle. The isotherms of carbon dioxide using these NaX, NaKX, NaRbX and NaCsX samples were measured at an interval of 30 K in the temperature range of 273 to 363 K up to 600 Torr. The uptake of CO2 was found to depend on both, the size of the nonframework cation and the temperature at which the isotherms were measured. The cations with lower charge density will have lower extent of electrostatic interaction with the sorbate molecules. Since CO2 has more linear quadrupole moment, it interacts mainly with the extra-framework cations and framework oxygen. The carbon dioxide sorption data satisfactorily represented by Langmuir and also analyzed for the chemical affinity. The Isosteric heat (q(st)) of NaX for the coverage of 20 molecules per unit cell is nearly equal to 26 kJ, mol(-1). The NaX and NaKX comparatively show a flat heat profile with the increasing amount sorbed than those of NaRbX and NaCsX indicating a balance between the strength of energetic heterogeneity of sorbate-sorbent interactions and sorbate-sorbate interactions.

}, keywords = {CO2 sorption, Ionic exchange, Isosteric heat, NaX zeolite, Theoretical models}, issn = {0972-0626}, author = {Joshi, U. D. and Joshi, P. N. and Roh, H. S. and Yoon, W. L. and Shiralkar, V. P.} } @article { ISI:000293491600007, title = {Esterification of fatty acids with glycerol over Fe-Zn double-metal cyanide catalyst}, journal = {Catalysis Communications}, volume = {12}, number = {14}, year = {2011}, month = {AUG}, pages = {1302-1306}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Solid Fe-Zn double-metal cyanide (DMC) complex exhibits high catalytic activity for esterification of fatty acids (FA) with glycerol. DMC catalysts with varying acidities were prepared by synthesizing the material at four different temperatures (10, 25, 50 and 80 degrees C). The catalyst prepared at 50 degrees C exhibited highest catalytic activity. Catalytic activity of DMC was influenced by both acidity and surface area. Complete conversion of FA was achieved at 140-200 degrees C under atmospheric pressure. Chain length of FA was found to influence the rate of reaction and product selectivity. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Acid-catalyzed reaction, Double-metal cyanide (DMC), Esterification of fatty acid, Fatty acid glycerides, solid acid catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2011.05.008}, author = {Kotwal, Mehejabeen and Deshpande, Suvarna S. and Srinivas, D.} } @article { ISI:000287716400004, title = {Expression analysis of cinnamoyl-CoA reductase (CCR) gene in developing seedlings of Leucaena leucocephala: A pulp yielding tree species}, journal = {Plant Physiology and Biochemistry}, volume = {49}, number = {2}, year = {2011}, month = {FEB}, pages = {138-145}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Removal of lignin is a major hurdle for obtaining good quality pulp. Leucaena leucocephala (subabul) is extensively used in paper industry in India; therefore, as a first step to generate transgenic plants with low lignin content, cDNA and genomic clones of CCR gene were isolated and characterized. The cDNA encoding CCR (EC 1.2.1.44) was designated as LI-CCR; the sequence analysis revealed an Open Reading Frame (ORF) of 1005 bp. Phylogenetic analysis showed that LI-CCR sequence is highly homologous to CCRs from other dicot plants. The 2992 bp genomic clone of Leucaena CCR consists of 5 exons and 4 introns. The haploid genome of L leucocephala contains two copies as revealed by DNA blot hybridization. LI-CCR gene was over-expressed in Escherichia coli, which showed a molecular mass of approximately 38 kDa. Protein blot analysis revealed that LI-CCR protein is expressed at higher levels in root and in stem, but undetectable in leaf tissues. Expression of CCR gene in Leucaena increased up to 15 d in case of roots and stem as revealed by QRT-PcR studies in 0-15 d old seedlings. ELISA based studies of extractable CCR protein corroborated with QRT-PCR data. CCR protein was immuno-cytolocalized around xylem tissue. Lignin estimation and expression studies of 5,10 and 15 d old stem and root suggest that CCR expression correlates with quantity of lignin produced, which makes it a good target for antisense down regulation for producing designer species for paper industry. (C) 2010 Elsevier Masson SAS. All rights reserved.

}, keywords = {Cinnamoyl-CoA reductase, Developing seedling, Leucaena leucocephala, Lignin biosynthesis}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2010.11.001}, author = {Srivastava, Sameer and Gupta, Ranadheer K. and Arha, Manish and Vishwakarma, Rishi K. and Rawal, Shuban K. and Kishor, P. B. Kavi and Khan, Bashir Mohammad} } @article { ISI:000286852900002, title = {Extrudate swell of linear and branched polyethylenes: ALE simulations and comparison with experiments}, journal = {Journal of Non-Newtonian Fluid Mechanics}, volume = {166}, number = {1-2}, year = {2011}, month = {JAN}, pages = {12-24}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Extrudate swell is a common phenomenon observed in the polymer extrusion industry. Accurate prediction of the dimensions of an extrudate is important for appropriate design of dies for profile extrusion applications. Prediction of extrudate swell has been challenging due to (i) difficulties associated with accurate representation of the constitutive behavior of polymer melts, and (ii) difficulties associated with the simulation of free surfaces, which requires special techniques in the traditionally used Eulerian framework. In a previous work we had argued that an Arbitrary Lagrangian Eulerian (ALE) based finite element formulation may have advantages in simulating free surface deformations such as in extrudate swell. In the present work we reinforce this argument by comparing our ALE simulations with experimental data on the extrudate swell of commercial grades of linear polyethylene (LLDPE) and branched polyethylene (LOPE). Rheological behavior of the polymers was characterized in shear and uniaxial extensional deformations, and the data was modeled using either the Phan-Thien Tanner (PTT) model or the eXtended Pom-Pom (XPP) model. Additionally, flow birefringence and pressure drop measurements were done using a 10:1 contraction-expansion (CE) slit geometry in a MultiPass Rheometer. Simulated pressure drop and contours of the principal stress difference were compared with experimental data and were found to match well. This provided an independent test for the accuracy of the ALE code and the constitutive equations for simulating a processing-like flow. The polymers were extruded from long (L/D=30) and short (L/D=10) capillaries dies at 190 degrees C. ALE simulations were performed for the same extrusion conditions and the simulated extrudate swell showed good agreement with the experimental data. Crown Copyright (C) 2010 Published by Elsevier B.V. All rights reserved.

}, keywords = {ALE-FEM, extrudate swell, Flow birefringence, MultiPass Rheometer, PSD, PTT, XPP}, issn = {0377-0257}, doi = {10.1016/j.jnnfm.2010.10.001}, author = {Ganvir, Vivek and Gautham, Basavarsu P. and Pol, Harshawardhan and Bhamla, M. Saad and Sclesi, Lino and Thaokar, Rochish and Lele, Ashish K. and Mackley, Malcolm} } @article { ISI:000291525400022, title = {Fabrication, thermal and electrical properties of polyphenylene sulphide/copper composites}, journal = {Materials Chemistry and Physics}, volume = {128}, number = {1-2}, year = {2011}, month = {JUL}, pages = {114-120}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The thermal and electrical properties of high performance poly(phenylene sulphide) (PPS) composites reinforced up to 31 vol\% Cu particles were investigated to be used as materials for electronic applications. The thermal stability and char yield of the composites increased significantly. Both pre- and post- glass transition coefficient of thermal expansion (CTE) of composites decreased significantly. The microhardness was increased by more than 50\% compared to pure PPS matrix. Microhardness and CTE of composites correlated well with the rule of mixtures. A percolation threshold about 6 vol\% Cu was obtained. The electrical conductivity was increased by about eight orders of magnitude for 18 vol\% composite. Dielectric constant and dissipation factor of composites at 1 MHz was increased by about 6-fold and 70-fold compared to matrix, respectively. They decreased gradually with increasing frequency up to 1 MHz and thereafter, there was insignificant change. The scanning electron microscope showed almost uniform distribution of Cu particles in the matrix. Owing to better dimensional stability and good electrical properties, these composites are very promising for electronic applications. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Dielectric property, Electrical conductivity, hardness, Thermal expansion}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2011.02.065}, author = {Goyal, R. K. and Kambale, K. R. and Nene, S. S. and Selukar, B. S. and Arbuj, Sudhir S. and Mulik, Uttam P.} } @article { ISI:000293756800010, title = {Facile synthesis of unusual glycosyl carbamates and amino acid glycosides from propargyl 1,2-orthoesters as glycosyl donors}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, number = {17}, year = {2011}, month = {MAR}, pages = {5951-5959}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Propargyl 1,2-O-orthoesters are exploited for the synthesis of 1,2-trans O-glycosides of protected amino acids. N-Fmoc- and N-Cbz protected serine/threonine - benzyl/methyl esters reacted well with glucosyl-, galactosyl-, mannosyl- and lactosyl- derived propargyl 1,2-orthoesters affording respective 1,2-trans glycosides in good yields under AuBr(3)/4 angstrom MS Powder/CH(2)Cl(2)/rt. t-Boc serine derivative gave serine 1,2-orthoester and glycosyl carbamate. Optimized conditions enabled preparation of new glycosyl carbamates from N-Boc protected amines in a single step using gold catalysts and propargyl 1,2-orthoesters in excellent yields.

}, issn = {1477-0520}, doi = {10.1039/c1ob05056g}, author = {Shaikh, Ashif Y. and Sureshkumar, Gopalsamy and Pati, Debasish and Sen Gupta, Sayam and Hotha, Srinivas} } @article { ISI:000294874800029, title = {Factors Influencing the Kinetics of Esterification of Fatty Acids over Solid Acid Catalysts}, journal = {Energy \& Fuels}, volume = {25}, number = {9}, year = {2011}, month = {SEP}, pages = {4106-4112}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The kinetics of esterification of fatty acids with alcohols over three different solid acid catalysts, viz., large pore zeolite-beta (H beta), micro-mesoporous Fe-Zn double-metal cyanide (DMC), and mesoporous Al-MCM-41, have been reported. Hydrophobicity of these catalysts increases in the order: Al-MCM-41 \< H beta \< DMC. The chain lengths of the fatty acid (C(8.0)-C(18.1)) and alcohol (C(1)-C(8)) molecules have been varied, and their influence on kinetic parameters has been studied. The present study reveals that porosity and surface hydrophobicity of the catalyst are the two important factors other than acid properties (concentration and strength of acid centers) that influence the esterification reaction.

}, issn = {0887-0624}, doi = {10.1021/ef2009138}, author = {Satyarthi, Jitendra Kumar and Radhakrishnan, Sambhu and Srinivas, Darbha} } @article { ISI:000288677200073, title = {Ferrocene based organometallic gelators: a supramolecular synthon approach}, journal = {Soft Matter}, volume = {7}, number = {7}, year = {2011}, month = {FEB}, pages = {3634-3641}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The supramolecular synthon namely primary ammonium dicarboxylate (PAD) synthon has been exploited to generate a new series of salt based low molecular weight gelators (LMWGs) derived from ferrocenedicarboxylic acid (FDCA) and primary amines Me-(CH2)(n)-NH2 (n = 3-15). While most of the salts are capable of forming gels with DMSO and DMF, nearly all of them show a tendency to form gels with at least one of the solvents studied. Structure property correlation based on single crystal and powder X-ray diffraction data in combination with optical-, scanning-, and transmission-electron microscopy reveals that the supramolecular synthon approach adopted herein for designing LMWGs is indeed useful and allows one to get an easy access to a new series of organometallic gelators.

}, issn = {1744-683X}, doi = {10.1039/c0sm01148g}, author = {Sahoo, Pathik and Puranik, Vedavati G. and Patra, A. K. and Sastry, P. U. and Dastidar, Parthasarathi} } @article { ISI:000299031600049, title = {Ferroelectric and electrical characterization of multiferroic BiFeO3 at the single nanoparticle level}, journal = {Applied Physics Letters}, volume = {99}, number = {25}, year = {2011}, month = {DEC}, pages = {Article No. 252905}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Ferroelectric BiFeO3 (BFO) nanoparticles deposited on epitaxial substrates of SrRuO3 (SRO) and La1-xSrxMnO3 (LSMO) were studied using band excitation piezoresponse spectroscopy (BEPS), piezoresponse force microscopy (PFM), and ferromagnetic resonance (FMR). BEPS confirms that the nanoparticles are ferroelectric in nature. Switching behavior of nanoparticle clusters were studied and showed evidence for inhomogeneous switching. The dimensionality of domains within nanoparticles was found to be fractal in nature, with a dimensionality constant of similar to 1.4, on par with ferroelectric BFO thin-films under 100 nm in thickness. Ferromagnetic resonance studies indicate BFO nanoparticles only weakly affect the magnetic response of LSMO. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3671392]

}, issn = {0003-6951}, doi = {10.1063/1.3671392}, author = {Vasudevan, R. K. and Bogle, Kashinath A. and Kumar, A. and Jesse, S. and Magaraggia, R. and Stamps, R. and Ogale, Satishchandra B. and Potdar, H. S. and Nagarajan, V.} } @article { ISI:000295444000015, title = {First asymmetric synthesis of the antiepileptic drug lacosamide (Vimpat (R)) based on a hydrolytic kinetic resolution strategy}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {12}, year = {2011}, month = {JUN}, pages = {1353-1357}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient asymmetric synthesis of the new antiepileptic drug, Lacosamide is described in high enantiopurity (\>98\% ee), using Jacobsen{\textquoteright}s hydrolytic kinetic resolution strategy as a key step. (C) 2011 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2011.07.024}, author = {Muthukrishnan, Murugan and Mujahid, Mohammad and Sasikumar, M. and Mujumdar, P.} } @article { ISI:000290297800015, title = {First total synthesis of 5-hydroxy-3-methyl-4-propylsulfanyl-5H-furan-2-one: a cancer chemopreventive agent}, journal = {Synthesis-Stuttgart}, number = {10}, year = {2011}, month = {MAY}, pages = {1595-1598}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The first total synthesis of 5-hydroxy-3-methyl-4-propylsulfanyl-5H-furan-2-one, a newly discovered natural product with anticancer property is described by two different routes. A sequence involving an incorporation of a methyl group via a Gilman reagent and a chemoselective reduction of a cyclic anhydride functionality are the key steps. The methods proposed start from easily available starting materials and allow ready preparation of the final compound in good overall yield.

}, keywords = {Allium cepa, chemopreventive, Gilman reagent, selective, synthesis}, issn = {0039-7881}, doi = {10.1055/s-0030-1260004}, author = {Borikar, Sanjay P. and Paul, Vincent and Puranik, Vedavati G. and Sathe, Vilas T. and Lagunas-Rivera, Selene and Ordonez, Mario} } @article {42523, title = {Folding and unfolding movements in a [2]pseudorotaxane}, journal = {Journal of Organic Chemistry}, volume = {76}, year = {2011}, month = {DEC}, pages = {138{\textendash}144}, abstract = {

A new dibenzo[24]crown-8 derivative (1) was synthesized and functionalized with aromatic moieties such as naphthalene and coumarin units. These two fluorophores are known to form an effective FRET (Forster resonance energy transfer) pair, and this formed the basis for the design of this host crown ether derivative. Results of the steady-state and time-resolved fluorescence studies confirmed the resonance energy transfer between the donor naphthalene moiety and acceptor coumarin fragment, while NMR spectra and computational studies support a folded conformation for the uncomplexed crown ether 1. This was found to form an inclusion complex, a [2]pseudorotaxane type with imidazolium ion derivatives as the guest molecules with varying alkyl chain lengths ([C4mim]+ or [C10mim]+). The host crown ether (1) tends to adopt an open conformation on formation of the interwoven inclusion complex (1{\textperiodcentered}[C4mim]+ or 1{\textperiodcentered}[C10mim]+). This change in conformation, from the folded to a open one, was predicted by computational as well as 1H NMR studies and was confirmed by single crystal X-ray structure for one (1{\textperiodcentered}[C4mim]+) of the two inclusion complexes. The increase in the effective distance between the naphthalene and coumarin moieties in the open conformation of these inclusion complexes was also supported by the decrease in the effective FRET process that was operational between naphthalene and coumarin moieties in the free molecule (1). Importantly, this inclusion complex formation was found to be reversible, and in the presence of a stronger base/polar solvent, such as triethyl amine/DMSO, the deprotonation/effective solvation of the cationic imidizolium ions ([C4mim]+ or [C10mim]+) resulted in decomplexation or dethreading with restoration of the original emission spectra for 1, which signifies the subsequent increase in the FRET process. Thus we could demonstrate that a molecular folding-unfolding type of movement in the crown ether derivative could be induced by chemical input as an imidazolium ion.

}, doi = {10.1021/jo101762k}, author = {Suresh, Moorthy and Mandal, Amal Kumar and Kesharwani, Manoj K. and Adarsh, N. N. and Ganguly, Bishwajit and Kanaparthi, Ravi Kumar and Samanta, Anunay and Das, Amitava} } @article { ISI:000295564100011, title = {Formal synthesis of valiolamine from myo-inositol}, journal = {Tetrahedron}, volume = {67}, number = {41}, year = {2011}, month = {OCT}, pages = {7963-7970}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient formal synthesis of racemic valiolamine starting from readily available myo-inositol is reported. In all the synthetic steps only one regioisomer is formed, which circumvents laborious purification of products. Regioselective benzylation of myo-inositol orthoformate, super-hydride mediated deoxygenation of a cyclitol derivative and stereoselective addition of dichloromethyllithium to an inosose are the key reactions in the synthesis. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Amino sugar, Carbohydrate, Cyclitol, Inositol, Natural product, Valiolamine}, issn = {0040-4020}, doi = {10.1016/j.tet.2011.08.027}, author = {Jagdhane, Rajendra C. and Shashidhar, Mysore S.} } @article { ISI:000292892700066, title = {Fourier transform infrared spectroscopic method for monitoring hydroprocessing of vegetable oils to produce hydrocarbon-based biofuel}, journal = {Energy \& Fuels}, volume = {25}, number = {7}, year = {2011}, month = {JUL}, pages = {3318-3322}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A novel Fourier transform infrared spectroscopic method is reported, for the first time, to estimate the conversion of vegetable oil (soybean oil, for example) to hydrocarbon-based biofuel via hydroprocessing. The infrared peak attributed to the carboxyl group (O-C=O) is used as a marker to determine the conversion of fatty acid glycerides in soybean oil to hydrocarbons. Unlike the conventional gas chromatographic method, this new method of estimation is fast and requires no derivatization of the sample and predetermination of response factors of each chemical component in vegetable oil/product samples. H-1 and C-13 nuclear magnetic resonance spectroscopy techniques are also reported to substantiate and confirm the purity and product formation in the hydroprocessing reaction.

}, issn = {0887-0624}, doi = {10.1021/ef200722q}, author = {Satyarthi, Jitendra K. and Srinivas, Darbha} } @article { ISI:000291323000062, title = {Fractal impeller for stirred tank reactors}, journal = {Industrial \& Engineering Chemistry Research}, volume = {50}, number = {12}, year = {2011}, month = {JUN}, pages = {7667-7676}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Stirred tank reactors are used for variety of applications at different scales of operation. The conventional impellers tend to develop regions having nonuniform energy dissipation rates in the stirred reactor. In this work, we propose a novel fractal impeller, which helps in reducing such nonuniformities and help develop a uniform randomness throughout the reactor. The impeller geometry is discussed in detail. Experimental measurements of the power consumption, mixing time, suspension quality, and the ability for gas dispersion were carried out, and the performance is compared with the conventional impellers. The impeller is seen to have a low power number, and it can generate a uniform suspension of particles even at relatively lower impeller speeds and can efficiently disperse gas into liquid to yield relatively higher gas hold-up values. The Fourier analysis of the power consumption time series data indicates that no specific prominent frequency events exist in the reactor, and the spectrum showed several frequency events to exist in the reactor with almost identical prominence.

}, issn = {0888-5885}, doi = {10.1021/ie200301y}, author = {Kulkarni, Amol A. and Jha, Neha and Singh, Abhishek and Bhatnagar, Sumit and Kulkarni, Bhaskar D.} } @article { ISI:000286469900005, title = {Gamma-initiated oxidation of isotactic polypropylene: effect of gamma-dose rate on durability}, journal = {Arabian Journal for Science and Engineering}, volume = {36}, number = {1}, year = {2011}, month = {JAN}, pages = {29-38}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

The effect of gamma-irradiation dose rate on the chemical, molecular, and mechanical properties of isotactic polypropylene (iPP) films was investigated using three different Co-60 sources with dose rates of 600, 660, and 780 Gy h(-1). Fourier transform infrared spectroscopy coupled with chemical derivatization with NO and SF4, and measurements of the elongation at break, toughness, and molecular weight were used to describe the effects of gamma-dose rate on iPP. It was found that the formation of oxidation products depended significantly on the dose rate. However, the kinetic accumulation of ketones were more sensitive to the dose rate of gamma source. Degradation induced by gamma-radiation depends on the dose rate-the degradation of mechanical properties was more significant at a low dose rate than at a high dose rate. It was found that the lower the dose rate, the higher the degree of oxidation in terms of the formation of gamma-products. The mechanism of gamma-degradation is discussed based on the correlation between the changes in chemical and physical properties upon exposure to gamma-radiation.

}, keywords = {Chemical and physical properties, Dose rate, gamma-irradiation, polypropylene}, issn = {1319-8025}, doi = {10.1007/s13369-010-0006-8}, author = {Alariqi, Sameh A. S. and Singh, R. P. and Rao, B. S. M.} } @article { ISI:000295256100040, title = {Genome sequence of idiomarina sp strain a28l, isolated from pangong lake, india}, journal = {Journal of Bacteriology}, volume = {193}, number = {20}, year = {2011}, month = {OCT}, pages = {5875-5876}, publisher = {AMER SOC MICROBIOLOGY}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {

Idiomarina sp. strain A28L was isolated from the alkaline brackish water of a high-altitude lake, Pangong Lake. Here, we present the draft genome of Idiomarina sp. strain A28L, which contains 2,591,567 bp with a G + C content of 45.5 mol\% and contains 2,299 protein-coding genes and 56 structural RNAs.

}, issn = {0021-9193}, doi = {10.1128/JB.05648-11}, author = {Gupta, Hemant Kumar and Singh, Ajit and Sharma, Rakesh} } @article { ISI:000295256100039, title = {Genome sequence of rheinheimera sp strain A13L, isolated from pangong lake, india}, journal = {Journal of Bacteriology}, volume = {193}, number = {20}, year = {2011}, month = {OCT}, pages = {5873-5874}, publisher = {AMER SOC MICROBIOLOGY}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {

Rheinheimera sp. strain A13L, which has antimicrobial activity, was isolated from alkaline brackish water of the high-altitude Pangong Lake of Ladakh, India. Here we report the draft genome sequence of Rhienheimera sp. strain A13L (4,523,491 bp with a G + C content of 46.23\%). The genome is predicted to contain genes for marinocine and colicin V production, which may be responsible for the antimicrobial activity of the strain.

}, issn = {0021-9193}, doi = {10.1128/JB.05636-11}, author = {Gupta, Hemant Kumar and Gupta, Rinkoo Devi and Singh, Ajit and Chauhan, Nar Singh and Sharma, Rakesh} } @article { ISI:000291568100065, title = {Glycerol mediated low temperature synthesis of nickel nanoparticles by solution reduction method}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {11}, number = {6}, year = {2011}, month = {JUN}, pages = {5131-5136}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {25650 NORTH LEWIS WAY, STEVENSON RANCH, CA 91381-1439 USA}, abstract = {

Phase pure Nickel nano-particles were synthesized by in-situ generation of nickel hydrazine hydrate complex (Ni-HH) followed by its decomposition in an alkaline glycerol medium. The synthesis can be performed in an open beaker with or without the use of surface protective reagents. By using the present method, Ni nano-particles can be prepared in large scale. The black nano-powders so-obtained were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), selected area electron diffraction (SAED), Scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), Fourier transform infra-red (FTIR) spectroscopy and thermal analysis (TGA). XRD and SAED analysis revealed that the synthesized particles were pure crystalline nickel with FCC structure.

}, keywords = {Chemical Reduction, Nano-Particles, synthesis, Transition Metal, XRD}, issn = {1533-4880}, doi = {10.1166/jnn.2011.4142}, author = {Singh, Kalpana and Kate, Kunal H. and Chilukuri, V. V. Satayanarayana and Khanna, P. K.} } @article { ISI:000288784400025, title = {Growth of aligned ZnO nanorods array on ITO for dye sensitized solar cell}, journal = {Current Applied Physics}, volume = {11}, number = {1, 1, SI}, year = {2011}, note = {International Conference on Electronic Materials (IUMRS-ICEM), Seoul, SOUTH KOREA, AUG 22-27, 2010}, month = {JAN}, pages = {S113-S116}, publisher = {Int Union Mat Res Soc (IUMRS)}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Aligned ZnO films of nanorods arrays were grown on Indium doped Tin oxide (ITO) glass substrate for the Dye Sensitized Solar Cells (DSSCs) applications. Two-step approach was employed for the deposition, which offers advantages such as excellent surface adhesion, large area deposition, high reproducibility and yield. Structural characterization using X-ray diffraction (XRD) shows a preferred c-axis (002) oriented growth. Scanning Electron Microscopy (SEM) images reveals uniformly distributed hexagonal ZnO nanorods with average diameter varying from 80 to 250 nm. Average growth rate of the films was estimated using Surface Profilometer which was found to be similar to 1 mu m/h. Optical characterizations were carried out using Photo-spectrometer and Raman spectroscopy. The DSSCs using these ZnO films of nanorods array as photo-electrodes show conversion efficiency ranging from 0.24 to -0.71 \%, the maximum efficiency was obtained for films deposited for time duration 8 h. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Aligned ZnO nanorod growth, Dye sensitized solar cell, Open aqueous solution deposition}, issn = {1567-1739}, doi = {10.1016/j.cap.2010.11.111}, author = {Yengantiwar, Ashish and Sharma, Ramakant and Game, Onkar S. and Banpurkar, Arun G.} } @article { ISI:000309890700003, title = {Heat and mass transfer analysis in air gap membrane distillation process for desalination}, journal = {Membrane Water Treatment}, volume = {2}, number = {3}, year = {2011}, month = {JUL}, pages = {159-173}, publisher = {TECHNO-PRESS}, address = {PO BOX 33, YUSEONG, DAEJEON 305-600, SOUTH KOREA}, abstract = {

The air gap membrane distillation (AGMD) process was applied for water desalination. The main objective of the present work was to study the heat and mass transfer mechanism of the process. The experiments were performed on a flat sheet module using aqueous NaCl solutions as a feed. The membrane employed was hydrophobic PTFE of pore size 0.22 mu m. A mathematical model is proposed to evaluate the membrane mass transfer coefficient, thermal boundary layers{\textquoteright} heat transfer coefficients, membrane/liquid interface temperatures and the temperature polarization coefficients. The mass transfer model was validated by the experimentally and fitted well with the combined Knudsen and molecular diffusion mechanism. The mass transfer coefficient increased with an increase in feed bulk temperature. The experimental parameters such as, feed temperature, 313 to 333 K, feed velocity, 0.8 to 1.8 m/s (turbulent flow region) were analyzed. The permeation fluxes increased with feed temperature and velocity. The effect of feed bulk temperature on the boundary layers{\textquoteright} heat transfer coefficients was shown and fairly discussed. The temperature polarization coefficient increased with feed velocity and decreased with temperature. The values obtained were 0.56 to 0.82, indicating the effective heat transfer of the system. The fouling was observed during the 90 h experimental run in the application of natural ground water and seawater. The time dependent fouling resistance can be added in the total transport resistance.

}, keywords = {AGMD, Desalination, heat transfer coefficient, mass transfer coefficient, temperature polarization coefficient}, issn = {2005-8624}, author = {Pangarkar, Bhausaheb L. and Sane, Mukund G.} } @article { ISI:000296312200066, title = {Helical water chain mediated proton conductivity in homochiral metal-organic frameworks with unprecedented zeolitic unh-topology}, journal = {Journal of the American Chemical Society}, volume = {133}, number = {44}, year = {2011}, month = {NOV}, pages = {17950-17958}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Four new homochiral metal-organic framework (MOF) isomers, [Zn(l-L-Cl)(Cl)](H2O)(2) (1), [Zn(l-L-Br)(Br)]-(H2O)(2) (2), [Zn(d-L-Cl)(Cl)(H2O)(2) (3), and [Zn(d-L-Br)-(Br)] (H2O)(2) (4) [L = 3-methyl-2-(pyridin-4-ylmethylamino)-butanoic acid], have been synthesized by using a derivative of L-/D-valine and Zn(CH3COO)(2)center dot 2H(2)O. A three-periodic lattice with a parallel ID helical channel was formed along the crystallographic c-axis. Molecular rearrangement results in an unprecedented zeolitic unh-toparigy in 1-4. In each case, two lattice water molecules (one H-bonded. to halogen atoms) form a secondary helical continuous water chain inside the molecular helix. MOFs 1 and 2 shows different water adsorption properties and hence different water affinity. The arrangement of water molecules inside the channel Was monitored by variable temperature single crystal X-ray diffraction, which indicated that MOF 1 has a higher water holding capacity than MOF 2. In MOF 1, water escapes. at 80 degrees C, while in T the same happens at a much lower temperature (similar to 40 degrees C). All the MOFs reported here shows reversible crystallization by readily reabsorbing moisture. In MOFs 1 and 2, the frameworks are stable after solvent removal, which is confirmed by a single-crystal to single crystal transformation. MOFs 1 and 3 show high proton conductivity of 4.45 x 10(-5) and 4.42 x 10(-5) S cm(-1), respectively, while 2 and 4 shows zero proton conductivity. The above result is attributed to the fact that MOF 1 has a higher water holding capacity than MOF 2.

}, issn = {0002-7863}, doi = {10.1021/ja2078637}, author = {Sahoo, Subash Chandra and Kundu, Tanay and Banerjee, Rahul} } @article { ISI:000299066700002, title = {Hierarchical mesoporous bio-polymer/silica composites co-templated by trimethyl chitosan and a surfactant for controlled drug delivery}, journal = {Medchemcomm}, volume = {2}, number = {12}, year = {2011}, month = {DEC}, pages = {1162-1166}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this communication, we report the facile synthesis of hierarchical mesoporous bio-polymer/silica composite materials with bimodal mesopores using a dual-template of the cationic N,N,N-trimethyl chitosan (TMCs) and the anionic sodium dodecyl sulfate (SDS) via one-step synthetic strategy. Tetraethoxysilane (TEOS) was used as a silica source. The nitrogen adsorption/desorption measurements and transmission electron microscopy analysis showed the hierarchical structure of the mesoporous bio-polymer/silica composites with bimodal mesopores having an average pore size of 5-7 nm with the visible voids between the silica nanoparticles, which allow the mesoporous bio-polymer/silica composites to encapsulate a large number of guest drug molecules, Ibuprofen (IBU) or 5-fluorouracil (5-FU), due to their high surface area and pore volume. In addition, the mesoporous chitosan-silica composites also had a long term biocompatibility for the target release of the drug molecules to the CEM cells, MCF cells, etc. as well as a pH sensitive controlled release behavior of the drug molecules.

}, issn = {2040-2503}, doi = {10.1039/c0md00222d}, author = {Rana, Vijay Kumar and Park, Sung Soo and Parambadath, Surendran and Kim, Mi Ju and Kim, Sun-Hee and Mishra, Satyendra and Singh, Raj Pal and Ha, Chang-Sik} } @article { ISI:000295617000024, title = {High throughput quantitative analysis of melamine and triazines by MALDI-TOF MS}, journal = {Analytical Methods}, volume = {3}, number = {10}, year = {2011}, month = {OCT}, pages = {2360-2366}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Quantitative and high throughput MALDI MS analysis of symmetrical triazines (s-triazines), and milk contaminated with melamine has been demonstrated. s-Triazines from a multi component aqueous test mixture, and melamine, a known adulterant in milk, were quantified at low parts-per-million (ppm) level using 2,5-dihydroxybenzoic acid (2,5-DHB) as a matrix. Mass spectral peak intensity ratios of the analyte and a suitable internal standard were used for the quantitation. Limit of detection at 20 {\textquoteleft}parts-per- billion{\textquoteright} (nano molar concentration) has been achieved for the s-triazines from the aqueous mixture. Quantitation from MALDI MS peak intensities was validated using LC-PDA and LC-ESI-MS analysis using both spectral peak intensities and areas under the chromatographic curves. Excellent linearity in low ppm concentrations along with good precision and accuracy, all of which were comparable to LC-ESI-MS data, were obtained with the advantage of rapid analysis.

}, issn = {1759-9660}, doi = {10.1039/c1ay05262d}, author = {Singh, Ajeet and Panchagnula, Venkateswarlu} } @article { ISI:000286856600053, title = {Hydrolysis of vegetable oils and fats to fatty acids over solid acid catalysts}, journal = {Applied Catalysis A-General}, volume = {391}, number = {1-2, SI}, year = {2011}, month = {JAN}, pages = {427-435}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Solid Fe-Zn double-metal cyanide (DMC) complexes exhibit high catalytic activity for hydrolysis of edible and non-edible vegetable oils and animal fat. In a batch reaction, complete conversion of vegetable oil triglycerides to fatty acids with selectivity greater than 73 wt\% was obtained at temperatures as low as 463 K, autogenous pressure and with 5 wt\% of catalyst. Catalytic activity of DMC was superior to Amberlyst (TM) 70, SAPO-11, H-beta, HY, MoO(x)/Al(2)O(3) and sulfated zirconia. Rates of hydrolysis were greatly enhanced when solvents (tetrahydrofuran or N,N-dimethylformamide), phase transfer agents (tetrapropyl ammonium bromide) and products (a mixture of mono-/diglycerides and fatty acids) or fatty acid was added to the feed. Surface hydrophobicity which enables high wettability and activation of glycerides on active, acidic sites of reusable DMC is attributed to be the major cause for its superior catalytic activity. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Double-metal cyanide complex, Fat splitting, Fatty acids, Hydrolysis of vegetable oils and fats, solid acid catalyst}, issn = {0926-860X}, doi = {10.1016/j.apcata.2010.03.047}, author = {Satyarthi, J. K. and Srinivas, D. and Ratnasamy, P.} } @article { ISI:000291709500006, title = {Identification of sublattice damages in swift heavy ion irradiated N-doped 6H-SiC polytype studied by solid state NMR}, journal = {Journal of Physical Chemistry B}, volume = {115}, number = {24}, year = {2011}, month = {JUN}, pages = {7766-7772}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We have studied N-doped 6H-SiC in its pristine and Swift Heavy Ion (SHI) irradiated (150 MeV Ag12+ ions) forms by solid state Nuclear Magnetic Resonance (NMR) at 7.01 T using C-13 and Si-29 as probe nuclei under magic angle spinning. We show that increased levels of nitrogen doping, than used before, lead to the observation of Knight shifts emanating from an increase in electron density in the conduction band, which in C-13 far exceed those in Si-29 MAS spectra. We have rationalized the differential effects in the MAS spectra and site-dependent paramagnetic shifts in terms of the nitrogen doping at the A, B, and C lattice sites. N-doping has a profound effect on Si-29 spin-lattice relaxation, and the site-dependent relaxation behavior is attributed to a difference in conduction electron properties at the different lattice sites. Si-29 T-1 measurements serve to identify the sublattice damages in SHI irradiated 6H-SiC. By determining the spin-lattice relaxation rates as a function of the SHI irradiation ion fluences, the change in relaxation behavior is correlated to the damage production mechanism. The sublattice damage leads to discernable changes in the interaction between the mobile unpaired electrons in the conduction band and the nuclear site, which profoundly influence the NMR relaxation properties. Our relaxation studies also provide evidence for site-dependent localized effects and a decrease in carrier spin density in the conduction band for the SHI irradiated 6H-SiC.

}, issn = {1520-6106}, doi = {10.1021/jp201367b}, author = {Viswanathan, E. and Kanjilal, D. and Sivaji, K. and Ganapathy, Subramanian} } @article { ISI:000298662900014, title = {Immobilization of conidiobolus coronatus alkaline protease on waste fungal biomass}, journal = {Environmental Engineering and Management Journal}, volume = {10}, number = {11}, year = {2011}, month = {NOV}, pages = {1727-1732}, publisher = {GH ASACHI TECHNICAL UNIV IASI}, address = {71 MANGERON BLVD, IASI, 700050, ROMANIA}, abstract = {

Alkaline protease from Conidiobolus coronatus which is optimally active at pH 10 and 40 degrees C finds application in leather and detergent industries as well as for recovery of silver from waste photographic films. The protease was immobilized in Ca-alginate, polyacrylamide gel and alkali treated waste fungal biomass (ATWFB). ATWFB was found to be most suitable among the matrices tested. Glutaraldehyde marginally increased the binding to ATWFB. Binding of protease to ATWFB seems to be through adsorption as confirmed by FTIR spectra. Though temperature optima of free and immobilized proteases were identical, optimum pH of the immobilized enzyme shifted to 11 from 10. Temperature stability of the protease increased after immobilization. Immobilized protease could be reused 3 times with marginal loss in activity.

}, keywords = {Alkaline Protease, Conidiobolus coronatus, fungal biomass, Immobilization}, issn = {1582-9596}, author = {Shankar, Shiv and Laxman, Ryali Seeta} } @article { ISI:000284557000009, title = {Incorporation of zirconium in medium-pore aluminophosphate molecular sieves with AFO framework}, journal = {Microporous and Mesoporous Materials}, volume = {137}, number = {1-3}, year = {2011}, month = {JAN}, pages = {65-71}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Zirconium substituted medium pore microporous aluminophosphate molecular sieve ZrAPO-41 was prepared by hydrothermal synthesis under autogenous pressure The formation of the pure phase was confirmed by powder X-ray diffraction (XRD) and scanning electron microscopy (SEM)The thermal behaviour of the material was investigated by carrying out thermogravimetric/differential thermal analysis (TGA/DTA) The zirconium environment was studied by magic-angle spinning nuclear magnetic resonance (MAS NMR) spectroscopy which suggests incorporation of zirconium into the framework UV-Visible diffuse reflectance study also supports the claim The temperature programmed desorption (TPD) of ammonia reveals that the acidity of ZrAPO 41 samples is higher than that of pure AlPO4-41 The catalytic activity of the samples was investigated through phenol hydroxylation reaction The result show hi E her catalytic activity for ZrAPO-41 samples compared to AlPO4-41 (C) 2010 Elsevier Inc All rights reserved

}, keywords = {AFO, Aluminophosphate, catalysis, Molecular sieve, ZrAPO 41}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2010.08.022}, author = {Chakrabortty, Dhruba and Ganguli, J. N. and Satyanarayana, C. V. V.} } @article { ISI:000295403700010, title = {Influence of DMDBS on the morphology and mechanical properties of polypropylene cast films}, journal = {Polymer Engineering and Science}, volume = {51}, number = {10, SI}, year = {2011}, month = {OCT}, pages = {2013-2023}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

We investigate extrusion film casting (EFC) of polypropylene (PP) and examine the effects of varying the concentration of nucleating agent, dimethyl dibenzylidene sorbitol (DMDBS); melt temperature at the die exit; and the draw ratio. Addition of DMDBS increases the PP crystallization temperature, and consequently the PP lamellar repeat spacing. For the draw ratios explored, we do not observe any substantial orientation of iPP crystals for films of neat iPP. However, addition of DMDBS results in the formation of oriented PP crystals, with greater orientation for higher draw ratios. On cooling from the melt, a network of DMDBS nanofibers forms in the PP. We believe that flow-alignment of this DMDBS network templates the orientation of PP crystals. We observe that the tensile modulus and yield stress increase with PP crystal orientation. However, at high DMDBS concentrations (0.8\%), films have poor mechanical strength due to formation of voids and defects. POLYM. ENG. SCI., 51:2013-2023, 2011. (C) 2011 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.21957}, author = {Sreenivas, K. and Pol, Harshawardhan V. and Kumaraswamy, Guruswamy} } @article { ISI:000292989000018, title = {Influence of endophytic fungal elicitation on production of inophyllum in suspension cultures of Calophyllum inophyllum L.}, journal = {Plant Cell Tissue and Organ Culture}, volume = {106}, number = {2}, year = {2011}, month = {AUG}, pages = {345-352}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The influence of dried cell powder and culture filtrates of endophytic fungi on production of inophyllum in cell suspension cultures of leaf- and stem-derived callus of Calophyllum inophyllum was investigated. Two fungi, Nigrospora sphaerica and Phoma spp., endophytic to C. inophyllum, were isolated from leaf tissues, and were identified by both 18S rRNA gene amplification and sequencing. Elicitation of suspension cultures of both callus types of C. inophyllum with dried cell powder and culture filtrates of both fungi consistently elicited production of inophyllum A, B, C, and P. In comparison to stem-derived callus, suspension cultures of leaf-derived callus enhanced production of most inophyllum. Of the four inophyllum studied, the highest production of inophyllum A, C, and P was achieved in elicited suspension cultures of leaf-derived callus. Suspension cultures of stem-derived callus enhanced production only of inophyllum B. When suspension cultures of leaf-derived callus were elicited with 40 mg dried cell powder of Phoma spp., a level of 751-fold (6.84 mg/100 g elicited biomass) of inophyllum A was produced, compared to control. Whereas, a level of 414-fold (6.22 mg/100 g elicited biomass) of inophyllum B was produced when suspension cultures of stem-derived callus were elicited with 20 mg dried cell powder of N. sphaerica. When compared to control, a 10\% culture filtrate of N. sphaerica in suspension cultures of leaf-derived callus elicited inophyllum C and P production by 928-fold (7.43 mg/100 g elicited biomass) and 750-fold (1.5 mg/100 g elicited biomass), respectively.

}, keywords = {Biotic elicitation, Calophyllum inophyllum, Endophytic fungi, Inophyllum, Suspension cultures}, issn = {0167-6857}, doi = {10.1007/s11240-011-9928-4}, author = {Pawar, Kiran D. and Yadav, Amit V. and Shouche, Yogesh S. and Thengane, Shubhada Ratnakar} } @article { ISI:000297940300004, title = {Influence of reactive compatibilization on the structure and properties of PP/LDH nanocomposites}, journal = {Polymer International}, volume = {60}, number = {12}, year = {2011}, month = {DEC}, pages = {1688-1696}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Polypropylene (PP)/layered double hydroxide (LDH) nanocomposites were prepared by the direct melt intercalation method usingmaleic anhydride grafted polypropylene (PP-g-MAH) as a reactive compatibilizer. The compatibilization effects provided by PP-g-MAH in different weight fractions and their influence on the structure and properties of the final nanocomposites were investigated. The interactions and structural morphology of the nanocomposites were examined by Fourier transform infrared spectroscopy, X-ray diffraction and transmission electronmicroscopy. Thermal, mechanical and rheological properties of these nanocomposites were investigated as a function of compatibilizer concentration. The detailed morphological and X-ray diffraction results revealed that the degree of LDH dispersion increases as the amount of PP-g-MAH increases. Study of the linear viscoelastic properties showed that the storage modulus G{\textquoteright} is very sensitive to the microstructure of the nanocomposite. The thermal properties of the nanocomposites were significantly influenced by the weight fraction of PP-g-MAH due to the shielding and nucleating effect of exfoliated layers. Both the tensile strength and modulus showed substantial improvements with increasing PP-g-MAH content, while the elongation at break substantially decreased, although the presence of PP-gMAH somewhat improves these values. The overall results showed that 10 wt\% of compatibilizer is optimum to achieve nanocomposites with better performance. (C) 2011 Society of Chemical Industry

}, keywords = {compatibilization, layered double hydroxides, Nanocomposites, polypropylene, Rheology, thermomechanical properties}, issn = {0959-8103}, doi = {10.1002/pi.3129}, author = {Lonkar, Sunil P. and Therias, Sandrine and Leroux, Fabrice and Gardette, Jean Luc and Singh, Raj Pal} } @article { ISI:000289364600022, title = {Intermolecular benzoyl group transfer reactivity in crystals of racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthobenzoate: controlling reactivity by solvate (pseudopolymorph) formation}, journal = {Crystengcomm}, volume = {13}, number = {9}, year = {2011}, month = {MAY}, pages = {3258-3264}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Racemic 2,6-di-O-benzoyl-myo-inositol 1,3,5-orthobenzoate (rac-3), which usually crystallizes in a monoclinic lattice (Form I, P2(1)/c) from common organic solvents, when crystallized from 2-propanol yielded concomitantly, thin whisker like crystals (Form II, triclinic, P (1) over bar) with inclusion of 2-propanol and water molecules, along with the Form I crystals. Thin fibre-like crystals were also obtained on crystallization from toluene, with inclusion of toluene and water in the crystal lattice (Form III). The Form II and Form III crystals could be converted into the Form I crystals thermally via melt crystallization. Form I crystals exhibit a facile transesterification reaction, but the solvated crystals are unreactive under the same conditions until their transformation to the reactive form. The reactivity patterns of the Form I and Form II crystals correlate well with the molecular organization in them. Since reactivity of the crystals of rac-3 depends on the solvent and the method of crystallization, and the thermal transition of one crystal form to the other, these phase changes can be used as a switch to control the benzoyl transfer reactivity of the constituent molecules in crystals.

}, issn = {1466-8033}, doi = {10.1039/c1ce05054k}, author = {Krishnaswamy, Shobhana and Shashidhar, Mysore S. and Bhadbhade, Mohan M.} } @article { ISI:000285674000014, title = {Investigations of magnetic and dielectric properties of cupric oxide nanoparticles}, journal = {Solid State Communications}, volume = {151}, number = {1}, year = {2011}, month = {JAN}, pages = {55-60}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Cupric oxide nanoparticles of similar to 8-10 nm width and 40-45 nm length self assembled as large particles similar to 1-1 5 mu m have been investigated in the 10-325 K temperature range using magnetic and dielectric measurements In magnetic measurements a single broad peak at similar to 230 K in a zero field cooled sample has been observed Coercivity in magnetization measurements at 10 K suggests that the nanoparticles are core-shell type particles with an antiferromagnetic core and a ferromagnetic shell Dielectric measurements at various frequencies from 3 7 Hz to 949 kHz exhibit a sharp peak at 284 K followed by weak anomalies around 213 and 230 K (C) 2010 Elsevier Ltd All rights reserved

}, keywords = {CuO nanoparticles, Dielectric, Ferroelectric transition, Ferromagnetic}, issn = {0038-1098}, doi = {10.1016/j.ssc.2010.10.024}, author = {Bhalerao-Panajkar, Rohini S. and Shirolkar, Mandar M. and Das, Raja and Maity, Tuhin and Poddar, Pankaj and Kulkarni, S. K.} } @article { ISI:000291804900001, title = {Isolation, identification and optimization of a new extracellular lipase producing strain of rhizopus sp.}, journal = {Applied Biochemistry and Biotechnology}, volume = {164}, number = {7}, year = {2011}, month = {AUG}, pages = {969-978}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

A lipolytic mesophilic fungus which produces lipase extracellularly was isolated from soil. Based on ITS1-5.8S-ITS4 region sequences of ribosomal RNA, it was concluded that the isolate JK-1 belongs to genus Rhizopus and clades with Rhizopus oryzae. The present paper reports the screening, isolation, identification, and optimization of fermentation conditions for the production of lipase (EC 3.1.1.3). Culture conditions were optimized, and the highest lipase production was observed in basal medium with corn steep liquor as nitrogen source and glucose as carbon source. Maximum lipase production was observed at 72 h, which is about 870 U/ml. Optimization of fermentation conditions resulted in 16-fold enhancement in enzyme production.

}, keywords = {Corn steep liquor, Fermentation, ITS region, Lipase, Medium optimization, Rhizopus}, issn = {0273-2289}, doi = {10.1007/s12010-011-9188-0}, author = {Kantak, Jayshree B. and Bagade, Aditi V. and Mahajan, Siddharth A. and Pawar, Shrikant P. and Shouche, Yogesh S. and Prabhune, Asmita} } @article { ISI:000288015800010, title = {Kinetics of hydroformylation of 1-octene in ionic liquid-organic biphasic media using rhodium sulfoxantphos catalyst}, journal = {Chemical Engineering Science}, volume = {66}, number = {8}, year = {2011}, month = {APR}, pages = {1631-1639}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Biphasic hydroformylation of 1-octene was performed using rhodium sulfoxantphos catalyst dissolved in [BuPy][BF(4)] ionic liquid. Preliminary experiments proved this system to retain the catalytic complex within the ionic liquid phase and to maintain a high selectivity towards the linear aldehyde (n:iso ratio of 30) over several cycles. Process parameter investigation showed a first order dependence of the initial rate with respect to the catalyst and 1-octene concentrations, but a more complex behavior with respect to hydrogen (fractional order) and carbon monoxide partial pressures (inhibition at high pressures). Different mathematical models were selected based on the trends observed and evaluated for data fitting. Also, rate models were derived from a proposed mechanism, using Christiansen matrix approach. To calculate concentrations of substrates in the catalytic phase as required by this kinetic modeling, solubility measurements were preformed for the gases (pressure drop technique), as well as for 1-octene and n-nonanal (thermogravimetry analysis). (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Biphasic catalysis, Butylpyridinium tetrafluoroborate, kinetics, Parameter identification, Reaction engineering, solubility}, issn = {0009-2509}, doi = {10.1016/j.ces.2010.12.040}, author = {Deshpande, R. M. and Kelkar, Ashutosh A. and Sharma, A. and Julcour-Lebigue, C. and Delmas, Henri} } @article { ISI:000294237100001, title = {Lanthanum and zinc incorporated hydrotalcites as solid base catalysts for biodiesel and biolubricants production}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {50}, number = {8}, year = {2011}, month = {AUG}, pages = {1017-1025}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

Mg-Al hydrotalcites doped with varying amounts of lanthanum and zinc ions (10 30 mol \%) have been prepared by co-precipitation method and used, after calcination at 873 K, as solid base catalysts for transesterification of soybean oil with methanol (producing biodiesel) and n-octanol (producing biolubricants). The catalyst with 20 mol \% of lanthanum shows the highest transesterification activity (soybean oil conversion = 100 \% and biodiesel yield = 95 \%) at 423 K in 4 h. Catalytic activity varies in proportion with the basicity of the catalysts.

}, keywords = {Biodiesel, Biolubricants, catalysis, Doped hydrotalcites, Hydrotalcites, Lanthanum, Solid base catalysts, transesterification, Vegetable oils, zinc}, issn = {0376-4710}, author = {Rahul, R. and Satyarthi, Jitendra K. and Srinivas, D.} } @article { ISI:000292962900073, title = {Ligand dynamics controlled reverse spin cross over in bis pyrazolyl pyridine based Fe(II) complex cation with metallodithiolato anions with an example of a ferromagnetic 2:1 cocrystal of mixed Ni(III)/Ni(II) oxidation states}, journal = {Inorganica Chimica Acta}, volume = {374}, number = {1, SI}, year = {2011}, month = {AUG}, pages = {586-600}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

We report here the crystal and molecular structures of three compounds [FeL(2)] [Ni(mnt)(2)] (1), [FeL(2)](2) [Ni(mnt)(2)](3)center dot 2H(2)O (2) and [FeL(2)] [Cu(mnt)(2)]center dot 2CH(3)CN (3) where L = 2,6-bis(3,5-dimethylpyrazol-1-ylmethyl) pyridine and mnt = maleonitriledithiolate, and their detailed spectroscopic and magnetic properties using variable temperature Mssbauer, EPR, susceptibility studies, along with room temperature electron spectroscopy for chemical analysis (ESCA) studies. The observed temperature dependant high spin/low spin (HS/LS) ratios of [FeL(2)](2+) cations in these lattices, exhibiting {\textquoteleft}reverse spin cross-over{\textquoteright} measured unequivocally by Mssbauer, have been interpreted as resulting from differing amount of {\textquoteleft}void space{\textquoteright} in the lattice, a measure of the ease of lattice dynamics originating from ligand L. Differential scanning calorimetric data points this HS/LS transition to order-disorder type of second order phase transitions. While trying to test this lattice dynamics controlled property of [FeL(2)](2+) cations an unusual behavior of cocrystallization of two planar complex anions of the same type in two different oxidation states, viz. [Ni(mnt)(2)](2) and [Ni(mnt)(2)] , was observed in [FeL(2)](2+) [Ni(mnt(2))](3), supported by crystallography, ESCA chemical shifts of Ni 2p(3/2) and EPR. The susceptibility data in combination with ESCA chemical shifts of S 2p(3/2) and Ni 2p(3/2) on all the compounds reveal the importance of charge transfer between the two counter ions. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Iron complexes, Magnetism, Reverse-spin crossover, X-ray crystal structures}, issn = {0020-1693}, doi = {10.1016/j.ica.2011.02.081}, author = {Manoharan, Periakaruppan T. and Sambandam, Balaji and Amsarani, Ramamoorthy and Varghese, Babu and Gopinath, Chinnakonda S. and Nomura, Kiyoshi} } @article { ISI:000289518000002, title = {Magnetite/CdTe magnetic-fluorescent composite nanosystem for magnetic separation and bio-imaging}, journal = {Nanotechnology}, volume = {22}, number = {22}, year = {2011}, month = {JUN}, pages = {Article No. 225101}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

A new synthesis protocol is described to obtain a CdTe decorated magnetite bifunctional nanosystem via dodecylamine (DDA) as cross linker. High resolution transmission electron microscopy (HRTEM), energy-dispersive x-ray spectroscopy (EDAX), vibrating sample magnetometry (VSM), Fourier transform infrared spectroscopy (FTIR), diffuse reflectance spectroscopy (DRS) and fluorescence microscopy are used to characterize the constitution, size, composition and physical properties of these superparamagnetic-fluorescent nanoparticles. These CdTe decorated magnetite nanoparticles were then functionalized with anti-epidermal growth factor receptor (EGFR) antibody to specifically target cells expressing this receptor. The EGFR is a transmembrane glycoprotein and is expressed on tumor cells from different tissue origins including human leukemic cell line Molt-4 cells. The magnetite-CdTe composite nanosystem is shown to perform excellently for specific selection, magnetic separation and fluorescent detection of EGFR positive Molt-4 cells from a mixed population. Flow cytometry and confocal laser scanning microscopy results show that this composite nanosystem has great potential in antibody functionalized magnetic separation and imaging of cells using cell surface receptor antibody.

}, issn = {0957-4484}, doi = {10.1088/0957-4484/22/22/225101}, author = {Kale, Anup and Kale, Sonia and Yadav, Prasad and Gholap, Haribhau and Pasricha, Renu and Jog, Jyoti Prakash and Lefez, Benoit and Hannoyer, Beatrice and Shastry, Padma and Ogale, Satishchandra B.} } @article { ISI:000288908100001, title = {Many manifestations of digestive ripening: monodispersity, superlattices and nanomachining}, journal = {New Journal of Chemistry}, volume = {35}, number = {4}, year = {2011}, month = {JAN}, pages = {755-763}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Digestive ripening has now been established as a very convenient route to obtain monodisperse nanoparticles from polydisperse ones by refluxing the latter in the presence of an excess ligand. Many ligands including long chain thiols, amines, or phosphines have been shown to be effective digestive ripening agents. It is hypothesized that the surface active groups of such digestive ripening agents bind and remove reactive surface atoms/clusters from big nanoparticles and redeposit them on smaller nanoparticles. In this way, large particles become smaller, while small particles become larger, and eventually, an equilibrium size is obtained that is specific to each of the digestive ripening agents used. Herein, the digestive ripening procedure is reviewed, discussed and its utility spanning the preparation of monodispersed metal nanoparticles, alloy nanoparticles, superlattice structures and the most interesting nano-machining (wherein the monodisperse particles can be reverted back to the polydisperse system) is demonstrated.

}, issn = {1144-0546}, doi = {10.1039/c0nj00359j}, author = {Sidhaye, Deepti S. and Bhagavatula L. V. Prasad} } @article { ISI:000293993600017, title = {Method to extract intact and pure RNA from mycobacteria}, journal = {Analytical Biochemistry}, volume = {417}, number = {2}, year = {2011}, month = {OCT}, pages = {286-288}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

We describe a high-yielding, simple, and aerosol-free protocol for the isolation of RNA from mycobacteria that does not require sophisticated instruments. The method yielded 50 mu g of RNA from 10(7) cells, 50 times more than a recently reported method. Our method can extract total RNA from aerobically grown bacteria and from in vitro hypoxia-induced dormant bacilli and mycobacteria residing within infected macrophages. (C) 2011 Elsevier Inc. All rights reserved.

}, keywords = {Dormant, Hypoxia, Mycobacteria, RNA isolation, Spheroplast, Trizol}, issn = {0003-2697}, doi = {10.1016/j.ab.2011.06.028}, author = {Akhtar, Shamim and Sarkar, Sampa and Mishra, Abhishek and Sarkar, Dhiman} } @article { ISI:000286904500164, title = {Microbial production of xylitol from D-xylose and sugarcane bagasse hemicellulose using newly isolated thermotolerant yeast Debaryomyces hansenii}, journal = {Bioresource Technology}, volume = {102}, number = {3}, year = {2011}, month = {FEB}, pages = {3304-3308}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A thermotolerant yeast capable of fermenting xylose to xylitol at 40 C was isolated and identified as a strain of Debaryomyces hansenii by ITS sequencing. This paper reports the production of xylitol from D-xylose and sugarcane bagasse hemicellulose by free and Ca-alginate immobilized cells of D. hansenii. The efficiency of free and immobilized cells were compared for xylitol production from D-xylose and hemicellulose in batch culture at 40 degrees C. The maximum xylitol produced by free cells was 68.6 g/L from 100 g/L of xylose, with a yield of 0.76 g/g and volumetric productivity 0.44 g/L/h. The yield of xylitol and volumetric productivity were 0.69 g/g and 0.28 g/L/h respectively from hemicellulosic hydrolysate of sugarcane bagasse after detoxification with activated charcoal and ion exchange resins. The Ca-alginate immobilized D. hansenii cells produced 73.8 g of xylitol from 100 g/L of xylose with a yield of 0.82 g/g and volumetric productivity of 0.46 g/L/h and were reused for five batches with steady bioconversion rates and yields. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Immobilization, Sugarcane bagasse hemicellulose, Thermotolerant Debaryomyces hansenii, xylitol, Xylose}, issn = {0960-8524}, doi = {10.1016/j.biortech.2010.10.074}, author = {Prakash, Gyan and Varma, Anjanikumar and Prabhune, Asmita and Shouche, Yogesh and Rao, Mala} } @article { ISI:000292455700027, title = {Money handling and obesity: a test of the exaptation hypothesis}, journal = {Current Science}, volume = {100}, number = {11}, year = {2011}, month = {JUN}, pages = {1695-1700}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

The food reward centres in the brain play a central role in the regulation of food intake and thereby obesity. In the modern lifestyle, a number of artificial rewards such as money have been introduced and brain areas evolved for handling food rewards appear to be exapted to handle money and other rewards. This implies that the changing behaviour related to these rewards could influence obesity. Considering money as a reward, we conducted a survey of 211 full-time cashiers to test whether ownership over cash, amount of cash handled and duration of cash-handling work correlated with obesity parameters. Body mass index was significantly affected by sex, ownership, amount of money handled and duration of cash-handling service. Waist-to-hip ratio was significantly affected by sex, amount of money handled and marginally by ownership. The results are compatible with the exaptation hypothesis. It is possible that increasing importance of non-food rewards may play a significant role in the obesity epidemic.

}, keywords = {Body weight, economics of obesity, exaptation hypothesis, money handling}, issn = {0011-3891}, author = {Karve, Shraddha and Shurpali, Ketaki and Dahanukar, Neelesh and Paranjape, Sharayu and Jog, Maithili and Belsare, Prajakta and Watve, Milind} } @article { ISI:000292118800013, title = {Morphological changes in nanoparticulate silver films due to electron beam irradiation of polystyrene substrates}, journal = {Nuclear Instruments \& Methods in Physics Research Section B-Beam Interactions With Materials and Atoms}, volume = {269}, number = {13}, year = {2011}, month = {JUL}, pages = {1534-1539}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Results of the studies on the effect of 8 MeV electron beam irradiation of polystyrene substrates on the morphology of silver particulate films deposited at 455 K in a vacuum of 8 x 10(-6) Torr are reported. Optical absorption studies show the presence of transverse and longitudinal plasmon resonance for films deposited on irradiated polystyrene. Scanning electron microscopy reveals a decrease in particle size with smaller inter-particle separation for irradiated films. Larger clusters are formed in the case of films deposited on polystyrene after 300 h of irradiation. In this paper, we show that the morphology of silver nanoparticulate films can be modified by electron irradiation of inert polymer substrates like polystyrene. The change observed due to irradiation is attributed to the formation of free radicals, thereby altering the polymer-metal interaction. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Electron bombardment, Optical properties, Particulate films, Polymers, Silver, surface morphology}, issn = {0168-583X}, doi = {10.1016/j.nimb.2011.04.109}, author = {Pattabi, Manjunatha and Gurumurthy, S. C. and Sanjeev, Ganesh and Gaikwad, A. B.} } @article {42766, title = {Nanoparticles that communicate in vivo to amplify tumour targeting}, journal = {Nature Materials}, volume = {10}, year = {2011}, month = {JUL}, pages = {545-552}, doi = {10.1038/NMAT3049}, author = {von Maltzahn, Geoffrey and Park, Ji-Ho and Lin, Kevin Y. and Singh, Neetu and Schwoeppe, Christian and Mesters, Rolf and Berdel, Wolfgang E. and Ruoslahti, Erkki and Sailor, Michael J. and Bhatia, Sangeeta N.} } @article {42716, title = {New CNN-type ruthenium pincer NHC complexes. synthesis and catalytic activity. mild, efficient hydrogenation of esters}, journal = {Organometallics}, volume = {30}, year = {2011}, month = {JUN}, pages = {3826{\textendash}3833}, abstract = {

New pincer ruthenium complexes (2{\textendash}6) based on the new bipyridine-NHC ligand 1 were prepared and studied, resulting in an efficient catalytic hydrogenation of esters to the corresponding alcohols under mild conditions. Reaction of the ligand 1 with RuH(Cl)CO(PPh3)3, followed by reaction with one equivalent of the base KHMDS, gave the mixed phosphine-NHC complex 2, incorporating a C{\textendash}H-activated bipyridine ligand. Complex 2 has an octahedral structure containing two phosphorus atoms trans to each other, a hydride trans to the NHC ligand, and CO trans to the C{\textendash}H-activated carbon of the bipyridine ligand. Using the precursor complex Ru(p-cymene)Cl2(CO), reaction with 1 followed by treatment of the intermediate product with one equivalent of KHMDS resulted in formation of the dichloride pincer complexes 3a and 3b, which are in equilibrium, as indicated by variable-temperature 1H NMR. Complex 3a is an octahedral, neutral, and symmetric complex with the CO ligand positioned trans to the central pyridine group of the pincer ligand and the two chlorides trans to each other, as indicated by single-crystal X-ray diffraction. Complex 3b is cationic, with an outer-sphere chloride. Reaction of the NHC ligand 1 with LiHMDS at low temperature followed by addition of RuH(Cl)CO(PPh3)3 resulted in the mixed phosphine-NHC complex 4, which has an octahedral structure containing phosphorus trans to the hydride, a CO trans to the NHC ligand, and an outer-sphere chloride. Chloride substitution by BArF{\textendash} gave the X-ray-characterized complex 5. Deprotonation of complex 4 with KHMDS resulted in formation of the dearomatized complex 6. The in situ prepared 6 (from complex 4 and an equivalent of base) is among the best catalysts known for the hydrogenation of nonactivated esters to the corresponding alcohols under mild conditions.

}, doi = {10.1021/om200367j}, author = {Fogler, Eran and Balaraman, Ekambaram and Ben-David, Yehoshoa and Leitus, Gregory and Shimon, Linda J. W. and Milstein, David} } @article { ISI:000294500600079, title = {Novel application of a Fe-Zn double-metal cyanide catalyst in the synthesis of biodegradable, hyperbranched polymers}, journal = {Chemical Communications}, volume = {47}, number = {37}, year = {2011}, month = {AUG}, pages = {10449-10451}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The use of Fe-Zn double-metal cyanide as a solid catalyst for synthesizing biodegradable, hyperbranched polymers from diacids and glycerol has been reported, for the first time, wherein acidity, micro-mesoporosity and hydrophobicity of the catalyst played an important role in controlling gelation.

}, issn = {1359-7345}, doi = {10.1039/c1cc13443d}, author = {Sebastian, Joby and Srinivas, Darbha} } @article { ISI:000292113700065, title = {Novel catalyst-free synthesis of vertically aligned silicon nanowire-carbon nanotube heterojunction arrays for high performance electron field emitters}, journal = {Chemical Communications}, volume = {47}, number = {27}, year = {2011}, month = {JUN}, pages = {7785-7787}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel, catalyst-free strategy for the direct synthesis of vertically aligned silicon nanowire-carbon nanotube (SiNW-CNT) heterojunction arrays is presented. Such a heterojunction with the junction area in the nanoscale displays enhanced field emission characteristics at low turn-on field, with a nearly three times increase in the field enhancement factor.

}, issn = {1359-7345}, doi = {10.1039/c1cc12243f}, author = {Kale, Vinayak S. and Sathe, Bhaskar R. and Kushwaha, Ajay and Aslam, Mohammed and Shelke, Manjusha V.} } @article { ISI:000293168000044, title = {Novel hybrids of fluconazole and furanones: design, synthesis and antifungal activity}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {21}, number = {16}, year = {2011}, month = {AUG}, pages = {4873-4878}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

During our efforts to develop new antifungal agents, a number of hybrid molecules containing furanones and fluconazole pharmacophores were designed and synthesized. The new chemical entities thus synthesized were tested for their potential as antifungal agents against various fungal strains and it was observed that the compounds with general structure 7 were potent inhibitors of Candida albicans ATCC 24433, Candida glabrata ATCC 90030, Candida tropicalis ATCC 750 and Candida neoformans ATCC 34664 while the fluconazole analogues 12 exhibited antifungal activity against Candida albicans ATCC 24433 and Candida glabrata ATCC 90030. The structure-activity relationship for these compounds is discussed. The synthetic strategies used in the present work have potential to prepare a large number of compounds for further refinement of structures to obtain molecules suitable for development as antifungal drugs. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Antifungal activity, Fluconazole, Furanones}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2011.06.022}, author = {Borate, Hanumant B. and Sawargave, Sangmeshwer P. and Chavan, Subhash P. and Chandavarkar, Mohan A. and Iyer, Ramki and Tawte, Amit and Rao, Deepali and Deore, Jaydeep V. and Kudale, Ananada S. and Mahajan, Pankaj S. and Kangire, Gopinath S.} } @article {43203, title = {Novel pyrazole-3-carboxamide derivatives as cannabinoid-1 (CB1) antagonists: journey from non-polar to polar amides}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {21}, year = {2011}, month = {JAN}, pages = {562-568}, abstract = {The synthesis and biological evaluation of novel pyrazole-3-carboxamide derivatives as CB1 antagonists are described. As a part of eastern amide SAR, various chemically diverse motifs were introduced. In general, a range of modifications were well tolerated. Several molecules with high polar surface area were also indentified as potent CB1 receptor antagonists. The in vivo proof of principle for weight loss is exemplified with a lead compound from this series. (C) 2010 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.bmcl.2010.10.055}, author = {Sasmal, Pradip K. and Reddy, D. Srinivasa and Talwar, Rashmi and Venkatesham, B. and Balasubrahmanyam, D. and Kannan, M. and Srinivas, P. and Kumar, K. Shiva and Devi, B. Neelima and Jadhav, Vikram P. and Khan, Sanjoy K. and Mohan, Priya and Chaudhury, Hira and Bhuniya, Debnath and Iqbal, Javed and Chakrabarti, Ranjan} } @article { ISI:000287951200008, title = {Novel screening method based on menadione mediated rapid reduction of tetrazolium salt for testing of anti-mycobacterial agents}, journal = {Journal of Microbiological Methods}, volume = {84}, number = {2}, year = {2011}, month = {FEB}, pages = {202-207}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A microplate-based rapid, inexpensive and robust technique is developed by using tetrazolium salt 2, 3-bis [2-methyloxy-4-nitro-5-sulfophenyl]-2H-tetrazolium-5-carboxanilide (XTT) and menadione to determine the viability of Mycobacterium tuberculosis, Mycobacterium bovis BCG and Mycobacterium smegmatis bacilli in microplate format. In general, XTT reduction is an extremely slow process which takes almost 24 h to produce a detectable signal. Menadione could drastically induce this reduction to an almost equal extent within a few minutes in a dose dependent manner. The reduction of XTT is directly proportional to the cell concentration in the presence of menadione. The standardized protocol used 200 mu M of XTT and 60 mu M of menadione in 250 mu l of cell suspension grown either in aerobic or anaerobic conditions. The cell suspension of M. bovis BCG and M. tuberculosis were incubated for 40 min before reading the optical density at 470 nm whereas M. smegmatis was incubated for 20 min. Calculated Signal/Noise (S/N) ratios obtained by applying this protocol were 5.4, 6.4 and 9.4 using M. bovis BCG. M. tuberculosis and M. smegmatis respectively. The calculated Z{\textquoteright} factors were \> 0.8 for all mycobacterium bacilli indicating the robustness of the XTT Reduction Menadione Assay (XRMA) for rapid screening of inhibitors. The assay protocol was validated by applying 10 standard anti-tubercular agents on M. tuberculosis, M. bovis BCG and M. smegmatis. The Minimum Inhibitory Concentration (MIC) values were found to be similar to reported values from Colony Forming Unit (CFU) and REMA (resazurin microplate assay) assays. Altogether. XRMA is providing a novel anti-tubercular screening protocol which could be useful in high throughput screening programs against different physiological stages of the bacilli. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Menadione, Mycobacterium tuberculosis, Tetrazolium salt, XRMA}, issn = {0167-7012}, doi = {10.1016/j.mimet.2010.11.013}, author = {Singh, Upasana and Akhtar, Shamim and Mishra, Abhishek and Sarkar, Dhiman} } @article { ISI:000298175400132, title = {Novel synthesis of nano-calcium carbonate (CaCO3)/polystyrene (PS) core-shell nanoparticles by atomized microemulsion technique and its effect on properties of polypropylene (PP) composites}, journal = {Polymers for Advanced Technologies}, volume = {22}, number = {12}, year = {2011}, month = {DEC}, pages = {2571-2582}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Calcium carbonate (CaCO3)/polystyrene (PS) nanoparticles (\< 100 nm) with core-shell structure were synthesized by atomized microemulsion technique. The polymer chains were anchored onto the surface of nano-CaCO3 through triethoxyvinyl silane (TEVS) as a coupling agent. Ammonium persulfate (APS), sodium dodecyl sulfate (SDS) and n-pentanol were used as initiator, surfactant, and cosurfactant, respectively. Polymerization mechanism of core-shell latex particles was discussed. Encapsulation of nano-CaCO3 by PS was confirmed by using transmission electron microscope (TEM). Grafting percentage of core-shell particles was investigated by Thermogravimetric Analyzer (TGA). Nano-CaCO3/PS core-shell particles were characterized by Fourier transform infrared (FTIR) spectrophotometer and differential scanning calorimeter (DSC). The results of FTIR revealed existence of a strong interaction at the interface of nano-CaCO3 particle and PS, which implies that the polymer chains were successfully grafted onto the surface of nano-CaCO3 particle through the link of the coupling agent. In addition, TGA and DSC results indicated an enhancement of thermal stability of core-shell materials compared with the pure nano-PS. Nano-CaCO3/PS particles were blended with polypropylene (PP) matrix on Brabender Plastograph by melt process with different wt\% of loading (i.e. 0.1-1 wt\%). The interfacial adhesion between nano-CaCO3 particles and PP matrix was significantly improved when the nano-CaCO3 particles were grafted with PS, which led to increased thermal, rheological, and mechanical properties of (nano-CaCO3/PS)/PP composites. Scanning electron microscope (SEM) and atomic force microscope (AFM) images showed a perfect dispersion of the nano-CaCO3 particles in PP matrix. Copyright (C) 2011 John Wiley \& Sons, Ltd.

}, keywords = {atomized microemulsion, core-shell nanoparticles, mechanical properties, polypropylene (PP), Rheological properties, Thermal properties}, issn = {1042-7147}, doi = {10.1002/pat.1802}, author = {Mishra, Satyendra and Chatterjee, Aniruddha and Singh, RajPal} } @article {43371, title = {One pot and single step hydrolytic process for the conversion of lignocellulose into value added chemicals}, number = {PCT/IN2010/000047}, year = {2011}, month = {AUG}, abstract = {The present invention provides a single step hydrolytic process for the conversion of lignocellulose, into value added chemicals wherein said process is catalyzed by at least one heterogeneous solid acid catalyst selected from a group comprising of zeolites, zeolites with Si/metal, mesoporous silica, oxides and phosphates, clays, ion-exchange resins, heteropolyacids, various sulfates, phosphates, selenates, crystalline materials and amorphous materials.}, author = {Dhepe, Paresh Laxmikant and Sahu, Ramakanta} } @article { ISI:000289600300032, title = {One-step in situ synthesis of NHx-adsorbed rhodium nanocrystals at liquid-liquid interfaces for possible electrocatalytic applications}, journal = {Journal of Colloid and Interface Science}, volume = {358}, number = {1}, year = {2011}, month = {JUN}, pages = {238-244}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Nearly monodisperse rhodium nanoparticles with adsorbed NHx were synthesized at the CCl4-water interface. The presence of NHx-adsorbed species was confirmed by energy-dispersive X-ray analysis (EDX) and X-ray photoelectron spectroscopy (XPS) studies. The synthesis of controlled size 2-38 nm rhodium particles was studied as a function of reducing agent concentration by transmission electron microscopy (TEM). HRTEM confirmed the formation of rhodium nanoparticles having fringe spacing consistent with reported Rh (1 1 1) planes. The continuity of these films over an area of 1 x 1 pm was revealed by atomic force microscopy (AFM) studies. The electrocatalytic application of these nanostructure Rh-NHx), thin films for formaldehyde oxidation in 0.5 M NaOH was investigated by cyclic voltammetry. The Rh nanoparticles formed by the present strategy are expected to be useful for other catalytic applications also. (C) 2011 Elsevier Inc. All rights reserved.

}, keywords = {Hydrazine hydrate, Liquid-liquid interface, Nanoparticles, Rhodium, Thin films}, issn = {0021-9797}, doi = {10.1016/j.jcis.2011.02.065}, author = {Patil, V. S. and Krishna, S. R. and Hawaldar, Ranjit R. and Gaikwad, A. B. and Sathaye, S. D. and Patil, K. R.} } @article { ISI:000295552400021, title = {One-step synthesis of 4-alkyl-3-aryl-2,6-dicyanoanilines and their use in the synthesis of highly functionalized 2,3,5,6,7-and 2,3,4,5,7-substituted indoles}, journal = {Tetrahedron Letters}, volume = {52}, number = {42}, year = {2011}, month = {OCT}, pages = {5491-5493}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A three-component, one-step method for the synthesis of 4-alkyl-3-aryl-2,6-dicyanoanilines involving reaction of alkyl aldehyde, malononitrile and aryl aldehyde in presence of morpholine is reported. Highly functionalized 2,3,5,6,7- and 2,3,4,5,7-substituted indoles were prepared from these dicyanoanilines by reaction with ethyl bromoacetate. These substituted dicyanoanilines and indoles have a potential to be converted into various other compounds taking advantage of various functional groups present in these molecules. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {aldehydes, Dicyanoanilines, indoles, Malononitrile}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.08.064}, author = {Sawargave, Sangmeshwer P. and Kudale, Ananada S. and Deore, Jaydeep V. and Bhosale, Dattatry S. and Divse, Jaisingh M. and Chavan, Subhash P. and Borate, Hanumant B.} } @article { ISI:000293288500004, title = {Ordered mesoporous silica as supports in the heterogeneous asymmetric catalysis}, journal = {Catalysis Surveys from Asia}, volume = {15}, number = {3}, year = {2011}, month = {SEP}, pages = {200-214}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Enantioselective synthesis of organic compounds has been studied by homogeneous catalysts for several years. However, these catalysts have yet to make a significant impact on industrial scales for fine chemical synthesis. A primary reason is the designing of a homogeneous asymmetric catalyst, which requires relatively bulky ligands and catalyst recovery and recycling often causes problems. One of the convincing ways to overcome this problem is to immobilise the asymmetric catalyst onto a solid support and the resulting heterogeneous asymmetric catalyst system can, in principle, be readily re-used. A large number of supports such as inorganic oxides including zeolites, alumina, zirconia, silica and organic polymers have been employed as supports in heterogeneous asymmetric catalysis. Therefore, in this review article we have summarized the work done by us in our laboratory on the immobilization of chiral transition metal complexes such as Ru, Ir, Mn and Ti onto ordered mesoporous silica and its asymmetric catalysis. All these immobilized catalysts were well characterized by different physicochemical techniques to confirm the structural retention of the support as well as the active metal complex after immobilization. This report includes our asymmetric catalytic investigations in enantioselective reactions such as hydrogenation of ketones, olefins, oxidation of sulfides and oxidative kinetic resolution of alcohols and sulfoxides through immobilized heterogeneous catalyst systems.

}, keywords = {Enantioselective hydrogenation, Enantioselective oxidation, Immobilization, Mesoporous silica, Oxidative kinetic resolution}, issn = {1571-1013}, doi = {10.1007/s10563-011-9122-z}, author = {Sahoo, Suman and Bordoloi, Ankur and Halligudi, Shivaraj B.} } @article { ISI:000295000900025, title = {Oxidative dehydrogenation of ethylbenzene using nitrous oxide over vanadia-magnesia catalysts}, journal = {Catalysis Science \& Technology}, volume = {1}, number = {7}, year = {2011}, month = {AUG}, pages = {1262-1270}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of V-Mg-O catalysts with different loadings of vanadia were prepared by the wet impregnation method and the effect of the local structure of these catalysts on the oxidative dehydrogenation of ethylbenzene with N(2)O was investigated. High styrene selectivity (similar to 97\%) was obtained at 773 K. The characterization of catalysts with methods such as XRD, FTIR, UV-visible, TPR, NMR and Laser Raman spectroscopy suggested that magnesium orthovanadate is the predominant vanadium containing phase and the size of the orthovanadate domains increases with increasing vanadia loading. The rate of ODH of ethylbenzene per V atom increases with vanadia loading and reaches a maximum at 10 wt\%. The specific activity, i.e. the conversion of ethylbenzene per unit surface area of the catalysts, also exhibited a maximum at a vanadia loading of 10 wt\% leading to the conclusion that activity of these catalysts is due to the presence of very small domains of Mg(3)(VO(4))(2) on the surface of MgO rather than crystallites of bulk Mg(3)(VO(4))(2). The higher styrene yield in the presence of N(2)O can be ascribed to the ability of N(2)O to keep vanadium species at a higher oxidation state.

}, issn = {2044-4753}, doi = {10.1039/c1cy00168j}, author = {Shiju, N. Raveendran and Anilkumar, Mettu and Gokhale, S. P. and Rao, B. Seshagiri and Satyanarayana, C. V. V.} } @article { ISI:000289028500081, title = {Phase separation of DMDBS from PP: effect of polymer molecular weight and tacticity}, journal = {Macromolecules}, volume = {44}, number = {7}, year = {2011}, month = {APR}, pages = {2358-2364}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report an unexpected dependence of DMDBS phase separation temperature on the molecular weight of the matrix isotactic polypropylene (iPP). DMDBS crystallizes out at lower temperatures for iPP with decreasing molecular weight (and correspondingly lower tacticity). All the iPPs in our study are reasonably high molecular weight samples and there is no molecular weight dependence of their solubility parameter. Therefore, the decrease in DMDBS phase separation temperature for lower molecular weights cannot be rationalized using thermodynamic arguments. This molecular weight dependence appears to be unique to isotactic polypropylene and is not observed for either syndiotactic polypropylene or for random copolymers of isotactic polypropylene containing ethylene comonomer.

}, issn = {0024-9297}, doi = {10.1021/ma200035s}, author = {Sreenivas, K. and Basargekar, Rajeev and Kumaraswamy, Guruswamy} } @article { ISI:000296195400018, title = {Phosphine-mediated synthesis of 1,4-oxazepine- and 1,5-oxazocine-based sugar hybrids from deoxysugar azides}, journal = {Synthesis-Stuttgart}, volume = {21}, number = {21}, year = {2011}, month = {NOV}, pages = {3523-3529}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

An efficient and convenient method was developed for the synthesis of novel 1,4-oxazepine- and 1,5-oxazocine-based sugar hybrids from readily available deoxysugar azides by means of tributylphosphine-mediated tandem reactions. The resulting glycoconjugates might be useful in increasing the diversity of sugar backbones, and could find applications as potential glycomimetics and in drug discovery.

}, keywords = {Alkynes, azides, carbohydrates, heterocycles, oxazepines, oxazocines, Tandem reactions}, issn = {0039-7881}, doi = {10.1055/s-0030-1260218}, author = {Kurhade, Suresh E. and Salunkhe, Videsh T. and Siddaiah, V. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article {42719, title = {Photocatalytic splitting of CS2 to a carbon-sulfur polymer and S8 catalyzed by a bimetallic ruthenium(II) compound with a tertiary amine binding site - towards photocatalytic splitting of CO2?}, journal = {Inorganic Chemistry}, volume = {50}, year = {2011}, month = {OCT}, pages = {11273{\textendash}11275}, abstract = {

The catalytic photocleavage of CS2 to S8 and a (CxSy)n polymer with visible light using a dinuclear ruthenium(II) compound with a bipyridine units for photoactivity and a vicinal tertiary amine binding site for CS2 activation was studied. The catalyst was characterized by X-ray diffraction, 1H NMR, and 13C NMR, ESI-MS and elemental analysis. CS2 photocleavage was significant (240 turnovers, 20 h) to yield isolable S8 and a (CxSy)n polymer. A mononuclear catalyst or one without an amine binding site showed significantly less activity. XPS of the (CxSy)n polymer showed a carbon/sulfur ratio \~{}1.5{\textendash}1.6 indicating that in part both C{\textendash}S bonds of CS2 had been cleaved. Catalyst was also included within the polymer. The absence of peaks in the 1H NMR verified the (CxSy)n nature of the polymer, while 13C NMR and IR indicated that the polymer had multiple types of C{\textendash}S and C{\textendash}C bonds.

}, doi = {10.1021/ic2008045}, author = {Livanov, Konstantin and Madhu, Vedichi and Balaraman, Ekambaram and Shimon, Linda J. W. and Diskin-Posner, Yael and Neumann, Ronny} } @article { ISI:000291605900010, title = {Polyamides containing quinoxaline moiety}, journal = {Journal of Polymer Research}, volume = {18}, number = {4}, year = {2011}, month = {JUL}, pages = {549-557}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A new quinoxaline moiety containing aromatic diamine; 2,3-bis[4-(4-aminophenoxy)phenyl]quinoxaline (APQ) was synthesized starting from 4-methoxybenzaldehyde and was characterized by IR, (1)H, (13)C NMR and Mass spectrometry. Five new polyamides were synthesized by polycondensation of various aliphatic diacid / aromatic diacids namely, azelaic acid, bis(4-carboxyphenyl)dimethylsilane, 4,4{\textquoteright}-oxybis(benzoicacid), isophthalic acid and terephthalic acid with APQ by Yamazaki{\textquoteright}s phosphorylation method using triphenyl phosphite as condensing agent. The polyamides were characterized by IR spectroscopy, solubility tests, inherent viscosity, X-ray diffraction technique, differential scanning colorimetry and thermogravimetric analysis. The polyamides had inherent viscosities in the range 0.39-0.45 dL/g in N, N-dimethylacetamide at 30 +/- 0.1 A degrees C. The polyamides were soluble in polar aprotic solvents such as N, N-dimethylacetamide, N, N-dimethylformamide, dimethylsulfoxide, N-methylpyrrolidone. X-Ray diffraction studies showed that polyamides were amorphous in nature. The polyamides showed glass transition temperatures in the range 104-205 A degrees C, according to differential scanning calorimetry. Thermogravimetric analysis exhibited initial decomposition temperatures above 348 A degrees C; indicating that these polyamides possessed excellent thermal stability.

}, keywords = {polyamides, Quinoxaline, solubility, Thermal properties, XRD}, issn = {1022-9760}, doi = {10.1007/s10965-010-9448-7}, author = {Patil, Vidyadhar B. and Sayyed, Maheboob M. and Mahanwar, Prakash A. and Wadgaonkar, Prakash P. and Maldar, Noormahamad N.} } @article { ISI:000293849200017, title = {Poly(ether ether ketone)s and poly(ether ether ketone ketone)s containing cardo decahydronaphthalene groups: synthesis and characterization}, journal = {Journal of Applied Polymer Science}, volume = {122}, number = {3}, year = {2011}, month = {NOV}, pages = {1607-1613}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

New poly(ether ether ketone)s and poly (ether ether ketone ketone) s were synthesized by polycondensation of each of the three bisphenols, viz., 4,4{\textquoteright}-(octahydro-2(1H)-naphthylidene) bisphenol, 4,4{\textquoteright}-(octa-hydro-2(1H)-naphthylidene) bis-3-methylphenol, and 4,4{\textquoteright}(octahydro-2(1H)-naphthylidene) bis-3,5-dimethylphenol with 4,4{\textquoteright}-difluorobenzophenone and 1,3-bis(4-fluorobenzoyl) benzene in a mixture of N,N-dimethylacetamide and toluene [1 : 1 (v/v)] in the presence of anhydrous potassium carbonate. Inherent viscosities of poly(ether ether ketone) s and poly (ether ether ketone ketone) s were in the range 0.32-0.80 dL/g and number-average molecular weights were in the range 16,100-55,900 g/mol. Poly(ether ether ketone) s and poly(ether ether ketone ketone) s were soluble in organic solvents such as dichloromethane, chloroform, tetrahydrofuran, meta-cresol, pyridine, and 1-methyl-2-pyrrolidinone at room temperature and could be cast into tough, transparent, and flexible films from their chloroform solutions. Wide angle x-ray diffraction measurements revealed the amorphous nature of poly(ether ether ketone) s and poly (ether ether ketone ketone) s. The glass transition temperature poly(ether ether ketone) s and poly(ether ether ketone ketone) s were in the range 185-251 degrees C. The temperature at 10\% weight loss, determined from thermogravimetric analysis, of poly(ether ether ketone) s and poly(ether ether ketone ketone) s in nitrogen atmosphere was in the range 462-493 degrees C indicating their good thermal stability. (C) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 122: 1607-1613, 2011

}, keywords = {bisphenol, cardo decahydronaphthalene, poly(ether ether ketone ketone)s, poly(ether ether ketone)s, Polycondensation, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.33921}, author = {Honkhambe, Pandurang N. and Pasale, Sharad K. and Bhairamadgi, Nagendra S. and Kumbhar, Kishor P. and Salunkhe, Manikrao M. and Wadgaonkar, Prakash P.} } @article { ISI:000291393900002, title = {Polymerization of ethylene to branched poly(ethylene)s using ansa-eta(5)-monofluorenyl cyclohexanolato zirconium(IV) complex/methylaluminoxane}, journal = {Polymer Bulletin}, volume = {67}, number = {3}, year = {2011}, month = {JUL}, pages = {383-399}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

ansa-eta(5)-Monofluorenyl cyclohexanolato zirconium complex 3 was shown to be active for the polymerization of ethylene when activated with methylaluminoxane (MAO) at 5 bar. Up to a polymerization temperature of 40 A degrees C, 3/MAO resulted in linear poly(ethylene)s with saturated chain ends. However, at polymerization temperatures of 60, 80, and 100 A degrees C, a mixture of branched poly(ethylene)s, linear alpha-olefins and long chain alkanes was obtained. The poly(ethylene)s produced at 80 and 100 A degrees C exhibited a bimodal molecular weight distribution indicative of multiple active species. Very high molecular weight (M (v) \> 5 x 10(5)) linear poly(ethylene)s were obtained using 3/MAO at 25 A degrees C.

}, keywords = {ansa-Monofluorenyl complex, Bimodal MWD, Branched poly(ethylene)s, Ethylene polymerization, Methyl aluminoxane}, issn = {0170-0839}, doi = {10.1007/s00289-010-0387-6}, author = {Rajesh, A. and Sivaram, S.} } @article { ISI:000295403700018, title = {Polymerization of ethylene using amido functional half-sandwich complexes of group 4 metals}, journal = {Polymer Engineering and Science}, volume = {51}, number = {10, SI}, year = {2011}, month = {OCT}, pages = {2103-2108}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Ligands (C(13)H(9))(2,6-R(2)C(6)H(3)NH)SiPh(2) [R = (i)Pr (2a), Me (2b)] were synthesized by single deprotonation of the amino group in 2,6-dialkylanilines with n-BuLi at -78 degrees C followed by reaction with fluorenyl diphenyl silyl chloride [FluSi(Ph(2))Cl]. Single crystal X-ray diffraction studies revealed different geometries around the nitrogen atom for the two compounds. Titanium and zirconium complexes (3a-3d) were prepared by double deprotonation of the ligands with n-butyl lithium (n-BuLi) followed by reaction with the respective metal chlorides, MCl(4) (THF)(2). Polymerization of ethylene was performed using these complexes as catalyst precursors along with methylaluminoxane (MAO) as an activator at 5 bar pressure. Complexes 3a-3d/MAO exhibited moderate catalyst activities for polymerization of ethylene and resulted in high molecular weight linear poly(ethylene)s (M(v) \> 4 3 10(5) g/mol). Catalyst activities were much lower when compared to similar N-alkyl substituted complexes presumably due to the resonance effect of the aromatic group on the amido nitrogen. POLYM. ENG. SCI., 51:2103-2108, 2011. (C) 2011 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.22132}, author = {Rajesh, A. and Sivaram, S.} } @article { ISI:000287092000035, title = {Porosity driven photocatalytic activity of wormhole mesoporous TiO2-xNx in direct sunlight}, journal = {Journal of Materials Chemistry}, volume = {21}, number = {8}, year = {2011}, month = {JAN}, pages = {2639-2647}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Results obtained by combining four important factors simultaneously, namely, wormhole mesoporosity with low diffusion length for charge carriers, high surface area, nanoparticles with high crystallinity, and visible light absorption due to N-doping, in titania (meso-TiO2-xNx) are reported. Meso-TiO2-xNx materials have been prepared by a combustion method within 10 min and by varying urea : Ti(NO3)(4) between 1 (UT1) and 10 (UT10). All of the prepared materials have been thoroughly characterised. Nanocrystalline anatase phase with high surface area (234 m(2) g(-1)), and type-IV H-3-mesoporosity is observed with UT10. Photocatalytic rhodamine-B degradation was employed to screen for the activity of the materials, and p-anisyl alcohol oxidation to p-anisaldehyde was carried out successfully in aqueous solution under direct sunlight. High photocatalytic activity of UT10 in direct sunlight, in spite of high band gap (3.24 eV), is attributed to the better utilization of holes due to the low charge diffusion barrier associated with wormhole mesoporosity along with highly crystalline, however, nanoparticulate TiO2-xNx.

}, issn = {0959-9428}, doi = {10.1039/c0jm03825c}, author = {Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S.} } @article { ISI:000297352000112, title = {Preparation and characterization of magnetic nanoparticles embedded in hydrogels for protein purification and metal extraction}, journal = {Journal of Polymer Research}, volume = {18}, number = {6}, year = {2011}, note = {International Conference on Advances in Polymer Technology, Cochin Univ Sci \& Technol, Cochin, INDIA, FEB 26-27, 2010}, month = {NOV}, pages = {2285-2294}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The present work involves the development of hydrogel magnetic nanocomposites for protein purification and heavy metal extraction applications. The magnetic nanoparticles (MNPs) were prepared in situ in poly(acrylamide)-gum acacia (PAM-GA) hydrogels. The formation of magnetic nanoparticles in the hydrogel networks was confirmed by Fourier transform infrared (FTIR) spectroscopy and X-ray diffraction (XRD). Scanning electron (SEM) microscopy studies revealed the formation of MNPs throughout the hydrogel networks. The average size of MNPs formed in the hydrogel networks was 3-5 nm as determined by transmission electron microscopy (TEM). The thermal properties of the hydrogel magnetic nanocomposites were evaluated by dynamic scanning calorimetry (DSC) and thermogravimetric (TG) analysis. The magnetic properties of the developed hydrogel magnetic nanocomposites were determined by a vibrating sample magnetometer (VSM). The swelling properties of the hydrogel and the hydrogel magnetic nanocomposites were studied in detail. The hydrogel magnetic nanocomposites are utilized for the removal of toxic metal ions such as Co(II), Ni(II), and Cu(II) and for protein purification. The results confirm that the hydrogel magnetic nanocomposites exhibit superior extraction properties to hydrogels.

}, keywords = {Bioseparation, Hydrogel, magnetic properties, Metal absorption, Nanocomposite}, issn = {1022-9760}, doi = {10.1007/s10965-011-9642-2}, author = {Nagireddy, Narayana Reddy and Yallapu, Murali Mohan and Kokkarachedu, Varaprasad and Sakey, Ravindra and Kanikireddy, Vimala and Alias, Joy Pattayil and Konduru, Mohana Raju} } @article { ISI:000294122000044, title = {Propargyl/methyl furanosides as potential glycosyl donors}, journal = {Chemical Communications}, volume = {47}, number = {35}, year = {2011}, month = {AUG}, pages = {9906-9908}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Transfuranosylations are not well studied though many similar studies exist for transpyranosylation; herein, we report that propargyl/methyl D-ribf- and D-lyxf- give only 1,2-trans glycosides whereas D-araf- and D-xylf- result in a mixture of 1,2-trans and 1,2-cis glycosides; observed facts are rationalised by computational studies.

}, issn = {1359-7345}, doi = {10.1039/c1cc13134f}, author = {Vidadala, Srinivasa Rao and Gayatri, Gaddamannugu and Sastry, G. Narahari and Hotha, Srinivas} } @article { ISI:000292472400016, title = {Protecting group directed stereoselective reduction of an epi-inosose: efficient synthesis of epi-inositol}, journal = {Tetrahedron Letters}, volume = {52}, number = {29}, year = {2011}, month = {JUL}, pages = {3756-3758}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A facile and high yielding synthesis of epi-inositol via stereoselective reduction of a pentaprotected epi-inosose is reported. Extent of stereoselectivity during the hydride reduction appears to depend on the ability of the substrate to complex with metal ions in the reducing agent. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Cyclitol, Inositol, Polyol, reduction, Stereoselective}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.05.051}, author = {Patil, Madhuri T. and Krishnaswamy, Shobhana and Sarmah, Manash P. and Shashidhar, Mysore S.} } @article { ISI:000287274000022, title = {Purification and characterization of an alkaline protease by a new strain of Beauveria sp}, journal = {Process Biochemistry}, volume = {46}, number = {2}, year = {2011}, month = {FEB}, pages = {579-585}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A fungal culture isolated from animal dung was identified as a new strain of Beauveria sp MTCC 5184 based on 18S rDNA and ITS nucleotide sequence homology. The fungal isolate secretes alkaline protease active at pH 9 and 50 degrees C. The alkaline protease from Beauveria sp (BAP) was purified to homogeneity with 10.2-folds increase in specific activity and 38.6\% recovery. The molecular mass and isoelectric point of the protease were found to be 29 kDa and 9.3, respectively. The N-terminal sequence of the BAP showed only partial homology with subtilisin like proteases from other fungi. The enzyme was stable up to 40 degrees C and pH 3-11. The protease was inhibited by Cd(2+), Hg(2+) and Mn(2+). The activity was totally lost in the presence of 1 mM PMSF suggesting it to be a serine protease. The protease showed maximum activity with casein followed by haemoglobin and BSA. The purified protease is able to separate the endothelial cells and can be used in animal cell culture. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {Alkaline Protease, Animal cell culture, Beauveria sp, Sequence homology}, issn = {1359-5113}, doi = {10.1016/j.procbio.2010.10.013}, author = {Shankar, Shiv and Rao, Mala and Laxman, Ryali Seeta} } @article { ISI:000297741100014, title = {Purification, crystallization and preliminary X-ray characterization of a haemagglutinin from the seeds of Jatropha curcas}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {67}, number = {12}, year = {2011}, month = {DEC}, pages = {1534-1536}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The plant Jatropha curcas (Euphorbiaceae) is an important source of biofuel from the inedible oil present in its toxic seeds. The toxicity arises from the presence of curcin, a ribosome-inactivating protein showing haemagglutination activity. In this communication, the purification, crystallization and preliminary X-ray characterization are reported of a small protein isolated from J. curcas seeds with a molecular mass of 10 kDa that agglutinates rabbit erythrocytes. The protein was crystallized using the hanging-drop vapour-diffusion method and also by the microbatch method in 72-well HLA plates, using PEG 8000 as the precipitant in both conditions. X-ray diffraction data collected from the rod-shaped crystals were processed in the orthorhombic space group P212121. The crystals diffracted to 2.8 angstrom resolution at 103 K.

}, keywords = {haemagglutinins, Jatropha curcas}, issn = {1744-3091}, doi = {10.1107/S1744309111038218}, author = {Nair, Divya N. and Suresh, C. G. and Singh, Desh Deepak} } @article { ISI:000291216800020, title = {Purification, crystallization and X-ray characterization of a Kunitz-type trypsin inhibitor protein from the seeds of chickpea (Cicer arietinum)}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {67}, number = {6}, year = {2011}, month = {JUN}, pages = {714-717}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

{A Kunitz-type trypsin inhibitor protein (CPTI) purified from chickpea seeds was estimated to have a molecular mass of 18 kDa on SDS-PAGE. The IC50 value of CPTI was determined to be 2.5 mu g against trypsin. The inhibitory activity of CPTI is 114 TIU (trypsin inhibitory units) per milligram of protein, which is high compared with those of other known Kunitz-type trypsin inhibitors from legumes. CPTI crystallized in three different orthorhombic crystal forms: P2(1)2(1)2 form A, P2(1)2(1)2 form B and P2(1)2(1)2(1). The crystals of P2(1)2(1)2 form angstrom, with unit-cell parameters a = 37.2

}, issn = {1744-3091}, doi = {10.1107/S1744309111015338}, author = {Sharma, Urvashi and Suresh, C. G.} } @article {42536, title = {Receptor design and extraction of inorganic fluoride ion from aqueous medium}, journal = {Chemical Communications}, volume = {47}, year = {2011}, month = {MAY}, pages = {7398-7400}, abstract = {

A receptor with acidic methylene hydrogens is found to act as an efficient binding mode for F-. This reagent could as well be used for selective and quantitative extraction of F- from the aqueous solution of NaF and sea water.

}, doi = {10.1039/C1CC11458A}, author = {Das, Priyadip and Mandal, Amal Kumar and Kesharwani, Manoj K. and Suresh, Eringathodi and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000295856200011, title = {Recurrent somatic embryogenesis and plant regeneration in Angelica glauca Edgew., a critically endangered medicinal plant of the Western Himalaya}, journal = {Journal of Horticultural Science \& Biotechnology}, volume = {86}, number = {5}, year = {2011}, month = {SEP}, pages = {493-498}, publisher = {HEADLEY BROTHERS LTD}, address = {INVICTA PRESS, ASHFORD TN24 8HH, KENT, ENGLAND}, abstract = {

Secondary somatic embryogenesis and plant regeneration from seedling explants of Angelica glauca, an endangered medicinal plant of the Himalaya, is reported for the first time. Callus was obtained from all the explants tested in the present study (i.e., epicotyls, hypocotyls, and cotyledonary nodes). The highest frequency of callus formation (95.8\%) was observed using epicotyl explants on 4.0 mu M 2,4-dichlorophenoxyacetic acid (2,4-D), whereas 70.8\% of hypocotyl explants, and 58.3\% of cotyledonary nodes produced callus. One-hundred percent embryogenic callus was induced from epicotyl explants in 2.0 mu M 6-benzyladenine (BA) and 2.0 mu M alpha-naphthaleneacetic acid (NAA), together with the maximum number of somatic embryos (34.2 embryos per explant). Cotyledonary nodes did not produce somatic embryos. Histological studies confirmed the induction of somatic embryogenesis. Somatic embryos germinated into plantlets upon transfer to half-strength Murashige and Skoog (MS) medium without added plant growth regulators. We observed 85\% survival of these plantlets under field conditions. The development of secondary embryos was also observed when primary embryos were sub-cultured on full-strength MS medium containing 2.0 mu M NAA plus 2.0 mu M BA. This system of recurrent somatic embryogenesis provides a route for gene transfer and also for the large-scale production of this critically endangered medicinal plant.

}, issn = {1462-0316}, author = {Pandey, Meena and Dhar, Uppeandra and Samant, Sher Singh and Shirgurkar, Mrudul Vijay and Thengane, Shubhada Ratnakar} } @article { ISI:000289716300080, title = {Role of promoters in copper chromite catalysts for hydrogenolysis of glycerol}, journal = {Catalysis Today}, volume = {164}, number = {1}, year = {2011}, note = {1st Joint International Conference of the 8th Tokyo Conference on Advanced Catalytic Science and Technology/5th Asia Pacific Congress on Catalysis, Sapporo, JAPAN, JUL 18-23, 2010}, month = {APR}, pages = {447-450}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Various copper chromite catalysts with and without promoters were prepared by simultaneous co-precipitation and digestion technique and the role of promoters (Al, Ba and Zn) was investigated for hydrogenolysis of glycerol to 1,2-propylene glycol (1,2-PG) in both batch and continuous operations. Among various promoters studied, copper chromite catalyst with Ba as a promoter showed the highest activity and selectivity of 85\% to 1,2-PG. This catalyst was found to be active for more than 800 h in a continuous operation also. Ammonia TPD results showed that barium promoted copper chromite catalyst had the highest acidity which facilitates the dehydration of glycerol to acetol which is the first step in hydrogenolysis of glycerol to 1,2-PG. The effect of barium content and variation in the promoters combination was also studied. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {1, 2-Propylene glycol, Acetol, Ammonia TPD, Glycerol hydrogenolysis, Surface acidity}, issn = {0920-5861}, doi = {10.1016/j.cattod.2010.10.032}, author = {Mane, R. B. and Ghalwadkar, Ajay A. and Hengne, Amol M. and Suryawanshi, Y. R. and Rode, C. V.} } @article { ISI:000287268900024, title = {Room temperature ferromagnetism in undoped and Fe doped ZnO nanorods: microwave-assisted synthesis}, journal = {Journal of Solid State Chemistry}, volume = {184}, number = {2}, year = {2011}, month = {FEB}, pages = {391-400}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

One-dimensional (1D) undoped and Fe doped ZnO nanorods of average length similar to 1 mu m and diameter similar to 50 nm have been obtained using a microwave-assisted synthesis. The magnetization (M) and coercivity (H-c) value obtained for undoped ZnO nanorods at room temperature is similar to 5 X 10(-3) emu/g and similar to 150 Oe, respectively. The Fe doped ZnO samples show significant changes in M -H loop with increasing doping concentration. Both undoped and Fe doped ZnO nanorods exhibit a Curie transition temperature (T-c) above 390 K. Electron spin resonance and Mossbauer spectra indicate the presence of ferric ions. The origin of ferromagnetism in undoped ZnO nanorods is attributed to localized electron spin moments resulting from surface defects/vacancies, where as in Fe doped samples is explained by F center exchange mechanism. (C) 2010 Published by Elsevier Inc.

}, keywords = {Diluted magnetic semiconductors, Nanostructures, ZnO}, issn = {0022-4596}, doi = {10.1016/j.jssc.2010.11.008}, author = {Limaye, Mukta V. and Singh, Shashi B. and Das, Raja and Poddar, Pankaj and Kulkarni, Sulabha K.} } @article { ISI:000296548400026, title = {RuCl3-TBHP mediated allylic oxidation of Delta(8(9)) lanosterol derivatives}, journal = {Tetrahedron Letters}, volume = {52}, number = {45}, year = {2011}, month = {NOV}, pages = {6007-6010}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A variety of Delta(8(9))-lanosterol derivatives were converted into 7,11-dienones using t-butyl hydroperoxide in the presence of ruthenium chloride (RuCl3) in good yields. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Allylic oxidation, Oxygenated steroids, Ruthenium chloride, Steroidal ketones, t-Butyl hydroperoxide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.08.166}, author = {Shingate, Bapurao B. and Hazra, Braja G. and Salunke, Deepak B. and Pore, Vandana S.} } @article { ISI:000293492300025, title = {Selective epoxidation of methyl soyate over alumina-supported group VI metal oxide catalysts}, journal = {Applied Catalysis A-General}, volume = {401}, number = {1-2}, year = {2011}, month = {JUL}, pages = {189-198}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Epoxidation of methyl soyate (biodiesel), soybean oil and oleic acid with tert.-butyl hydroperoxide (TBHP) was investigated over gamma-alumina-supported group VI metal oxides (CrOx/Al2O3, MoOx/Al2O3 and WOx/Al2O3) prepared by impregnation method. The studies revealed that 15 wt\% MoOx on gamma-Al2O3 was the most active catalyst (conversion \>90 mol\% under optimized conditions). While MoOx/Al2O3 is selective mainly for epoxidation, the other catalysts are active for epoxidation as well as for decomposition of TBHP. The active species on the catalyst surface were investigated using in situ UV-visible spectroscopy. A linear correlation was observed between epoxidation activity and surface acidity of the catalyst. A new H-1 NMR method was developed to monitor the progress of epoxidation reaction which was found to be superior to gas chromatographic method in estimating the conversion of double bonds of fatty compounds. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Alumina-supported group VI metal oxides, Biodiesel, epoxidation, Fatty acids, H-1 NMR spectroscopy, MoOx/Al2O3, Vegetable oil}, issn = {0926-860X}, doi = {10.1016/j.apcata.2011.05.021}, author = {Satyarthi, Jitendra K. and Srinivas, D.} } @article { ISI:000288291400015, title = {Self-standing three-dimensional networks of nanoparticles with controllable morphology by dynamic templating of surfactant hexagonal domains}, journal = {Chemistry of Materials}, volume = {23}, number = {6}, year = {2011}, month = {APR}, pages = {1448-1455}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Assembly of nanoparticles into free-standing three-dimensional networks has implications for a wide range of applications. We show that dynamic templating of surfactant hexagonal domains is a facile technique to organize nanoparticles into a network of particulate strands. Dispersed particles (\> 10 nm), independent of particle chemistry, assemble into networks, when the surfactant matrix cools into the hexagonal phase. We demonstrate assembly of inorganic, polymeric, and protein nanoparticles into networks. Where particle assembly is reversible, particles are coated with polymers that are subsequently cross-linked to stabilize the networks after surfactant removal. This technique involves near ambient temperatures and a benign water wash for template removal. The network mesh size can be varied from submicrometers to tens of micrometers by controlling the cooling rate. Particle networks can be flow-oriented prior to cross-linking, and interpenetrating networks can also be formed.

}, keywords = {hexagonal, macroporous, nanoparticle, self assembly, surfactant}, issn = {0897-4756}, doi = {10.1021/cm102945x}, author = {Sharma, Kamendra P. and Ganai, Anal Kumar and Sen Gupta, Sayam and Kumaraswamy, Guruswamy} } @article {42770, title = {Silico substrate specificity in bmgt1 and bmgt2 genes of bacopa monniera glycosyltransferases online journal of bioinformatics}, journal = {Bioinformatics}, volume = {12}, year = {2011}, month = {JAN}, pages = {413 - 430}, author = {Sharma, Ranu and Ruby and Khan, Bashir Mohammad and Suresh, C.G.} } @article { ISI:000287627200012, title = {Single nucleotide polymorphism in transcobalamin II (15V) induces structural changes in the protein as revealed by molecular modeling studies}, journal = {Biochemistry}, volume = {50}, number = {8}, year = {2011}, month = {MAR}, pages = {1396-1402}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Cobalamin is an essential micronutrient in mammals. Deficiencies of this micronutrient have been implicated as risk factors for various complex diseases. Cobalamin is transported to the cells by the transport protein transcobalamin II (TCII), and hence genetic variations (like single nucleotide polymorphisms) in TCII could be perceived to affect the binding of cobalamin to TCII, thereby modulating the intracellular concentrations of cobalamin. To understand whether three nonsynonymous mutations in TCII (I5V, P241R, and R381Q) alter the structure of the protein which could potentially affect cobalamin binding, we performed molecular dynamics simulation in silico. Superimposition of active sites of the four simulated models (wild type and three variants) with the human TCII crystal structure revealed that the distance between the N epsilon nitrogen atom of His-173 and the cobalt ion of cobalamin deviated considerably in the I5V model as compared to wild type and other variants. His-173 directly coordinates with the cobalt ion of cobalamin. Further, from our dynamic cross-correlation and principal component analysis it appears that in the I5V model the beta-domain moves apart from the alpha-domain creating a wide gap between the two domains. This might facilitate the initial binding of cobalamin in the I5V model as cobalamin enters the binding site through the gap between the two domains. These observations were not found in the other variants. We thus speculate that binding of cobalamin will be more facile in the I5V variant.

}, issn = {0006-2960}, doi = {10.1021/bi101095g}, author = {Silla, Yumnam and Chandamouli, Balasubramanian and Maiti, Souvik and Sengupta, Shantanu} } @article { ISI:000295223800016, title = {Solid suspension in stirred tanks: UVP measurements and CFD simulations}, journal = {Canadian Journal of Chemical Engineering}, volume = {89}, number = {5, SI}, year = {2011}, month = {OCT}, pages = {1112-1121}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Suspension of solids in stirred reactor is widely used for catalytic reactions, dissolution, etc. Quality of solid suspension is an important parameter required for the reliable design, optimum performance, and scale up of the system. Quality of suspension depends on local characteristics of solid velocity and hold up profiles. The present work was focused on investigating quality of solid suspension using ultrasound velocity profiler (UVP) measurements and CFD simulations. The slip velocity measurements carried out with UVP were used to evaluate different drag correlations used in CFD simulations. Results discussed in this work would be useful for extending the applications of CFD models for simulating large stirred slurry reactors.

}, keywords = {CFD, drag coefficient, solid suspension, solid-liquid velocities, UVP}, issn = {0008-4034}, doi = {10.1002/cjce.20548}, author = {Sardeshpande, Madhavi V. and Juvekar, Vinay A. and Ranade, Vivek V.} } @article {42542, title = {Solvent-dependent aggregation behavior of a new Ru(ii)-polypyridyl based metallosurfactant}, journal = {Chemical Communications}, volume = {47}, year = {2011}, month = {SEP}, pages = {11074-11076}, abstract = {

Variation of the solvent polarity leads to the formation of vesicles and reverse vesicles of a newly synthesized amphiphilic Ru(II)-polypyridyl complex.

}, doi = {10.1039/C1CC13957F}, author = {Mahato, Prasenjit and Saha, Sukdeb and Choudhury, Sipra and Das, Amitava} } @article { ISI:000295237400015, title = {Stereoselective synthesis and antimicrobial activity of steroidal C-20 tertiary alcohols with thiazole/pyridine side chain}, journal = {European Journal of Medicinal Chemistry}, volume = {46}, number = {9}, year = {2011}, month = {SEP}, pages = {3681-3689}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Stereoselective synthesis of novel steroidal C-20 tertiary alcohols with thiazole and pyridine side chain using Grignard reaction of steroidal ketones and thiazole/pyridine magnesium bromide have been realized. These molecules were evaluated in vitro for their antifungal and antibacterial activities. Most of the compounds exhibited significant antifungal and antibacterial activity against all the tested strains. (C) 2011 Elsevier Masson SAS. All rights reserved.

}, keywords = {antibacterial activity, Antifungal activity, Grignard reaction, Steroid side chain, Steroidal ketones}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2011.05.032}, author = {Shingate, Bapurao B. and Liazra, Braja G. and Salunke, Deepak B. and Pore, Vandana S. and Shirazi, Fazal and Deshpande, Mukund V.} } @article { ISI:000295113200011, title = {Stereoselective synthesis of ophiocerins A and C}, journal = {Tetrahedron-Asymmetry}, volume = {22}, number = {11}, year = {2011}, month = {JUN}, pages = {1212-1217}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of ophiocerins A and C has been achieved via a common intermediate. The stereogenic centers were generated by means of Jacobsen{\textquoteright}s hydrolytic kinetic resolution and Sharpless kinetic resolution. (C) 2011 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2011.06.015}, author = {Show, Krishanu and Gupta, Priti and Kumar, Pradeep} } @article { ISI:000291903100003, title = {Strain improvement and statistical media optimization for enhanced erythritol production with minimal by-products from candida magnoliae mutant R23}, journal = {Biochemical Engineering Journal}, volume = {55}, number = {2}, year = {2011}, month = {JUL}, pages = {92-100}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Mutants of Candida magnoliae NCIM 3470 were generated by ultra-violet and chemical mutagenesis to enhance erythritol production. The mutants were screened for higher reductase activity on agar plates containing high concentration of glucose and 2,3,5-triphenyl tetrazolium chloride (TTC). One of the mutants named as R23 gave maximum erythritol production, 60.3 g L(-1), compared to 14 g L(-1) of the parent strain. Glucose and yeast extract were identified as critical medium components which decide the ratio of polyols produced, mainly erythritol, mannitol and glycerol. In order to enhance the production of erythritol and to minimize the production of mannitol and glycerol, a four component-five level-three response central-composite-rotatable-design (CCRD) of response surface methodology (RSM) model was used. The optimum medium composition for erythritol production was found to contain (g L(-1)) glucose 238, yeast extract 9.2, KH(2)PO(4), 5.16 and MgSO(4) 0.23. Moreover, erythritol production was studied in a 10 L fermentor in batch and fed-batch mode using RSM optimized medium. In fed-batch fermentation, 87.8 g L(-1) erythritol was produced with 31.1\% yield, without formation of any other polyols. Thus present study involving strain improvement followed by media and process optimization resulted in 6.2-fold increase in erythritol production and 3.4-fold increase in the yield. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Candida magnoliae, Erythritol, Fermentation, Metabolite over-production, Modelling, Optimization}, issn = {1369-703X}, doi = {10.1016/j.bej.2011.03.009}, author = {Savergave, Laxman S. and Gadre, Ramchandra V. and Vaidya, Bhalchandra K. and Narayanan, Karthik} } @article { ISI:000291294100029, title = {Structural isomerism and effect of fluorination on gas adsorption in copper-tetrazolate based metal organic frameworks}, journal = {Chemistry of Materials}, volume = {23}, number = {11}, year = {2011}, month = {JUN}, pages = {2908-2916}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Synthesis, structure, and gas adsorption properties of three Metal Organic Frameworks (MOFs) synthesized from predesigned ligands 4-(1H-tetrazole-5-yl)benzoic acid (4-TBA) and 2-fluoro-4-(1H-tetrazole-5-yl)benzoic acid (2F-4-TBA) along with Cu(II) as an metal precursor has been reported. Among these MOFs, Cu-9(4-TBA)(10)(C2H5OH)(2) (Cu-TBA-1) and Cu-2(4-TBA)(2)(DMF)(C2H5OH) (Cu-TBA-2) are structural isomers. Whereas, Cu-2(4-TBA)(2)(DMF)(C2H5OH) (Cu-TBA-2) and Cu-2(2-F-4-TBA)(2)(DMF)(2) (Cu-TBA-2F) have similar crystal structure. N-2 adsorption isotherms of the activated sample of Cu-TBA-1 and -2 exhibit types-I sorption behavior with a Langmuir and Brunauer-Emmett-Teller (BET) surface area of 686, 402 m(2)/g and 616, 356 m(2)/g, respectively. It is noteworthy that Cu-TBA-1 and -2 adsorbs 1.16 and, 1.54 wt \% H-2, while Cu-TBA-2F adsorbs 0.67 wt \% at 77 K and 1 atm. On the other hand, Cu-TBA-1 and -2 adsorb 3.08 and 2.54 mmol/g, while Cu-TBA-2F adsorbs 1.27 mmol/g of CO2 at 298 K and 1 bar pressure. H-2 adsorption sites in Cu-TBA-2 and -2F have been analyzed by molecular simulation.

}, keywords = {CO2 adsorption, fluorination, Hydrogen storage, Metal-organic framework, structural isomerism}, issn = {0897-4756}, doi = {10.1021/cm2004352}, author = {Pachfule, Pradip and Chen, Yifei and Sahoo, Subash Chandra and Jiang, Jianwen and Banerjee, Rahul} } @article { ISI:000287175600029, title = {Structure and gas sorption behavior of a new three dimensional porous magnesium formate}, journal = {Inorganic Chemistry}, volume = {50}, number = {4}, year = {2011}, month = {FEB}, pages = {1392-1401}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new three-dimensional magnesium formate polymorph, namely, gamma-[Mg-3(O2CH)(6)] has been synthesized via in situ formate anion generation method. gamma-Mg-formate crystallizes in space group Pbcn, and structural determination by X-ray single crystal diffraction reveals a three-dimensional network of Mg2+ linked by formate anions. All formate anions possess similar binding mode to the metal center with one oxygen of a particular formate anion binds to one metal center (mu(1) oxygen) and other oxygen binds to two metal centers (mu(2) oxygen). N-2 adsorption studies indicate that the framework displays permanent porosity. The specific surface area of gamma-Mg-formate (BET, 120 m(2) gm(-1)) is lower than the alpha- polymorph (BET, 150 m(2) gm(-1)). However, the initial hydrogen uptake of gamma-Mg-formate reached almost 1.0 wt \% when the adsorbate pressure approached 760 Torr at 77 K. This is higher than the hydrogen uptake of alpha-Mg-formate (0.6 wt \%). gamma-Mg-formate, shows a moderate affinity and capacity for CO2 (3.4 angstrom kinetic diameter) at 298 K. The CO2 uptake at 760 Torr is 2.01 mmol gm(-1)(47.0 cc gm(-1)). Although this CO2 uptake is somewhat modest, it compares well with the CO2 uptake of several Mg-MOFs and ZIFs reported in the literature.

}, issn = {0020-1669}, doi = {10.1021/ic102057p}, author = {Mallick, Arijit and Saha, Subhadeep and Pachfule, Pradip and Roy, Sudip and Banerjee, Rahul} } @article { ISI:000287056000001, title = {Structure determination and dynamics of protein-RNA complexes by NMR spectroscopy}, journal = {Progress in Nuclear Magnetic Resonance Spectroscopy}, volume = {58}, number = {1-2}, year = {2011}, month = {FEB}, pages = {1-61}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, keywords = {Dynamics, NMR spectroscopy, Protein-RNA complex, Structure determination}, issn = {0079-6565}, doi = {10.1016/j.pnmrs.2010.10.001}, author = {Dominguez, Cyril and Schubert, Mario and Duss, Olivier and Ravindranathan, Sapna and Allain, Frederic H. T.} } @article {42529, title = {Studies on [3]pseudorotaxane formation from a bis-azacrown derivative as host and imidazolium ion-derivatives as guest}, journal = {Organic \& Biomolecular Chemistry}, volume = {9}, year = {2011}, month = {MAR}, pages = {4811-4817}, abstract = {

A new host molecule, having two azacrown derivatives bridged by luminescent naphthalene diimide functionality, is found to form a [3]pseudorotaxane derivative with imidazolim ion-based guest molecules in non-polar solvents through hydrogen-bonded adduct formation. Depending upon the length of the covalent linker that links the imidazolium ion and the luminescent naphthalene fragment in the guests, the [3]pseudorotaxane adducts adopt different conformation or orientation with varying π{\textendash}π/donor{\textendash}acceptor interaction. The mechanism for the naphthalene-based luminescence quenching by NDI fragment on adduct formation was found to be a combination of static, as well as dynamic with static quenching as the dominant one.

}, doi = {10.1039/C0OB01106A}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Das, Amitava} } @article { ISI:000298175400040, title = {Studies on the feasibility of recycled polystyrene doped with NLO active meta-Nitroaniline for optoelectronics applications}, journal = {Polymers for Advanced Technologies}, volume = {22}, number = {12}, year = {2011}, month = {DEC}, pages = {1865-1871}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A Guest-Host system based on meta-Nitroaniline (m-NA) and recycled polystyrene (RPS) susceptible to generate nonlinear optically (NLO) active property such as second harmonic generation (SHG) has been prepared. Pure, sublimed, optical grade, crystalline m-NA is used as a guest and RPS from the disposable packaging waste as available utilized as the host polymer. In this paper we report the effect of NLO active m-NA on the bulk and optical properties of RPS. The purified m-NA was incorporated from 1-10 wt\% in the RPS polymer matrix by conventional solution casting method. Thin, transparent, freestanding films obtained were characterized with optical microscope, scanning electron microscope (SEM), viscosity measurement, and UV-Visible (UV-Vis) spectroscopy for bulk properties evaluation and Nd:YAG laser studies for optoelectronics application such as SHG through frequency doubling. Copyright (C) 2010 John Wiley \& Sons, Ltd.

}, keywords = {frequency doubling, guest-host NLO systems, meta-Nitroaniline, nonlinear optical activity, Polystyrene, second harmonic generation}, issn = {1042-7147}, doi = {10.1002/pat.1685}, author = {Sureshkumar, M. S. and Goyal, R. K. and Negi, Y. S. and Pratheepkumar, A. and Reddy, K. Raghunatha and Singh, R. P. and Dadge, Jagdish W. and Aiyer, Rohini C.} } @article { ISI:000294982800015, title = {Surfactant tunable hierarchical nanostructures of CdIn2S4 and their photohydrogen production under solar light}, journal = {International Journal of Hydrogen Energy}, volume = {36}, number = {18}, year = {2011}, month = {SEP}, pages = {11628-11639}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The hierarchical nanostructures of CdIn2S4 were selectively prepared through hydrothermal process in the presence of different surfactants. Structural study demonstrated existence of cubic spinel structure and micro structural study shown a pretty marigold flower like morphology without any surfactant. The effect of surfactants on the morphology and microstructure of CdIn2S4 has been studied by using Polyvinyl pyrrolidone (PVP) and Cetyltrimethyl ammonium bromide (CTAB) as a surfactants. The CdIn2S4 bipyramids with length of 0.7-1 mu m have been obtained using PVP. Interestingly, the nanopetals (thin and transparent) of CdIn2S4 are self assembled into hollow spheres in the presence of CTAB. Considering the importance of these unique nanostructures, the growth mechanism has also been proposed. The optical properties demonstrated the band gap in the range of 2.12-2.29 eV which is well within the visible region. In this contest, photocatalytic activity for hydrogen production using the above nanostructures under visible light was also demonstrated. The prima-fascia observations shows that the bipyramidal CdIn2S4 exhibit excellent photocatalytic activity for hydrogen production (3238 mu molh(-1)) than other nanostructures. Being a nanostructured semiconductor chalcogenide with a good stability will also have potential applications in solar cells and LED. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Bipyramids, CdIn2S4, Hydrogen generation, hydrothermal, Self-assembled}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2011.06.061}, author = {Bhirud, Ashwini P. and Chaudhari, Nilima and Nikam, Latesh and Sonawane, Ravindra and Patil, Kashinath and Baeg, Jin-Ook and Kale, Bharat} } @article { ISI:000290075500029, title = {Syntheses and biological evaluation of new triazole-spirochromone conjugates as inhibitors of mycobacterium tuberculosis}, journal = {Tetrahedron Letters}, volume = {52}, number = {18}, year = {2011}, month = {MAY}, pages = {2387-2389}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of novel 1,2,3-triazole fused spirochromone conjugates have been synthesized bearing both spirochromone moiety as well as a 1,2,3-triazole moiety. Some of the compounds have exhibited potential activity against Mycobacterium tuberculosis (virulent strain H37Rv). In particular 5e proved to be the most potent derivative exhibiting MIC = 0.78 mu g/mL. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Antitubercular activity, Click chemistry, Mycobacterium tuberculosis, Spirochromones}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.02.099}, author = {Muthukrishnan, Murugan and Mujahid, Mohammad and Yogeeswari, P. and Sriram, D.} } @article { ISI:000296674400011, title = {Synthesis and characterization of bifunctional ethenylene bridged mesoporous organoaluminosilicates}, journal = {Nanoscience and Nanotechnology Letters}, volume = {3}, number = {4}, year = {2011}, month = {AUG}, pages = {497-502}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Bifunctional mesoporous organosilicas having -CH=CH- bridges and aluminium in tetrahedral coordination with tailorable pore sizes have been synthesized using a one-step templating method using cationic surfactants of different chain lengths. Unlike the conventional EtOH-HCl template extraction process, EtOH-NH(4)NO(3) was used as the surfactant-extracting medium and chemical analysis results suggest that through this procedure the mesoporous structure can be retained and dealumination can be minimized. The surfactant-extracted mesoporous solids display high surface area, pore volume and the pore size of the material varies in the range 2.6-3.6 nm, with respect to the alkyl chain length of the cationic surfactant. XRD and nitrogen physisorption studies further proved that the organosilicas are hydro thermally stable than the conventional Al-MCM-41 materials and their better stability is attributed to the thick pore walls as well as due to the presence of hydrophobic bridging ethenylene groups in the wall positions. The coupling of Al(4) with -CH=CH- bridges offer new prospects for the application of periodic mesoporous organosilicas in heterogeneous catalysis.

}, keywords = {Aluminium, Cationic Surfactants, Hydrothermal stability, Organosilicas}, issn = {1941-4900}, doi = {10.1166/nnl.2011.1196}, author = {Shylesh, S. and Kapoor, Mahendra P. and Juneja, Lekh R. and Srilakshmi, Ch. and Singh, A. P.} } @article { ISI:000298764800037, title = {Synthesis and characterization of CdS/PVA nanocomposite thin films from a complexing agent free system}, journal = {Materials Chemistry and Physics}, volume = {131}, number = {1-2}, year = {2011}, month = {DEC}, pages = {223-229}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

CdS/PVA nanocomposite thin films have been deposited on glass substrates by in situ thermolysis of precursors dispersed in polyvinyl alcohol (PVA). The synthetic technique reported in this study is free from complexing agent and hence no need to control the pH of the solution as in the case of conventional CBD. The as-prepared films were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), selected area electron diffraction (SAED), UV-vis spectroscopy, and photoluminescence (PL) spectra. The XRD and SAED results indicated the formation of CdS nanoparticles with hexagonal phase in the PVA matrix. The photoluminescence and UV-vis spectroscopy revealed that CdS/PVA films showed quantum confinement effect. From the shift in optical band gap, particle sizes were calculated using effective mass approximation (EMA) method and it was found to be in agreement with the results obtained from TEM observations. The SEM results indicated that as grown films were homogeneous with no visible pinholes and cracks. The film prepared at 100 degrees C was found to be suitable for application as a window layer in solar cell. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {CdS/PVA, Nanocomposite, Optical properties, Thermolysis}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2011.09.011}, author = {Saikia, Dulen and Saikia, P. K. and Gogoi, P. K. and Das, M. R. and Sengupta, P. and Shelke, M. V.} } @article { ISI:000287058100062, title = {Synthesis and characterization of chemically deposited nickel substituted CdSe thin film}, journal = {Journal of Alloys and Compounds}, volume = {509}, number = {6}, year = {2011}, month = {FEB}, pages = {2948-2951}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The technologically important Cd(0.5)Ni(0.5)Se thin film has been developed by solution growth technique on non-conducting glass substrate in tartarate bath containing Cd(+2), Ni(+2) ions and sodium selenosulphate in an aqueous alkaline medium at room temperature. Various preparative conditions of the thin films are outlined. The films were characterized by X-ray diffraction, scanning electron microscope, optical absorption and electrical measurements. The X-ray diffraction study indicates that the film is polycrystalline in nature with hexagonal phase. Scanning electron micrograph shows that the film is homogeneous with well-defined grains. The films have high optical absorption coefficient. Thermoelectric power measurement shows p-type conduction mechanism. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Chemical synthesis, Crystal growth, Electrical conductivity, thin film}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2010.11.165}, author = {Hankare, P. P. and Jadhav, B. V. and Chate, P. A. and Sathe, D. J. and Mulla, Imtiaz S.} } @article { ISI:000292555200034, title = {Synthesis and characterization of cobalt substituted zinc ferri-chromites prepared by sol-gel auto-combustion method}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {22}, number = {8}, year = {2011}, month = {AUG}, pages = {1109-1115}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Mixed metal oxides having spinel structure shows interesting structural properties. In the present investigation, cobalt substituted zinc ferri-chromites were prepared by sol-gel auto-combustion method. The completion of solid state reaction and the formation of spinel phase were identified using X-ray diffraction technique. All the compounds exhibit cubic spinel symmetry and lattice constant shows an irregular trend with substitution of Co. Infra-red spectral studies shows an two strong bands, one around 600 cm(-1) which is attributed to the intrinsic vibrations of tetrahedral complexes and the other at 400 cm(-1) is due to octahedral one. The morphology and size of the particles was found out by scanning electron microscopy while the elemental compositions by elemental dispersive X-ray spectroscopy. The various compounds of the present system Zn1-xCoxFeCrO4 were also investigated for their thermal and electronic studies.

}, issn = {0957-4522}, doi = {10.1007/s10854-010-0268-7}, author = {Hankare, P. P. and Vader, V. T. and Sankpal, U. B. and Patil, R. P. and Jadhav, A. V. and Mulla, Imtiaz S.} } @article { ISI:000297269700002, title = {Synthesis and characterization of new organosoluble aromatic polyamides and polyazomethines containing pendent pentadecyl chains}, journal = {High Performance Polymers}, volume = {23}, number = {7}, year = {2011}, month = {NOV}, pages = {494-505}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

New aromatic polyamides and polyazomethines containing pendent pentadecyl chains were synthesized by polycondensation of pentadecylbenzene-1,3-diamine with (i) four commercially available aromatic diacids, viz., biphenyl-4,4{\textquoteright}dicarboxylic acid, 4,4{\textquoteright}-oxybisbenzoic acid, terephthalic acid and isophthalic acid, and (ii) dialdehydes, viz., terephthaldehyde, isophthaldehyde and a 50 : 50 mol\% mixture of terephthaldehyde, and isophthaldehyde, respectively. Inherent viscosities of polyamides and polyazomethines were in the range 0.35-0.56 dL g(-1) and 0.33-0.38 dL g(-1), respectively, indicating the formation of medium molecular weight polymers. The presence of pendent pentadecyl chains in polyamides and polyazomethines led to an improvement in their solubility in organic solvents. Polyamides could be cast into flexible, transparent and tough films from their solution in N,N-dimethylacetamide while polyazomethines could be solution cast into transparent, flexible and stretchable films from their CHCl(3) solution. (1)H-NMR studies based on amide proton signals and azomethine proton signals indicated the presence of constitutional isomerism in the polyamides and polyazomethines. Wide-angle X-ray diffraction patterns exhibited broad halo indicating that the polymers were amorphous in nature. X-ray diffractograms also displayed sharp reflections in the small angle region (2 theta approximate to 3 degrees) indicating the formation of layered structure arising from packing of flexible pentadecyl chains. The glass transition (T(g)) temperatures of polyamides were in the range 169-215 degrees C while T(g) values for polyazomethines were in the range 16-55 degrees C. The temperature for the 10\% weight loss of polyamides and polyazomethines were in the range 430-460 degrees C and 425-440 degrees C, respectively, in a nitrogen atmosphere, which indicated their good thermal stability. Polyazomethines were also characterized by UV-Vis and photoluminescence spectroscopy and optical band gap (E(g)) values, calculated according to the maximum of the UV absorption, were found to be in the range 2.82-3.10 eV.

}, keywords = {High performance polymers, optical band gap, polyamides, polyazomethines, solubility}, issn = {0954-0083}, doi = {10.1177/0954008311417316}, author = {Sadavarte, Nilakshi V. and Avadhani, C. V. and Wadgaonkar, Prakash P.} } @article { ISI:000290038000005, title = {Synthesis and characterization of soluble polyamides from bis-[(4 {\textquoteleft}-aminobenzyl)-4-benzamide] ether and various diacids}, journal = {Polymer Bulletin}, volume = {66}, number = {9}, year = {2011}, month = {MAY}, pages = {1207-1218}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

New aromatic diamine containing preformed amide, ether, and methylene; bis-[(4{\textquoteright}-aminobenzyl)-4-benzamide] ether (BABE), was synthesized and characterized by FT-IR, NMR, and mass spectrometry. Aromatic-aliphatic polyamides were prepared from BABE with aliphatic/aromatic diacids via Yamazaki{\textquoteright}s polymerization. The polyamides were characterized by FT-IR, (1)H NMR, inherent viscosity [eta(inh)], solubility tests, differential scanning calorimetry [DSC], thermogravimetric analysis [TGA], and X-ray diffraction [XRD]. Polyamides had inherent viscosities 0.35-0.84 dL/g, soluble in aprotic polar solvents like N-methyl-2-pyrrolidone, N, N-dimethyl acetamide and dimethyl sulphoxide containing LiCl due to an amorphous to partially crystalline morphology; as XRD patterns indicated. DSC analysis of polyamides showed glass transition temperatures 166-268 A degrees C. Polyamides showed high thermal stability as they did not degrade below 300 A degrees C, had 10\% weight loss temperature higher than 375 A degrees C, and the char yields at 900 A degrees C were 22-55\%; indicating potential applications as engineering materials.

}, keywords = {Aryl-ether and methylene linkages, Bis-[(4 {\textquoteleft}-aminobenzyl)-4-benzamide] ether, Direct phosphorylative polycondensation, Soluble aromatic-aliphatic polyamides, Thermal properties}, issn = {0170-0839}, doi = {10.1007/s00289-010-0344-4}, author = {Patil, A. S. and Sayyed, M. M. and Bhairamadgi, Nagendra S. and Han, Sung-Hwan and Maldar, Noormahamad N.} } @article { ISI:000287163600004, title = {Synthesis and drug-delivery behavior of chitosan-functionalized graphene oxide hybrid nanosheets}, journal = {Macromolecular Materials and Engineering}, volume = {296}, number = {2}, year = {2011}, month = {FEB}, pages = {131-140}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Chitosan-functionalized graphene oxides (FGOCs) were successfully synthesized. FGOCs were found to significantly improve the solubility of the GO in aqueous acidic media. The presence of organic groups was confirmed by means of XPS and TGA. Restoration of the sp(2) carbon network and exfoliation of graphene sheets were confirmed by Raman spectroscopy, UV-visible spectroscopy and WAXD. The SEM and AFM investigations of the resultant FGOCs showed that most of the graphene sheets were individual and few were layered. Controlled release behavior of Ibuprofen and 5-fluorouracil was then investigated. We found that FGOCs are a promising new material for biological and medical applications.

}, keywords = {Biocompatibility, Chitosan, drug delivery systems, functionalization of polymers, solution properties}, issn = {1438-7492}, doi = {10.1002/mame.201000307}, author = {Rana, Vijay Kumar and Choi, Myeon-Cheon and Kong, Jin-Yeon and Kim, Gwang Yeon and Kim, Mi Ju and Kim, Sun-Hee and Mishra, Satyendra and Singh, Raj Pal and Ha, Chang-Sik} } @article { ISI:000288141700012, title = {Synthesis, characterisation of polymer-supported palladium-2-methylimidazole complex catalyst for the hydrogenation of aromatic nitro compounds}, journal = {Journal of Chemical Research}, number = {2}, year = {2011}, month = {FEB}, pages = {112-115}, publisher = {SCIENCE REVIEWS 2000 LTD}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {

A polymer-supported palladium-2-methylimidazole complex was synthesised and characterised by various physicochemical methods. The complex was successfully used as a catalyst for the hydrogenation of nitrobenzene and a few of its derivatives under ambient conditions. Results reveal that the electronic as well as the steric effects of the substitutent control the rate of hydrogenation of the nitro group in the studied nitro compounds. The kinetics of hydrogenation and the reusability of the catalyst were also studied.

}, keywords = {aromatic nitro compounds, Hydrogenation, polymer-supported complex catalyst, transition metal complexes}, issn = {1747-5198}, doi = {10.3184/174751911X556855}, author = {Velua, Udayakumar and Stanislaus, Alexander and Virupaiah, Gayathri and Shivakumaraiah and Patil, Kashinath Rangu and Balasubramanian, Viswanathan} } @article { ISI:000293939800014, title = {Synthesis of bis-allyloxy functionalized polystyrene and poly (methyl methacrylate) macromonomers using a new ATRP initiator}, journal = {European Polymer Journal}, volume = {47}, number = {8}, year = {2011}, month = {AUG}, pages = {1621-1629}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new bis-allyloxy functionalized ATRP initiator, viz, 4,4-bis (4-(allyloxy) phenyl) penty1-2-bromo-2-methylpropanoate was synthesized starting from commercially available 4,4-bis (4-hydroxyphenyl) pentanoic acid. Atom transfer radical polymerization of styrene in bulk and that of methyl methacrylate in anisole using CuBr/N,N,N{\textquoteright},N{\textquoteright},N {\textquoteleft}{\textquoteright}-pentamethyldiethyl-enetriamine system was carried out. The kinetic study of styrene polymerization showed controlled polymerization behavior. Bis-allyloxy functionalized well-defined polystyrene (M(n)(GPC): 13,600-28,250, PDI: 1.07-1.09) and poly (methyl methacrylate) (M(n)(GPC): 10,100-18,450, PDI: 1.23-1.34) macromonomers were obtained. The presence of allyloxy functionality was confirmed by (1)H NMR spectroscopy. The reactivity of allyloxy functionality was demonstrated by carrying out organic reactions such as addition of bromine and hydrosilylation on polystyrene macromonomer. Polystyrene macromonomer with bis-allyloxy functionality was transformed into bis-epoxy functionalized polystyrene macromonomer using 3-chloroperoxybenzoic acid. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Allyloxy end-functional polymer, Atom transfer radical polymerization (ATRP), Macromonomers, Poly (methyl methacrylate), Polystyrene}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2011.05.012}, author = {Sane, Prakash S. and Palaskar, Dnyaneshwar V. and Wadgaonkar, Prakash P.} } @article { ISI:000291293600027, title = {Synthesis of cube-shaped gold nanostructures by electron irradiation}, journal = {Materials Letters}, volume = {65}, number = {11}, year = {2011}, month = {JUN}, pages = {1605-1607}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The needle-like gold nanostructures were synthesized by using chloroauric acid (HAuCl(4)) as a metal precursor and sodium borohydride (NaBH(4)) as the reducing agent. These needle-like nanostructures of gold were irradiated with high energy electrons (E-6 MeV, phi similar to 10(12) e cm(-2) s(-1)). The pre- and post-irradiated gold nanostructures were characterized by Scanning Electron Microscopy (SEM), UV-vis spectroscopy, X-ray Diffraction (XRD) and contact angle measurement (GBX-Model Digidrop) techniques. The results of the SEM revealed that after electron irradiation, the needle-like gold structures got fragmented into identical cube-shaped gold nanostructures, though of different sizes. The XRD analysis indicated that the average crystallite size of the gold nanostructures remained unchanged even after irradiation with high energy electrons. A glass surface showed hydrophilic behavior when coated with needle-like nanostructures and became ultra hydrophilic when coated with cube-shaped gold nanostructures. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Gold nanostructures, High energy electron irradiation, Nanostructured materials, Radiation damage, Surfaces, Ultra hydrophilic surfaces}, issn = {0167-577X}, doi = {10.1016/j.matlet.2011.02.053}, author = {Dhumale, Vinayak A. and Gangwar, Rajesh K. and Shah, Preeti V. and Bhoraskar, Vasant N. and Mulla, Imtiaz S. and Sharma, Rishi B.} } @article { ISI:000288386700006, title = {Synthesis of glycopolypeptides by the ring opening polymerization of O-glycosylated-alpha-amino acid N-carboxyanhydride (NCA)}, journal = {Polymer Chemistry}, volume = {2}, number = {4}, year = {2011}, month = {FEB}, pages = {805-811}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The novel synthesis of O-glycosylated lysine-NCA from a stable glycosyl donor and a commercially available protected amino acid in very high yield is reported. These O-glycosylated lysine-NCA monomers underwent ring opening polymerization using simple primary amine initiators to form well defined, high molecular weight homoglycopolypeptides and diblock co-glycopolypeptides. The synthesis of azide labelled end functionalized glycopolypeptides and amphiphilic diblock copolypeptides is also reported. This methodology represents an easy and practical route to the synthesis of O-glycosylated polypeptides with 100\% glycosylation.

}, issn = {1759-9954}, doi = {10.1039/c0py00412j}, author = {Pati, Debasis and Shaikh, Ashif Y. and Hotha, Srinivas and Sen Gupta, Sayam} } @article { ISI:000293436100018, title = {Synthesis of novel dihydrooxazine and oxazoline based sugar hybrids from sugar azides}, journal = {Tetrahedron Letters}, volume = {52}, number = {33}, year = {2011}, month = {AUG}, pages = {4313-4315}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A convenient one-step method for the synthesis of novel dihydrooxazine and oxazoline based sugar hybrids is reported starting from the readily accessible sugar azides and aldehydes. We have used Aube{\textquoteright}s protocol to achieve this transformation. The resulting glycoconjugates could be used to increase the diversity on the sugar backbone and may find applications as potential glycomimetics and in drug discovery. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Dihydrooxazine, Glycoconjugate, Hydroxy azide, Oxazoline, Sugar azide, Sugar hybrids}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.06.035}, author = {Kurhade, Suresh E. and Ravula, Sudhir and Siddaiah, V. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000295187300051, title = {Synthesis of poly-L-glutamic acid grafted silica nanoparticles and their assembly into macroporous structures}, journal = {Langmuir}, volume = {27}, number = {19}, year = {2011}, month = {OCT}, pages = {12124-12133}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Polypeptide-coated silica nanoparticles represent an interesting class of organic inorganic hybrids since the ordered secondary structure of the polypeptide grafts imparts functional properties to these nanoparticles. The synthesis of a poly-L-glutamic acid (PLGA) silica nanoparticle hybrid by employing N-carboxyanhydride (NCA) polymerization to synthesize the polypeptide chains and Cu catalyzed azide alkyne cycloaddition reaction to graft these chains onto the silica surface is reported. This methodology enables the synthesis of well-defined polypeptide chains that are attached onto the silica surface at high surface densities. The PLGA-silica conjugate particles are well dispersed in water, and have been thoroughly characterized using multinuclear (C-13, Si-29) solid state NMR, thermogravimetric analysis, Fourier transform infrared, dynamic light scattering, and transmission electron microscopy. The pH-dependent reversible aggregation of the PLGA-silica particles, driven by the change in PLGA structure, has also been studied. Preliminary results on the use of aqueous dispersions of silica-PLGA for the preparation of three-dimensional macroporous structures with oriented pores by ice templating methodology are also demonstrated. These macroporous materials, comprising a biocompatible polymer shell covalently attached to rigid inorganic cores, adopts an interesting lamellar structure with fishbone-type architecture.

}, issn = {0743-7463}, doi = {10.1021/la202036c}, author = {Kar, Mrityunjoy and Pauline, Minois and Sharma, Kamendra and Kumaraswamy, Guruswamy and Sen Gupta, Sayam} } @article { ISI:000286860900003, title = {Synthesis of silver nanoparticles in an aqueous suspension of graphene oxide sheets and its antimicrobial activity}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {83}, number = {1}, year = {2011}, month = {MAR}, pages = {16-22}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A solution-based approach to the synthesis of silver (Ag) nanoparticles by chemical reduction of AgNO3 in a graphene oxide (GrO) suspension is demonstrated. X-ray diffraction and transmission electron microscopy indicate that the Ag nanoparticles, of size range 5-25 nm, were decorated on the GrO sheets. The size and shape of the Ag nanoparticles are dependent on the concentration of the AgNO3 solution. Antimicrobial activity of such hybrids materials is investigated against the Gram negative bacteria Escherichia coli and Pseudomonous aeruginosa. The bacterial growth kinetics was monitored in nutrient broth supplemented with the Ag nanoparticle-GrO suspension at different conditions. It was observed that P. aeruginosa is comparatively more sensitive to the Ag nanoparticle-GrO suspension. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Antimicrobial activity, Escherichia coli, graphene oxide, Pseudomonous aeruginosa, Silver nanoparticle}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2010.10.033}, author = {Das, Manash R. and Sarma, Rupak K. and Saikia, Ratul and Kale, Vinayak S. and Shelke, Manjusha V. and Sengupta, Pinaki} } @article { ISI:000286995800020, title = {Synthesis of tetrahydro-5-azaindoles and 5-azaindoles using pictet-spengler reaction-appreciable difference in products using different acid catalysts}, journal = {Tetrahedron}, volume = {67}, number = {5}, year = {2011}, month = {FEB}, pages = {936-942}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Pictet-Spengler condensation of 2-(aryl)-2-(1H-pyrrol-2-yl)ethanamines using conventional acid catalysts like TMSCl or TFA resulted in the formation of substituted 5-azaindoles involving a tandem one pot four steps reaction sequence. By contrast use of glacial acetic acid furnished the targeted tetrahydro-5-azaindoles in diastereoselective manner. These were readily dehydrogenated to 5-azaindoles. (C) 2010 Elsevier Ltd. All rights reserved.

}, keywords = {2-(Aryl)-2-(1H-pyrrol-2-yl)ethanamines, 4, 7-Disubstituted-5-azaindoles, 7-Disubstituted-tetrahydro-5-azaindoles, Diastereoselective Pictet-Spengler reaction}, issn = {0040-4020}, doi = {10.1016/j.tet.2010.12.003}, author = {Shumaila, Abdullah M. A. and Puranik, Vedavati G. and Kusurkar, Radhika S.} } @article { ISI:000294593400012, title = {Thermal epimerization of inositol 1,3-benzylidene acetals in the molten state}, journal = {Tetrahedron}, volume = {67}, number = {38}, year = {2011}, month = {SEP}, pages = {7280-7288}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

1,3-O-Benzylidene-2,4,5,6-tetra-O-substituted-myo-inositol derivatives obtained by the DIBAL-H reduction of the corresponding myo-inositol 1,3,5-orthobenzoate derivatives undergo epimerization at the acetal carbon on heating, in the molten state, just above their melting point. The same epimerization reaction does not proceed either in the crystalline state or in solution. DFT calculations suggest that the epimeric acetal obtained by this thermal process is relatively more stable than the starting acetal. Either of these acetals could not be obtained by the reaction of the corresponding inositol derived diol with benzaldehyde. These observations constitute a novel reaction solely in the molten state, which are rarely encountered in the literature. X-ray crystal structures of the epimeric acetals as well as their radical deoxygenation reaction are also reported. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {cyclitols, Deoxygenation, Epimerization, Melt, Xanthate}, issn = {0040-4020}, doi = {10.1016/j.tet.2011.07.044}, author = {Gurale, Bharat P. and Krishnaswamy, Shobhana and Vanka, Kumar and Shashidhar, Mysore S.} } @article { ISI:000287839600014, title = {Tin incorporated periodic mesoporous organosilicas (Sn-PMOs): synthesis, characterization, and catalytic activity in the epoxidation reaction of olefins}, journal = {Catalysis Communications}, volume = {12}, number = {7}, year = {2011}, month = {MAR}, pages = {629-633}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Tin incorporated mesoporous organosilicas (Sn-PMO) having uniform hexagonal arrangements were prepared using alkyl trimethylammonium bromide surfactants under basic reaction conditions. Characterization techniques revealed that the structural ordering, morphology, and the percentage of tin incorporation depend critically on the hydrophobic chain length of surfactants. The Sn-PMO samples are thermally stable up to 500 degrees C under air atmosphere and were hydrothermally stable up to 100 h in boiling water. The organotinsilicates showed excellent catalytic activity and reusability in the epoxidation of norbornene and ciscyclooctene than an Sn-MCM-41 due to organic groups in the frame wall positions and the better accessibility of reactants to the active sites. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {epoxidation, Hydrothermal stability, Mesoporous, Organosilica, Sn-MCM-41, Sn-PMO}, issn = {1566-7367}, doi = {10.1016/j.catcom.2010.11.025}, author = {Sisodiya, Sheetal and Shylesh, S. and Singh, A. P.} } @article { ISI:000292479300036, title = {Total synthesis of isofregenedadiol}, journal = {Organic Letters}, volume = {13}, number = {14}, year = {2011}, month = {JUL}, pages = {3690-3693}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of isofregenedadiol, a bicyclic diterpene isolated from H. Viscosum, is reported starting from a D-(-)-pantolactone chiral pool. A one-pot quadruple reaction sequence comprising an enyne ring-closing metathesis/cross-metathesis/Diels-Alder/aromatization for the construction of a target skeleton Is the highlight of the present synthesis.

}, issn = {1523-7060}, doi = {10.1021/ol201336x}, author = {Kurhade, Suresh E. and Sanchawala, Abbas I. and Ravikumar, Velayutham and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000286868600075, title = {Toward an understanding of the molecular level properties of ziegler-natta catalyst support with and without the internal electron donor}, journal = {Journal of Physical Chemistry C}, volume = {115}, number = {5}, year = {2011}, month = {FEB}, pages = {1952-1960}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two Ziegler-Natta catalysts supported on molecular adducts, namely, MgCl2 center dot 6EtOH (ME) and MgCl2 center dot 5EtOH center dot EtOOCPh (Est-ME), have been prepared. A systematic effort has been made to unravel the molecular level structure property relationships of the catalysts and adducts. Ethylbenzoate is an internal electron donor, and its in situ formation through EtOH+PhCOCl coupling is successfully achieved. The above adduct has been treated with TiCl4, and the resultant catalyst (Ti/Est-ME) is evaluated for ethylene polymerization activity. Rand C-13 CP/MAS NMR of Est-ME (Ti/Est-ME) show carbonyl features at 1730 (1680) cm(-1) and 169 (170) delta, respectively, providing direct support for the presence of ester as an integral part. In spite of low surface area, Ti/Est-ME gives higher yield for ethylene polymerization than the one derived from ME. The results indicate that electronic environment is more important than surface area or any other single factor in determining the polymerization activity.

}, issn = {1932-7447}, doi = {10.1021/jp1078289}, author = {Thushara, K. S. and Gnanakumar, Edwin S. and Mathew, Renny and Jha, Ratnesh Kumar and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Sarma, Krishna and Padmanabhan, Sudhakar and Bhaduri, Sumit and Gopinath, Chinnakonda S.} } @article {42522, title = {Urea/thiourea derivatives and Zn(II)-DPA complex as receptors for anionic recognition-a brief account}, journal = {Journal of Chemical Sciences}, volume = {123}, year = {2011}, month = {OCT}, pages = {175{\textendash}186}, abstract = {

This review covers few examples of anion complexation chemistry, with a special focus on urea/thiourea-based receptors and Zn(II)-dipicolyl amine-based receptors. This article specially focuses on structural aspects of the receptors and the anions for obtaining the desire specificity along with an efficient receptor{\textendash}anion interaction. Two types of receptors have been described in this brief account; first one being the strong hydrogen bond donor urea/thiourea derivatives, which binds the anionic analytes through hydrogen bonded interactions; while, the second type of receptors are coordination complexes, where the coordination of the anion to the metal centre. In both the cases the anion binding modulate the energy gap between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) and thereby the spectroscopic response. Appropriate choice of the signalling unit may allow probing the anion binding phenomena through visual detection.

}, doi = {10.1007/s12039-011-0151-y}, author = {Das, Priyadip and Mahato, Prasenjit and Ghosh, Amrita and Mandal, Amal Kumar and Banerjee, Tanmay and Saha, Sukdeb and Das, Amitava} } @article {42744, title = {User-friendly [(diglyme)NiBr2]-catalyzed direct alkylations of heteroarenes with unactivated alkyl halides through c?h bond cleavages}, journal = {Advanced Synthesis \& Catalysis}, volume = {353}, year = {2011}, month = {DEC}, pages = {3325{\textendash}3329}, abstract = {

A nitrogen and phosphorus ligand-free catalytic system derived from inexpensive [(diglyme)NiBr2] allowed for efficient direct C[BOND]H bond alkylations of heteroarenes with unactivated β-hydrogen-containing alkyl halides under basic reaction conditions.

}, doi = {10.1002/adsc.201100487}, author = {Ackermann, Lutz and Punji, Benudhar and Song, Weifeng} } @article { ISI:000292022700003, title = {Validation and application of auxiliary density perturbation theory and non-iterative approximation to coupled-perturbed Kohn-Sham approach for calculation of dipole-quadrupole polarizability}, journal = {Chemical Physics Letters}, volume = {510}, number = {4-6}, year = {2011}, month = {JUL}, pages = {185-190}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Recently, two non-iterative approaches have been proposed to calculate response properties within density functional theory (DFT). These approaches are auxiliary density perturbation theory (ADPT) and the non-iterative approach to the coupled-perturbed Kohn-Sham (NIA-CPKS) method. Though both methods are non-iterative, they use different techniques to obtain the perturbed Kohn-Sham matrix. In this Letter, for the first time, both of these two independent methods have been used for the calculation of dipole-quadrupole polarizabilities. To validate these methods, three tetrahedral molecules viz., P-4; CH4 and adamantane (C10H16) have been used as examples. The comparison with MP2 and CCSD proves the reliability of the methodology. (C) 2011 Elsevier B. V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2011.05.032}, author = {Shedge, Sapana V. and Pal, Sourav and Koester, Andreas M.} } @article {43239, title = {What drives the redox properties of model green fluorescence protein chromophores?}, journal = {Journal of Physical Chemistry Letters}, volume = {2}, year = {2011}, month = {SEP}, abstract = {We report the first experimental determination of the oxidation potentials E-ox(0). (relative to the standard hydrogen electrode, SHE) of model green fluorescent protein (GFP) chromophores. Para-, meta, and ortho-hydroxy (4-hydroxybenzylidene-2,3-dimethylimidazolinone, HBDI) and methoxy (MeOBDI) derivatives were studied. E-ox(0) of the three isomers in acetonitrile are -1.31, -1.52, and -1.39 V, respectively. Electronic structure calculations reproduce the observed differences between the isomers and reveal that E-ox(0) follows the ionization energies (IEs), that is, p-MeOBDI has the lowest IE (6.96 eV in the gas phase) due to resonance stabilization of its cation, whereas the resonance is detuned in m-MeOBDL resulting in more-negative E-ox(0). The observed meta and ortho effects in E-ox(0) are similar to the trends in pK(a). The effect of increased solvent polarity on absolute.E-ox(0) (and especially on para-meta-ortho differences) was found to be small. The redox properties of GFP chromophores are driven by their structure and can be correlated with IEs, which can be exploited in predicting the properties of other fluorescent protein chromophores.}, doi = {10.1021/jz2011397}, author = {Solntsev, Kyril M. and Ghosh, Debashree and Amador, Adrian and Josowicz, Mira and Krylov, Anna I.} } @article {42534, title = {Zn(II) and Cd(II)-based complexes for probing the enzymatic hydrolysis of Na4P2O7 by alkaline phosphatase in physiological conditions}, journal = {Chemical Communications}, volume = {47}, year = {2011}, month = {SEP}, pages = {8118-8120}, abstract = {

Newly synthesized Zn(II) and Cd(II)-based complexes show unique selectivity towards inorganic pyrophosphate (PPi) in 100\% aqueous medium at pH = 7.4 and act as a "turn-on" and "turn-off" real-time assay, respectively, for the evaluation of the enzymatic activity of alkaline phosphatase.

}, doi = {10.1039/C1CC12682B}, author = {Das, Priyadip and Sourish, Bhattacharya and Sandhya, Mishra and Das, Amitava} } @article {42525, title = {Zn(II)-cyclam based chromogenic sensors for recognition of atp in aqueous solution under physiological conditions and their application as viable staining agents for microorganism}, journal = {Inorganic Chemistry}, volume = {50}, year = {2011}, month = {MAR}, pages = {4162{\textendash}4170}, abstract = {

Two chromogenic complexes, L.Zn (where L is (E)-4-((4-(1,4,8,11-tetraazacyclotetradecan-1-ylsulfonyl)phenyl)diazenyl)-N,N-dimethylaniline) and its [2]pseudorotaxane form (α-CD.L.Zn), were found to bind preferentially to adenosine triphosphate (ATP), among all other common anions and biologically important phosphate (AMP, ADP, pyrophosphate, and phosphate) ions in aqueous HEPES buffer medium of pH 7.2. Studies with live cell cultures of prokaryotic microbes revealed that binding of these two reagents to intercellular ATP, produced in situ, could be used in delineating the Gram-positive and the Gram-negative bacteria. More importantly, these dyes were found to be nontoxic to living microbes (eukaryotes and prokaryotes) and could be used for studying the cell growth dynamics. Binding to these two viable staining agents to intercellular ATP was also confirmed by spectroscopic studies on cell growth in the presence of different respiratory inhibitors that influence the intercellular ATP generation.

}, doi = {10.1021/ic200223g}, author = {Mahato, Prasenjit and Ghosh, Amrita and Mishra, Sanjiv K. and Shrivastav, Anupama and Mishra, Sandhya and Das, Amitava} } @article { ISI:000313235300008, title = {4(R/S)-Amino/guanidino-substituted proline peptides: design, synthesis and DNA transfection properties}, journal = {Chimia}, volume = {66}, number = {12, 1}, year = {2012}, month = {DEC}, pages = {936-940}, publisher = {SWISS CHEMICAL SOC}, address = {SCHWARZTORSTRASSE 9, CH-3007 BERN, SWITZERLAND}, abstract = {

Collagen is a major structural protein found in the connective tissues of higher organisms and mammals and its biomechanical properties are related to the high thermal stability of its triple helical structure. The primary structure of collagen is composed of the repeating tripeptide motif of Pro-Hyp-Gly, where Hyp is 4R-hydroxy proline. Cationic collagen mimetics consisting of [Pro(X)-Pro(Y)-Gly](6) where Pro(X) and Pro(Y) are 4(R/S)-amino/guanidine proline have been synthesized and shown to form triplexes more stable than the unmodified collagen peptide [Pro-Hyp-Gly](6). The origin of hyperstability is due to conformational pre-organization of proline pucker arising from the electronegativity of the cationic group. These cationic collagen peptides are shown to be effective cell penetrating and plasmid DNA transfecting agents. The results have potential for design of new collagen mimetics for biomaterial applications and efficient cell penetrating agents for drug delivery applications.

}, keywords = {4-Aminoproline peptides, 4-Guanidino proline peptides, Cationic collagen mimetics, Cell penetrating peptides}, issn = {0009-4293}, doi = {10.2533/chimia.2012.936}, author = {Umashankara, M. and Nanda, Manaswini and Sonar, Mahesh and Ganesh, Krishna N.} } @article { ISI:000310467600030, title = {Achieving molecular stability of racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate through crystal formation}, journal = {Crystengcomm}, volume = {14}, number = {23}, year = {2012}, month = {AUG}, pages = {8010-8016}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Molecular stability of racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate, an early intermediate during the synthesis of phosphoinositols, depends on the phase in which it is stored. This orthoformate is stable when stored in the crystalline form or as solution in common organic solvents. The former has eluded chemists since the preparation of this benzyl ether two decades ago. The difficulty in obtaining crystals of this orthoformate is due to the cleavage of the orthoformate moiety during storage in the gummy state. Dimorphs (form I and form II) of crystalline racemic 4-O-benzyl-myo-inositol-1,3,5-orthoformate, were obtained when the gummy sample was stored over extended periods of time. Form I crystals could be obtained consistently, by crystallization of a frozen (-20 degrees C) solid sample, from a solution of dichloromethane- light petroleum. The two crystal forms display dissimilar patterns of hydrogen bonding and molecular assembly in the solid-state.

}, issn = {1466-8033}, doi = {10.1039/c2ce26199e}, author = {Sardessai, Richa and Krishnaswamy, Shobhana and Shashidhar, Mysore S.} } @article { ISI:000298518600028, title = {Adsorption induced enzyme denaturation: the role of protein surface in adsorption induced protein denaturation on allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) copolymers}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {90}, year = {2012}, month = {FEB}, pages = {184-190}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The effects of protein size on adsorption and adsorption-induced denaturation of proteins on copolymers of allyl glycidyl ether (AGE)-ethylene glycol dimethacrylate (EGDM) have been studied. Different responses were observed for the amount of protein adsorbed and denatured on the polymer surface for different proteins (trypsin, alchol dehydrogenase from baker{\textquoteright}s yeast (YADH), glucose dehydrogenase (GDH) from Gluconobacter cerinus, and alkaline phosphates from calf intestinal mucosa (CIAP). Protein adsorption on the copolymer with 25\% crosslink density (AGE-25) was dependent not only on the size of the protein but also on the presence of glycoside residues on the protein surface. Adsorption and denaturation of proteins follows the order YADH \> trypsin \> GDH \>\> CIAP although the molecular weights of the proteins follow the order YADH \> CIAP \> GDH \> trypsin. The lack of correlation between amount of adsorbed protein and its molecular weight was due to the presence of glycoside residues on CIAP and GDH which protect the enzyme surface from denaturation. Enzyme stabilities in aqueous solutions of 1-cyclohexyl-2-pyrrolidinone (CHP) correlate well with the trend in denaturation by the copolymer, strongly suggesting that hydrophobic interactions play a major role in protein binding and the mechanism of protein denaturation is similar to that for water-miscible organic solvents. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {1-Cyclohexyl-2-pyrrolidinone, Adsorption, Alcohol dehydrogenase, Alkaline phosphatase, allyl glycidyl ether, Denaturation, ethylene glycol dimethacrylate, Glucose dehydrogenase, Trypsin}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2011.10.022}, author = {Thudi, Lahari and Jasti, Lakshmi Swarnalatha and Swarnalatha, Y. and Fadnavis, Nitin W. and Mulani, Khudbudin Baban and Deokar, Sarika Babasaheb and Ponrathnam, Surendra} } @article { ISI:000303003300023, title = {Adsorption mechanism and collapse propensities of the full-length, monomeric A beta(1-42) on the surface of a single-walled carbon nanotube: a molecular dynamics simulation study}, journal = {Biophysical Journal}, volume = {102}, number = {8}, year = {2012}, month = {APR}, pages = {1889-1896}, publisher = {CELL PRESS}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, abstract = {

Though nanomaterials such as carbon nanotubes have gained recent attention in biology and medicine, there are few studies at the single-molecule level that explore their interactions with disease-causing proteins. Using atomistic molecular-dynamics simulations, we have investigated the interactions of the monomeric A beta(1-42) peptide with a single-walled carbon nanotube of small diameter. Starting with peptide-nanotube complexes that delineate the interactions of different segments of the peptide, we find rapid convergence in the peptide{\textquoteright}s adsorption behavior on the nanotube surface, manifested in its arrested movement, the convergence of peptide-nanotube contact areas and approach distances, and in increased peptide wrapping around the nanotube. In systems where the N-terminal domain is initially distal from nanotube, the adsorption phenomena are initiated by interactions arising from the central hydrophobic core, and precipitated by those arising from the N-terminal residues. Our simulations and free energy calculations together demonstrate that the presence of the nanotube increases the energetic favorability of the open state. We note that the observation of peptide localization could be leveraged for site-specific drug delivery, while the decreased propensity of collapse appears promising for altering kinetics of the peptide{\textquoteright}s self-assembly.

}, issn = {0006-3495}, doi = {10.1016/j.bpj.2012.03.036}, author = {Jana, Asis K. and Sengupta, Neelanjana} } @article { ISI:000307972400024, title = {Adsorption of methylene blue using green pea peels (Pisum sativum): a cost-effective option for dye-based wastewater treatment}, journal = {Biotechnology and Bioprocess Engineering}, volume = {17}, number = {4}, year = {2012}, month = {AUG}, pages = {862-874}, publisher = {KOREAN SOC BIOTECHNOLOGY \& BIOENGINEERING}, address = {KOREAN SCIENCE TECHNOLOGY CENTER, \#704 YEOGSAM-DONG, KANGNAM-KU, SEOUL 135-703, SOUTH KOREA}, abstract = {

Methylene blue (MB), a common toxic dye, is largely discharged from dyeing processes for acrylic, nylon, silk, and woolen fabrics in textile industries. While application of conventional removal processes like chemical precipitation, ion exchange, commercial activated carbon adsorption, etc often become cost-prohibitive, the adsorption of MB by abundantly available green pea peel (GPP: Pisum sativum) derived and acid-treated carbon (GPP-AC) has proved to be a cost-attractive option in the present study. The physicochemical and morphological characteristics of GPP-AC were examined with the help of XRD, BET surface area, SEM, and Fourier transform infrared spectrophotometry ((FT-IR) analysis. The influences of such adsorption parameters as initial dye concentration, pH, contact time, adsorbent dosage, agitation speed, particle size, and temperature were evaluated and optimized. The equilibrium contact time for maximum adsorption of MB on to GPPAC was found to be 7 h. The equilibrium data of the adsorption process were modeled by using the Langmuir, Freundlich, Temkin, and Dubinin-Raduskevich (D-R) isotherms. However, the adsorption equilibrium data were best described by the Langmuir Isotherm model, with a maximum adsorption capacity of 163.94 mg MB/g GPPAC at 30A degrees C.

}, keywords = {Adsorption, Dubinin-raduskevich, Freundlich, green peas peels, Isotherms, Langmuir, Methylene blue, Temkin}, issn = {1226-8372}, doi = {10.1007/s12257-011-0614-5}, author = {Dod, Ramesh and Banerjee, Goutam and Saini, S.} } @article { ISI:000321561205175, title = {Adsorption of the full length amyloid beta peptide on the carbon nanotube surface and the thermodynamic implications for fibrillogenesis}, journal = {Biophysical Journal}, volume = {102}, number = {3, 1}, year = {2012}, note = {56th Annual Meeting of the Biophysical-Society, San Diego, CA, FEB 25-29, 2012}, month = {JAN}, pages = {732A-733A}, publisher = {Biophys Soc}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Sengupta, Neelanjana and Jana, Asis K.} } @article { ISI:000303249400022, title = {Alkali earth metal (Ca, Sr, Ba) based thermostable metal-organic frameworks (MOFs) for proton conduction}, journal = {Chemical Communications}, volume = {48}, number = {41}, year = {2012}, month = {MAR}, pages = {4998-5000}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{Three new alkaline earth metal based MOFs have been synthesized by using 4,4{\textquoteright}-sulfobisbenzoic acid (SBBA) and alkaline earth metal salts M(NO3)(2)

}, issn = {1359-7345}, doi = {10.1039/c2cc31135f}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Banerjee, Rahul} } @article { ISI:000308957700010, title = {Alpha-geminal dihydroxymethyl piperidine and pyrrolidine iminosugars: synthesis, conformational analysis, glycosidase inhibitory activity, and molecular docking studies}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {18}, year = {2012}, month = {SEP}, pages = {7873-7882}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The Jocic-Reeve and Corey-Link type reaction of dichloromethyllithium with suitably protected 5-keto-hexofuranoses followed by treatment with sodium azide and sodium borohydride reduction gave 5-azido-5-hydroxylmethyl substituted hexofuranoses 7a-c with required geminal dihydroxymethyl group. Removal of protecting groups and converting the C-1 anomeric carbon into free hemiacetal followed by intramolecular reductive aminocyclization with in situ generated C5-amino functionality afforded corresponding 5C-dihydroxymethyl piperidine iminosugars 2a-c. Alternatively, removal of protecting groups in 7b and 7c and chopping of C1-anomeric carbon gave C2-aldehyde that on intramolecular reductive aminocyclization with CS-amino gave 4C-dihydroxyrnethyl pyrrolidine iminosugars 1b and 1c, respectively. On the basis of the H-1 NMR studies, the conformations of 2a/2b were assigned as C-4(1) and that of 2c as C-1(4). The glycosidase inhibitory activities of all five iminosugars were studied with various glycosidase enzymes and compared with natural o-g/uco-l-deoxynojirimycin (DNJ). All the five compounds were found to be potent inhibitors of rice alpha-glucosidase with K-i and IC50 values in the nanomolar concentration range. Iminosugars 2b and 1b were found to be more potent inhibitors than their parent iminosugar. These results were substantiated by in silico molecular docking studies.

}, issn = {0022-3263}, doi = {10.1021/jo3009534}, author = {Pawar, Nitin J. and Parihar, Vijay Singh and Chavan, Sanjay T. and Joshi, Rakesh S. and Joshi, Pranaya V. and Sabharwal, Sushma G. and Puranik, Vedavati G. and Dhavale, Dilip D.} } @article { ISI:000311473600008, title = {Alternate synthesis of enantiomerically pure levetiracetam (Keppra (R))}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {20-21}, year = {2012}, month = {NOV}, pages = {1512-1515}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple and efficient synthesis of levetiracetam has been achieved with high enantiopurity (\>99\%) starting from commercially available benzyl glycidyl ether. The method is amenable for industrial scale-up. (C) 2012 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.10.006}, author = {Mujahid, Mohammad and Mujumdar, P. and Sasikumar, M. and Kunte, S. S. and Muthukrishnan, Murugan} } @article {42507, title = {Alternative approach: a highly selective dual responding fluoride sensor having active methylene group as binding site}, journal = {Org Biomol Chem.}, volume = {10}, year = {2012}, month = {JAN}, pages = {2263-2271}, abstract = {

A newly designed phosphonium derivative (L) having active methylene functionality, shows unusual preference towards F- over all other anions. The binding process through C{\textendash}H...F- hydrogen bond formation was probed by monitoring the changes in either electronic or luminescence spectra. Changes in both cases are significant enough to allow visual detection. The loss of molecular flexibility of L on forming L{\textperiodcentered}F- effectively interrupts the non-radiative deactivation pathway and accounts for the observed switch on fluorescence response. The results of the time-resolved emission studies for L and L{\textperiodcentered}F- using a time-correlated single photon counting technique further corroborate this presumption. The excellent preference of L towards F- is attributed to an efficient hydrogen bonding interaction between the strongly polarized methylene protons and F-, which delineates the subtle difference in the affinity among other competing anionic analytes like CN-, H2PO4-, CH3CO2-, etc. The relative affinities of various anions and the preferential binding of F- to reagent L are also rationalized using computational studies.

}, doi = {10.1039/C2OB06815J}, author = {Das, Priyadip and Kesharwani, Manoj K. and Mandal, Amal K. and Suresh, Eringathodi and Ganguly, Bishwajit and Das, Amitava} } @article {42779, title = {Amino functionalized oligo polyimides with enhanced storage stability}, number = {EP 11817412 A 20111228}, year = {2012}, month = {JUL}, abstract = {

The invention relates to an improved process for the preparation of amino functionalized oligomeric monomeric reactant type polyimides having higher stability. More particularly it relates to a process for the preparation of soluble imide prepolymers, used as matrix resins that can be rapidly cured with multi-functional moieties such as diepoxy, dicarboxyl, anhydride, diisocyanates to form crosslinked structures having enhanced thermal stability and mechanical strength.

}, author = {Dwivedi, Mayank and Rao, Locanindi Hari Sarvothama and Mohan, Srinivasulu Reddy Krishna and Dhanasekharan, Janakiraman and Rao, Bevara Madhusudana and Kumar, Sriperambudur Rajesh and Ponrathnam, Surendra and Rajan, Chelanattukizhakkemadath Raman and Tayal, Rajiv Kumar and Shadbar, Qureshi Mohammed and Chavan, Nayaku and Deokar, Sarika Babasaheb and Mulani, Khudbudin Baban and Ghorpade, Ravindra V. and Bhongale, Sunil Sitaram and Nalawade, Archana Chetan and Sontakke, Kalpana Vishwanathrao and Bhosle, Sonali Madhavrao and Mule, Smita Atmaram and Dhoble, Deepa Arun and John, Aruldoss and Shaikh, Wasif Abdul Lateef and Harikrishna, Reghunathan and Punitharasu, Vellimala and Momin, Mohasin Shamshuddin} } @article { ISI:000308836800013, title = {Aminolysis of epoxides catalyzed by three-dimensional, mesoporous titanosilicates, Ti-SBA-12 and Ti-SBA-16}, journal = {Journal of Catalysis}, volume = {293}, year = {2012}, month = {SEP}, pages = {126-140}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The application of three-dimensional, mesoporous titanosilicates (Ti-SBA-12 and Ti-SBA-16) as reusable, solid catalysts for the synthesis of a range of beta-amino alcohols in high yields and selectivity through ring-opening of epoxides with amines at ambient and solvent-free conditions is reported, for the first time. These mesoporous titanosilicates (Si/Ti = 20-80) were prepared by a direct hydrothermal synthesis route adjusting the concentration of HCl (0.05-2 M) used in the synthesis. Ti ions in these catalysts were mostly substituted for Si in the framework. Water adsorption and Si-29 magic-angle spin nuclear magnetic resonance spectroscopy revealed that Ti-SBA-16 is more hydrophobic than Ti-SBA-12. Mesoporosity, three-dimensional architecture, surface hydrophobicity and easy access of Lewis acidic, framework-substituted Ti sites are the factors responsible for the superior activity of Ti-SBA-16 compared to Ti-SBA-12 and the hitherto known solid catalysts for this reaction. (C) 2012 Elsevier Inc. All rights reserved.

}, keywords = {Aminolysis of epoxides, beta-Amino alcohol, Mesoporous titanosilicates, Molecular sieves, Ring opening of epoxides with amines, Ti-SBA-12, Ti-SBA-16}, issn = {0021-9517}, doi = {10.1016/j.jcat.2012.06.012}, author = {Kumar, Anuj and Srinivas, Darbha} } @article { ISI:000309208000024, title = {Ammonia clathrate hydrates as new solid phases for Titan, Enceladus, and other planetary systems}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {109}, number = {37}, year = {2012}, month = {SEP}, pages = {14785-14790}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

There is interest in the role of ammonia on Saturn{\textquoteright}s moons Titan and Enceladus as the presence of water, methane, and ammonia under temperature and pressure conditions of the surface and interior make these moons rich environments for the study of phases formed by these materials. Ammonia is known to form solid hemi-, mono-, and dihydrate crystal phases under conditions consistent with the surface of Titan and Enceladus, but has also been assigned a role as water-ice antifreeze and methane hydrate inhibitor which is thought to contribute to the outgassing of methane clathrate hydrates into these moons{\textquoteright} atmospheres. Here we show, through direct synthesis from solution and vapor deposition experiments under conditions consistent with extraterrestrial planetary atmospheres, that ammonia forms clathrate hydrates and participates synergistically in clathrate hydrate formation in the presence of methane gas at low temperatures. The binary structure II tetrahydrofuran + ammonia, structure I ammonia, and binary structure I ammonia + methane clathrate hydrate phases synthesized have been characterized by X-ray diffraction, molecular dynamics simulation, and Raman spectroscopy methods.

}, keywords = {ethane, hydrate inhibitors, hydrogen bonding, ice, single crystal X-ray diffraction}, issn = {0027-8424}, doi = {10.1073/pnas.1205820109}, author = {Shin, Kyuchul and Kumar, Rajnish and Udachin, Konstantin A. and Alavi, Saman and Ripmeester, John A.} } @article { ISI:000311350000022, title = {Anchored Pd-complexes in mesoporous supports: synthesis, characterization and catalysis studies for carbonylation reactions}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {154-173}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Pd(pyca)(PPh3)(OTs) [pyca = 2-picolinate] complex is efficiently anchored inside different mesoporous matrices, such as MCM-41, MCM-48, SBA-15 using a molecular aminopropyl tether moiety employing different synthesis strategies. Thorough characterization of the materials using powder XRD, multinuclear (C-13, Si-29, P-31) CP-MAS NMR, XPS, SEM, N-2-sorption studies etc. confirmed the successful anchoring of the palladium complex to the walls of the support matrices thus establishing the synthesis protocols unambiguously. The catalysts were found to be highly active and selective for the carbonylation of different aryl olefins and alcohols. Consecutive recycling and successful reuse proved the stability and true heterogeneous nature of all the anchored catalysts, which is a substantial advancement over the existing heterogeneous catalysts for carbonylation. (C) 2012 Elsevier B. V. All rights reserved.

}, keywords = {Anchored catalysts, Carbonylation, Immobilization, mesoporous materials, Palladium complex}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.04.047}, author = {Sarkar, Bibhas R. and Chaudhari, Raghunath V.} } @article { ISI:000307950000006, title = {Andrographolide inhibits osteopontin expression and breast tumor growth through down regulation of PI3 Kinase/Akt signaling pathway}, journal = {Current Molecular Medicine}, volume = {12}, number = {8}, year = {2012}, month = {SEP}, pages = {952-966}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Breast cancer is one of the most common cancers among women in India and around the world. Despite recent advancement in the treatment of breast cancer, the results of chemotherapy to date remain unsatisfactory, prompting a need to identify natural agents that could target cancer efficiently with least side effects. Andrographolide (Andro) is one such molecule which has been shown to possess inhibitory effect on cancer cell growth. In this study, Andro, a natural diterpenoid lactone isolated from Andrographis paniculata has been shown to inhibit breast cancer cell proliferation, migration and arrest cell cycle at G2/M phase and induces apoptosis through caspase independent pathway. Our experimental evidences suggest that Andro attenuates endothelial cell motility and tumor-endothelial cell interaction. Moreover, Andro suppresses breast tumor growth in orthotopic NOD/SCID mice model. The anti-tumor activity of Andro in both in vitro and in vivo model was correlated with down regulation of PI3 kinase/Akt activation and inhibition of pro-angiogenic molecules such as OPN and VEGF expressions. Collectively, these results demonstrate that Andro may act as an effective anti-tumor and anti-angiogenic agent for the treatment of breast cancer.

}, keywords = {Andrographolide, angiogenesis and breast tumor, migration, osteopontin, PI 3 kinase}, issn = {1566-5240}, author = {Kumar, S. and Patil, H. S. and Sharma, P. and Kumar, D. and Dasari, Sreekanth and Puranik, Vedavati G. and Thulasiram, H. V. and Kundu, G. C.} } @article { ISI:000300871600018, title = {Antagonism of microRNA function in zebrafish embryos by using locked nucleic acid enzymes (LNAzymes)}, journal = {Chembiochem}, volume = {13}, number = {4}, year = {2012}, month = {MAR}, pages = {584-589}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

MicroRNAs (miRNAs) have crucial functions in many cellular processes, such as differentiation, proliferation and apoptosis; aberrant expression of miRNAs has been linked to human diseases, including cancer. Tools that allow specific and efficient knockdown of miRNAs would be of immense importance for exploring miRNA function. Zebrafish serves as an excellent vertebrate model system to understand the functions of miRNAs involved in a variety of biological processes. We designed and employed a strategy based on locked nucleic acid enzymes (LNAzymes) for in vivo knockdown of miRNA in zebrafish embryos. We demonstrate that LNAzyme can efficiently knockdown miRNAs with minimal toxicity to the zebrafish embryos.

}, keywords = {enzymes, locked nucleic acids, microRNA, morpholino, zebrafish}, issn = {1439-4227}, doi = {10.1002/cbic.201100789}, author = {Suryawanshi, Hemant and Lalwani, Mukesh Kumar and Ramasamy, Soundhar and Rana, Rajiv and Scaria, Vinod and Sivasubbu, Sridhar and Maiti, Souvik} } @article { ISI:000305764600011, title = {Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {28}, year = {2012}, month = {MAY}, pages = {5385-5394}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

First synthesis of diaportheone B, an antituberculosis agent isolated from endophytic fungus Diaporthe sp. P133 is reported using two complementary routes, a one step and a three-step sequence. The absolute configuration of diaportheone B was determined by using X-ray crystal structure analysis of its dibromo derivative. In addition, we have prepared several close analogues of diaportheone B and determined their anti-TB potential using Alamar-blue assay (H(37)Rv).

}, issn = {1477-0520}, doi = {10.1039/c2ob25831e}, author = {Swaroop, Pandrangi Siva and Raut, Gajanan N. and Gonnade, Rajesh G. and Verma, Priyanka and Gokhale, Rajesh S. and Reddy, D. Srinivasa} } @article { ISI:000309096400007, title = {Aromatic aldehyde functionalized polycaprolactone and polystyrene macromonomers: synthesis, characterization and aldehyde-aminooxy click reaction}, journal = {Reactive \& Functional Polymers}, volume = {72}, number = {10}, year = {2012}, month = {OCT}, pages = {713-721}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

New bis-aldehyde functionalized initiators, viz, 4,4{\textquoteright}-(4,4{\textquoteright}-(5-hydroxypentane-2,2-diyl)bis(4,1-phenylene))bis(oxy)dibenza ldehyde (1) and 4,4{\textquoteright}-bis(4-(4-(formylphenoxy) phenyl) pentyl 2-bromopropanoate (2) were synthesized starting from commercially available 4,4{\textquoteright}-bis(4-hydroxyphenyl) pentanoic acid. These initiators were utilized, respectively, for ring opening polymerization of E-caprolactone and atom transfer radical polymerization of styrene. Well-defined polycaprolactone macromonomers (M-n(GPC): 2600-19400, PDI: 1.37-1.47) and polystyrene macromonomers (M-n(GPC): 2800-28200, PDI: 1.11-1.16) with bis-aldehyde functionality were synthesized. The kinetic study of styrene polymerization showed controlled polymerization behaviour. The presence of aldehyde functionality in macromonomers was confirmed by H-1 NMR spectroscopy. The reactivity of aldehyde functionality was demonstrated by carrying out aldehyde-aminooxy click reaction of polycaprolactone macromonomer with O-(2-azidoethyl) hydroxylamine which proceeded in a quantitative manner without backbone degradation. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Aldehyde-terminated macromonomers, ATRP, Polycaprolactone, Polystyrene, ROP}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2012.06.020}, author = {Sane, Prakash S. and Tawade, Bhausaheb V. and Palaskar, Dnyaneshwar V. and Menon, Shamal K. and Wadgaonkar, Prakash P.} } @article { ISI:000312607100004, title = {Asymmetric synthesis of (+)-stagonolide C and (-)-aspinolide A via organocatalysis}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {22-23}, year = {2012}, month = {DEC}, pages = {1534-1541}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new enantioselective synthesis of two important fungal metabolites, (+)-stagonolide C and (-)-aspinolide A, has been described from readily available raw materials. Praline catalyzed asymmetric alpha-aminooxylation and Jorgensen{\textquoteright}s epoxidation of aldehydes are the key reactions employed in the introduction of chirality. The formation of the 10-membered lactone core structure was finally accomplished via Steglich esterification and ring closing metathesis reactions. (C) 2012 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.10.007}, author = {Shelke, Anil M. and Rawat, Varun and Suryavanshi, Gurunath and Sudalai, Arumugam} } @article { ISI:000302296000032, title = {Behaviour of density functional theory for electric response properties at distorted geometries of molecules}, journal = {Theoretical Chemistry Accounts}, volume = {131}, number = {2}, year = {2012}, month = {FEB}, pages = {1094}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The role of exchange-correlation is well known for accurate calculations of electric response properties. The exchange-correlation functional in density functional theory (DFT) has been well studied for ground state equilibrium geometry. However, the behaviour of these functional in stretched geometries, where static correlation play an important role, has not been studied systematically, particularly for response electric properties. Thus, we present here the rigorous calculation of electric response properties at distorted geometries of the molecules. We have considered dipole polarizability and dipole-quadrupole polarizability for description of role of static and dynamic correlation for electric response properties. The calculations are performed with our new approach, noniterative approximation to coupled-perturbed Kohn-Sham method. These DFT results are compared with higher level ab initio such as coupled perturbed singles and doubles and fully correlated full CI. We have studied single, double and triple-bonded systems at different inter-nuclear separation. We report here the dipole polarizability and dipole-quadrupole polarizability of HF, BH, H2CO, CO and NO+. We also present the effect of basis and functional on polarizability and dipole-quadrupole polarizability.

}, keywords = {DFT, Dipole-dipole polarizability, Dipole-quadrupole polarizability, Distorted geometry, NIA-CPKS}, issn = {1432-881X}, doi = {10.1007/s00214-012-1094-1}, author = {Shedge, Sapana V. and Joshi, Sayali P. and Pal, Sourav} } @article { ISI:000311350000024, title = {Binapthyl Schiff base diamine complex covalently bonded to modified SBA-15: synthesis, characterization and catalytic application}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {184-188}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Protected mesoporous SBA-15 phase was synthesized by grafting the complex Chloro (S,S)(-)[N-3-tert-butyl-5-chloromethyl salicylidene]-N{\textquoteright}-[3{\textquoteright},5{\textquoteright}-di tert-butyl salicylidene] 1,1{\textquoteright}-binapthyl-2,2{\textquoteright}-diamine manganese(III) through the reactive 3-aminopropyl trimethoxysilane(3-APTMS) group. The surface properties of the functionalized catalyst were analyzed by a series of characterization techniques like elemental analysis, XRD, N-2 sorption measurement isotherm, FT-IR, XPS, and solid state C-13 NMR. The screening of the catalyst Mn(III)-L-SBA-15 and neat Mn(III)-L complexes was done for the oxidation reaction of thioanisole (methyl phenyl sulfide) using TBHP as an oxidant. Mn(III)-L-SBA-15 catalyst shows higher activities and exhibit enantiomeric excess comparable to homogeneous catalyst. (C) 2012 Elsevier B. V. All rights reserved.

}, keywords = {-OH protected NH2-SBA-15, Binaphthyl Schiff base ligand, Ordered mesoporous materials, Sulfoxidation, Thioanisole}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.05.024}, author = {Sharma, Priti and Singh, A. P.} } @article {43072, title = {Bioanalytical method development and validation of levalbuterol a β2-adrenergic agonist by RP-HPLC method}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {4}, year = {2012}, month = {MAR}, pages = {249-253}, author = {Ghemud, A. S. and Santhakumari, B. and Pharne, A. B. and Jadhav, M. M. and Jain, K. S. and Kulkarni, Mahesh J.} } @article {43069, title = {Bioanalytical method development and validation of vildagliptin a novel dipeptidyl peptidase IV inhibitor by RP-HPLC method}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {4}, year = {2012}, month = {JUN}, pages = {119-123}, abstract = {

A simple, selective, rapid, precise and economical Reverse-Phase HPLC method has been developed and validated for quantitative determination of vildagliptin in plasma. Vildagliptin is a potent dipeptidyl peptidase IV inhibitor used for treatment of diabetes. Tolbutamide is used as an internal standard. The method was carried out with UV Spectrophotometric detection using a Perkin Elmer Series 200 HPLC system equipped with XBridge Shield C18 column (3.5 μm, 4.6x150mm) and a guard column of the same type, at a flow rate of 1.0mL/min. Detection was carried out at 210 nm. The mobile phase consisted of 50mM ammonium bicarbonate (pH 7.8) (solvent A) and acetonitrile (solvent B). The retention times of vildagliptin and tolbutamide were 11.2 min and 13.4 min respectively. The method was developed and tested for linearity range of 10μg/ml to 120μg/ml. The developed method was validated in terms of selectivity, accuracy, precision, linearity, and stability study. The proposed method uses less biological material and the method is MS compatible also. Method can be applicable for pharmacokinetic studies using HPLC or LC-MS.

}, author = {Pharne, A. B. and Santhakumari, B. and Ghemud, A. S. and Jain, H. K. and Kulkarni, Mahesh J.} } @article { ISI:000300299500001, title = {Biomimetic synthesis of selenium nanoparticles using cell-free extract of microbacterium sp ARB05}, journal = {Micro \& Nano Letters}, volume = {7}, number = {1}, year = {2012}, month = {JAN}, pages = {1-4}, publisher = {INST ENGINEERING TECHNOLOGY-IET}, address = {MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND}, abstract = {

This Letter is a novel approach to synthesise a bio-functionalised selenium nanoparticles using cell-free extract of selenium-resistant bacterial isolate. Phylogenetic analysis of isolate suggested its close similarity with Microbacterium luteolum (Y17235.1) and Microbacterium oxydans str. TPL09 (EU373379.1) while it was distantly related to Microbacterium dextranolyticum (Y17230.1). Selenium colloidal solution exhibited an absorption maximum at 300 nm and gave emission maximum at 590 nm. Transmission electron microscopy followed by selected area electron diffraction pattern analysis indicated the formation of spherical, polydispersed, crystalline, Se nanoparticles of diameter ranging from similar to 30 to 150 nm. X-ray diffraction results showed 111, 200 and 220 planes of face-centred cubic selenium. Energy dispersive analysis of X-rays confirmed the presence of selenium in nanosphere. Selenium nanoparticles synthesised in this manner can be studied for chemo-prevention as well as its fluorescent property can be utilised for molecular diagnostics in cancer research.

}, issn = {1750-0443}, doi = {10.1049/mnl.2011.0498}, author = {Prasad, K. S. and Vyas, P. and Prajapati, V. and Patel, P. and Selvaraj, K.} } @article { ISI:000303698100011, title = {Calcined, rare earth modified hydrotalcite as a solid, reusable catalyst for dimethyl carbonate synthesis}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {18}, year = {2012}, month = {MAY}, pages = {6356-6363}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An eco-friendly building block and fuel additive dimethyl-carbonate (DMC)-was synthesized through a benign route by transesterification of propylene carbonate (PC) with methanol. The catalytic activity of a series of calcined, rare earth elements (La3+, Ce3+, Pr3+, Sm3+, and Y3+; 2-10 mol \%) incorporated Mg-Al hydrotalcites (HT) was evaluated for this reaction. Among several, the La (8 mol \%) modified HT showed the highest activity (PC conversion = 65.4 mol \% and DMC selectivity = 88 mol \% at 150 degrees C and in 2 h). Basicity of the catalyst played an important role on the transesterification activity. The influence of reaction parameters and calcination temperature on the catalytic activity of HT was investigated. The La modified HT catalyst was heterogeneous and could be reused with little loss of activity.

}, issn = {0888-5885}, doi = {10.1021/ie300678p}, author = {Unnikrishnan, P. and Srinivas, D.} } @article { ISI:000310863400012, title = {Carbohydrate-derived conformationally restricted bicyclic dipeptides as potential hetero foldamer building blocks}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {18-19}, year = {2012}, month = {OCT}, pages = {1400-1404}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Starting from carbohydrate precursors, hetero foldamer building blocks featuring diverse amino acid side chains and stereochemistry have been accessed via a multi-step synthetic protocol. These conformationally restricted bicyclic dipeptide building blocks are characterized by a constrained beta-lactam ring fused with a pyrrolidine ring carrying a hydroxyethylamine isostere (HEA) on the backbone. These building blocks offer the possibility of developing foldamers with interesting structural architectures, conspicuously different from those classically observed. Furthermore, such hetero-building blocks have the potential to augment the conformational space available for foldamer design with diverse backbone conformations and structural architectures. (C) 2012 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.08.007}, author = {Ramesh, Veera V. E. and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI:000309370500004, title = {Carbon dioxide capture by metal organic frameworks}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {9-10, SI}, year = {2012}, month = {SEP}, pages = {1223-1230}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

The design and synthesis of functionalized metal organic framework materials (MOFs) for reversible physisorption of CO2 is discussed. This strategy of CO2 adsorption in MOFs requires less energy for regeneration than materials relying on chemisorption. As a result the MOFs have received considerable attention as sorbent materials for strategic gases such as CO2 and H,. In this review, we have discussed different MOFs and hybrid materials containing MOFs which can adsorb CO2 at room temperature. In order to achieve high adsorption capacity, fast CO2 adsorption-desorption and low energy requirement for regeneration are necessary. Several avenues for increasing the CO2 adsorption capacity of such materials, for instance, introduction of open metal sites and the use of ligand molecules with specific functionalities (like -OH or -NH2) have been described. It has been observed that CO2 loading capacity of MOFs increases with functionalization. Herein, we have discussed how N-containing and fluorinated MOFs are designed to achieve higher CO2 loading than their non-functionalized counterparts. Nanocarbons (e.g. carbon nanotubes, carbon nanofibres, etc.) are porous materials and a blend of these porous materials with porous MOFs or porous carbon derived from MOFs may act as a better adsorbate than even the pure materials. Enhancement of CO2 loading by nanocarbon-MOF hybrid material is also discussed.

}, keywords = {Carbon dioxide adsorbents, Carbon dioxide capture, hybrid materials, Metal organic frameworks, Nanocarbons, Porous nanocarbons}, issn = {0376-4710}, author = {Saha, Subhadeep and Chandra, Suman and Garai, Bikash and Banerjee, Rahul} } @article { ISI:000309370500003, title = {Carbon dioxide capture using amine functionalized silica gel}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {9-10, SI}, year = {2012}, month = {SEP}, pages = {1214-1222}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

Commercially available silica gel is chemically modified for carbon dioxide capture. Calcinated silica gel of certain particle size functionalized with amine using two different methods, wet impregnation and grafting via silane chemistry has been employed as a porous media. The prepared material is characterized by Fourier transform infrared, scanning electron microscopy, energy dispersive analysis of X-rays, thermogravimetry and N-2 physisorption techniques. Gas uptake measurements have been carried out to ascertain the CO2 capture capacity of the amine functionalized material. The experiments have been carried out at moderate pressure and temperature range to ascertain its potential for easy scale up.

}, keywords = {Amine functionalized silica gel, Carbon dioxide capture, grafting, Poly(ethyleneimine), Silane chemistry, Wet impregnation}, issn = {0376-4710}, author = {Sakpal, Tushar and Kumar, Asheesh and Kamble, Sanjay and Kumar, Rajnish} } @article { ISI:000299911600015, title = {Challenges and opportunities in biofuels production}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {1-2}, year = {2012}, month = {JAN}, pages = {174-185}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

Biofuels are attractive alternative to petroleum diesel. They are renewable, non-toxic, biodegradable, carbon neutral and lead to reduced tailpipe emissions. This article presents the current state-of-art processes of their production and discusses the opportunities and future challenges in this area of research.

}, keywords = {Biodiesel, biofuels, Deoxygenation, Hydrotreatment, Renewable fuels, Solid catalysts, Transesterification (fatty acid glycerides), Vegetable oils/fats}, issn = {0376-4710}, author = {Srinivas, Darbha and Satyarthi, Jitendra Kumar} } @article { ISI:000307537300043, title = {Characterization of a new bacillus cereus ATUAVP1846 strain producing penicillin V acylase, and optimization of fermentation parameters}, journal = {Annals of Microbiology}, volume = {62}, number = {3}, year = {2012}, month = {SEP}, pages = {1287-1293}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Penicillin acylases are involved chiefly in the industrial production of semisynthetic penicillins, which remain the most widely used group of antibiotics. We have isolated a new bacterial strain ATUAVP1846 that produces penicillin V acylase (PVA). Phylogenetic analysis using 16S rRNA sequencing showed 99.37\% homology with Bacillus cereus. Maximum PVA production was observed with B. cereus ATUAVP1846 at 30A degrees C, pH 7 after 24 h fermentation time under submerged conditions. Highest enzyme productivity was achieved using sucrose as carbon source, and tryptone and ammonium hydrogen phosphate as nitrogen sources. Minimal medium containing 0.4\% glucose and 0.3\% ammonium hydrogen phosphate was found to be optimal for maximum PVA production from B. cereus ATUAVP1846. The crude enzyme from B. cereus ATUAVP1846 was partially purified using ammonium sulfate fractionation and showed highest enzymatic activity in the hydrolysis of penicillin V at 40A degrees C and pH 6. The crude enzyme preparation also showed unique substrate specificity, preferring ampicillin and cephalexin over penicillin V.

}, keywords = {16S rRNA, Bacillus cereus, isolation, Ntn hydrolase, Optimization, Penicillin acylase}, issn = {1590-4261}, doi = {10.1007/s13213-011-0374-7}, author = {Sunder, Avinash Vellore and Kumar, Atul and Naik, Neha and Pundle, Archana V.} } @article { ISI:000309072200065, title = {Charge transport in functionalized multi-wall carbon nanotube-Nafion composite}, journal = {Journal of Applied Physics}, volume = {112}, number = {5}, year = {2012}, month = {SEP}, pages = {053706}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

The charge transport in sulfonated multi-wall carbon nanotube (sMWNT)-Nafion composite is reported. The scanning electron microscope images of the composite, at 1 and 10 wt \% of sMWNT, show that the nanotubes are well dispersed in polymer matrix, with conductivity values of 0.005 and 3.2 S/cm, respectively; and the percolation threshold is nearly 0.42 wt. \%. The exponent (similar to 0.25) of the temperature dependence of conductivity in both samples indicates Mott{\textquoteright}s variable range hopping (VRH) transport. The conductance in 1 wt. \% sample increases by three orders of magnitude at high electric-fields, consistent with VRH model. The negative magnetoresistance in 10 wt. \% sample is attributed to the forward interference scattering mechanism in VRH transport. The ac conductance in 1 wt. \% sample is expressed by sigma(omega) proportional to omega(s), and the temperature dependence of s follows the correlated barrier hopping model. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4749264]

}, issn = {0021-8979}, doi = {10.1063/1.4749264}, author = {Sangeeth, C. S. Suchand and Kannan, Ramaiyan and Pillai, Vijayamohanan K. and Menon, Reghu} } @article { ISI:000296558300011, title = {Chemical deposition of CuInSe2 thin films by photoelectrochemical applications}, journal = {Journal of Alloys and Compounds}, volume = {511}, number = {1}, year = {2012}, month = {JAN}, pages = {50-53}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Copper indium diselenide films have been synthesized by chemical bath deposition method. The configuration of fabricated cell is n-CuInSe2|NaOH (1 M) + S (1 M) + Na2S (1 M)|C-(graphite). The photoelectrochemical cell characterization of the films is carried out by studying current-voltage characteristics in dark, capacitance-voltage in dark, barrier height measurements, power output, photoresponse and spectral response. The study shows that CuInSe2 thin films are n-type conductivity. The junction ideality factor is found to be 3.81. The flat band potential is found to be 0.763 V. The barrier height value is found to be 0.232 eV. The study of power output characteristic shows open circuit voltage, short circuit current, fill factor and efficiency are found to be 310 mV, 20 mu A, 42.12\% and 0.82\%, respectively. Photoresponse shows lighted ideality factor which is 2.92. Spectral response shows the maximum current observed at 650 nm. (C) 2011 Published by Elsevier B.V.

}, keywords = {Chemical bath deposition, Flat band potential, Photo response, Power output, Spectral response}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2011.04.084}, author = {Hankare, P. P. and Rathod, K. C. and Chate, P. A. and Garadkar, K. M. and Sathe, D. J. and Mulla, Imtiaz S.} } @article { ISI:000303437600007, title = {Chiral crystals from an achiral molecule: 4,6-di-O-benzyl-1,3-O-benzylidene-2-O-(4-methoxybenzyl)-myo-5-inosose}, journal = {Acta Crystallographica Section C-Crystal Structure Communications}, volume = {68}, number = {5}, year = {2012}, month = {MAY}, pages = {O183-O187}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The title achiral compound, C35H34O7, crystallizes in the chiral monoclinic space group P21. The molecules are densely packed to form a helical assembly along the crystallographic twofold screw axis via CH...O and CH...p interactions. Interestingly, the unit-translated helical chains are loosely connected via a rather uncommon edge-to-edge PhH...HPh short contact (H...H = 2.33 angstrom).

}, issn = {0108-2701}, doi = {10.1107/S0108270112010001}, author = {Gurale, Bharat P. and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article { ISI:000312519900005, title = {Cholesterol modulates the structure, binding modes, and energetics of caveolin-membrane interactions}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {50}, year = {2012}, month = {DEC}, pages = {14556-14564}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Caveolin-1 (cav-1) is an important membrane protein that plays a vital role in cellular signaling and trafficking by organizing membrane domains. The peptide interacts with cholesterol-rich membranes and induces large morphological changes in them, forming microdomains such as caveolae. Here, we use coarse-grain molecular dynamics simulations to study the interaction of cav-1 peptides with several model bilayer systems mimicking biological scenarios, such as cholesterol-rich domains, cholesterol-depleted domains, and unsaturated lipid domains. We show that cholesterol modulates the depth as well as orientation of cav-1 binding to membranes. Furthermore, the presence of cholesterol stabilizes more open conformations of cav-1, and we speculate that the binding modes and open conformations could be responsible for inducing morphological changes in the bilayer. We also calculated the partitioning free energy to different bilayers and show that binding to cholesterol-rich bilayers is more favorable than cholesterol-depleted bilayers and the binding to unsaturated bilayers is the least favorable. Binding to cholesterol-rich bilayers also changes the pressure profile of the bilayer to which it is bound and thereby affects the local spontaneous curvature. Our results highlight molecular details of protein-lipid interplay and provide new insights into the effects of cav-1 in tuning the morphology of cholesterol-rich membranes.

}, issn = {1520-6106}, doi = {10.1021/jp3077886}, author = {Sengupta, Durba} } @article { ISI:000306642100056, title = {Cholesterol-tethered platinum II-based supramolecular nanoparticle increases antitumor efficacy and reduces nephrotoxicity}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {109}, number = {28}, year = {2012}, month = {JUL}, pages = {11294-11299}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

Nanoscale drug delivery vehicles have been harnessed extensively as carriers for cancer chemotherapeutics. However, traditional pharmaceutical approaches for nanoformulation have been a challenge with molecules that exhibit incompatible physicochemical properties, such as platinum-based chemotherapeutics. Here we propose a paradigm based on rational design of active molecules that facilitate supramolecular assembly in the nanoscale dimension. Using cisplatin as a template, we describe the synthesis of a unique platinum (II) tethered to a cholesterol backbone via a unique monocarboxylato and O -\> Pt coordination environment that facilitates nanoparticle assembly with a fixed ratio of phosphatidylcholine and 1,2-distearoyl-sn-glycero-3-phosphoethanolamine- N-[amino (polyethylene glycol)-2000]. The nanoparticles formed exhibit lower IC50 values compared with carboplatin or cisplatin in vitro, and are active in cisplatin-resistant conditions. Additionally, the nanoparticles exhibit significantly enhanced in vivo antitumor efficacy in murine 4T1 breast cancer and in K-Ras(LSL/+/)Pten(fl/fl) ovarian cancer models with decreased systemic- and nephro-toxicity. Our results indicate that integrating rational drug design and supramolecular nanochemistry can emerge as a powerful strategy for drug development. Furthermore, given that platinum-based chemotherapeutics form the frontline therapy for a broad range of cancers, the increased efficacy and toxicity profile indicate the constructed nanostructure could translate into a nextgeneration platinum-based agent in the clinics.

}, keywords = {chemotherapy, nanomedicine}, issn = {0027-8424}, doi = {10.1073/pnas.1203129109}, author = {Sengupta, Poulomi and Basu, Sudipta and Soni, Shivani and Pandey, Ambarish and Roy, Bhaskar and Oh, Michael S. and Chin, Kenneth T. and Paraskar, Abhimanyu S. and Sarangi, Sasmit and Connor, Yamicia and Sabbisetti, Venkata S. and Kopparam, Jawahar and Kulkarni, Ashish and Muto, Katherine and Amarasiriwardena, Chitra and Jayawardene, Innocent and Lupoli, Nicola and Dinulescu, Daniela M. and Bonventre, Joseph V. and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article { ISI:000302573400003, title = {Cloning, characterization and impact of up- and down-regulating subabul cinnamyl alcohol dehydrogenase (CAD) gene on plant growth and lignin profiles in transgenic tobacco}, journal = {Plant Growth Regulation}, volume = {66}, number = {3}, year = {2012}, month = {APR}, pages = {239-253}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Both cDNA including 5{\textquoteright}UTR and 3{\textquoteright}UTR and genomic clones of cinnamyl alcohol dehydrogenase (CAD) were isolated and characterized from a pulp-yielding leguminous tree Leucaena leucocephala (LlCAD1). The deduced amino acid sequence shared high identity with orthologous sequences of Acacia mangium x Acacia auriculiformis (83\%), Medicago sativa (83\%), Nicotiana tabaccum (83\%) and Aralia cordata (81\%). Full length cDNA contained 78 bases of 5{\textquoteright}UTR and 283 bases of 3{\textquoteright}UTR, while the genomic clone contained 5 exons and 4 introns. Western blot analysis revealed elevated expression of LlCAD1 in seedling roots and shoots compared to leaves. Sense and antisense CAD tobacco transgenics showed increased and reduced CAD activity accompanied by a change in monomeric lignin composition. Histochemical staining of lignin in down-regulated plants suggested an increase in aldehyde units and a decrease in S/G ratio. Down-regulation of CAD resulted in accumulation of syringic, ferulic, p-coumaric and sinapic acids compared to untransformed controls. These observations were validated by anatomical studies of down-regulated transgenic stems which showed thin walled, elongated phloem and xylem fibres, accompanied by a reduction in the density of vessel elements and amount of secondary xylem when compared to untransformed plants. Furthermore, Klason lignin analysis of CAD antisense transgenics showed 7-32\% reduced lignin and normal phenotype as compared to untransformed plants. Such a reduction was not noticed in up-regulated transgenics. These results demonstrate a unique opportunity to explore the significant role that down-regulation of CAD gene plays in reducing lignin content thereby offering potential benefits to the pulp and paper industry.

}, keywords = {Cinnamyl alcohol dehydrogenase, Lignin down-regulation, Subabul (Leucaena leucocephala), Tobacco}, issn = {0167-6903}, doi = {10.1007/s10725-011-9647-1}, author = {Sirisha, V. L. and Prashant, S. and Kumar, D. Ranadheer and Pramod, S. and Jalaja, N. and Kumari, P. Hima and Rao, P. Maheshwari and Rao, S. Nageswara and Mishra, Preeti and Karumanchi, S. Rao and Khan, Bashir Mohammad and Kishor, P. B. Kavi} } @article { ISI:000302637800012, title = {CN-assisted oxidative cyclization of cyano cinnamates and styrene derivatives: a facile entry to 3-substituted chiral phthalides}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {18}, year = {2012}, month = {MAR}, pages = {3655-3661}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The asymmetric dihydroxylation (AD) of o-cyano cinnamates and styrene derivatives leads to efficient construction of chiral phthalide frameworks in high optical purities. This unique reaction is characterized by unusual synergism between CN and osmate groups resulting in rate enhancement of the AD process. The method is amply demonstrated by the synthesis and the structural/stereochemical assignment of the natural products.

}, issn = {1477-0520}, doi = {10.1039/c2ob25409c}, author = {Reddy, R. Santhosh and Kiran, I. N. Chaithanya and Sudalai, Arumugam} } @article {43249, title = {Comparative genomics of the apicomplexan parasites toxoplasma gondii and neospora caninum: coccidia differing in host range and transmission strategy}, journal = {Plos Pathogens}, volume = {8}, year = {2012}, month = {MAR}, abstract = {Toxoplasma gondii is a zoonotic protozoan parasite which infects nearly one third of the human population and is found in an extraordinary range of vertebrate hosts. Its epidemiology depends heavily on horizontal transmission, especially between rodents and its definitive host, the cat. Neospora caninum is a recently discovered close relative of Toxoplasma, whose definitive host is the dog. Both species are tissue-dwelling Coccidia and members of the phylum Apicomplexa; they share many common features, but Neospora neither infects humans nor shares the same wide host range as Toxoplasma, rather it shows a striking preference for highly efficient vertical transmission in cattle. These species therefore provide a remarkable opportunity to investigate mechanisms of host restriction, transmission strategies, virulence and zoonotic potential. We sequenced the genome of N. caninum and transcriptomes of the invasive stage of both species, undertaking an extensive comparative genomics and transcriptomics analysis. We estimate that these organisms diverged from their common ancestor around 28 million years ago and find that both genomes and gene expression are remarkably conserved. However, in N. caninum we identified an unexpected expansion of surface antigen gene families and the divergence of secreted virulence factors, including rhoptry kinases. Specifically we show that the rhoptry kinase ROP18 is pseudogenised in N. caninum and that, as a possible consequence, Neospora is unable to phosphorylate host immunity-related GTPases, as Toxoplasma does. This defense strategy is thought to be key to virulence in Toxoplasma. We conclude that the ecological niches occupied by these species are influenced by a relatively small number of gene products which operate at the host-parasite interface and that the dominance of vertical transmission in N. caninum may be associated with the evolution of reduced virulence in this species.}, doi = {10.1371/journal.ppat.1002567}, author = {Reid, Adam James and Vermont, Sarah J. and Cotton, James A. and Harris, David and Hill-Cawthorne, Grant A. and Koenen-Waisman, Stephanie and Latham, Sophia M. and Mourier, Tobias and Norton, Rebecca and Quail, Michael A. and Sanders, Mandy and Shanmugam, Dhanasekaran and Sohal, Amandeep and Wasmuth, James D. and Brunk, Brian and Grigg, Michael E. and Howard, Jonathan C. and Parkinson, John and Roos, David S. and Trees, Alexander J. and Berriman, Matthew and Pain, Arnab and Wastling, Jonathan M.} } @article { ISI:000300887700023, title = {Competition between gelation and crystallisation of a peculiar multicomponent liquid system based on ammonium salts}, journal = {Soft Matter}, volume = {8}, number = {12}, year = {2012}, month = {FEB}, pages = {3446-3456}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An exemplar competition between gelation and crystallisation phenomena was examined with an unusual synergistic multicomponent (organo) gelator solution (MGS), which consists of a well-defined methanolic solution of (1R, 2R)-1,2-diaminocyclohexane L-tartrate containing 2.4 equiv. of concentrated hydrochloric acid. The optimal composition of the MGS was determined through meticulous solubility, gelation and structural studies, which support a transient gelation mechanism based on the kinetic self-assembly of the tartrate salt driven by hydrogen-bonding interactions, involving ammonium nitrogen donors and hydroxyl oxygen acceptors, and electrostatic interactions. The hydrochloric acid is involved in the solubilisation of the salt through an ionic dissociation-exchange process, which ends up with the formation-precipitation of (1R, 2R)-1,2-diaminocyclohexane dihydrochloride. As a consequence, an irreversible destruction of the gel takes place, which indicates the metastable nature of this phase that cannot be accessed from the thermodynamically equilibrated state. Gelation of a variety of oxygenated and nitrogenated solvents with moderate polarity occurred efficiently using extremely low MGS concentrations at low temperatures, and the gel phase was confirmed by dynamic rheological measurements. Several features make the described MGS unique: (1) it is a multicomponent solution where each component and its stoichiometry play a key role in the reproducible formation and stabilization of the gels; (2) it is formed by simple, small, and commercially available chiral building blocks (dissolved in a well-defined solvent system), which are easily amenable for further modifications; (3) the gelation phenomenon takes place efficiently at low temperature upon warming up the isotropic solution, conversely to the typical gel preparation protocol; and (4) the formed organogels are not thermoreversible despite the non-covalent interactions that characterize the 3D-network.

}, issn = {1744-683X}, doi = {10.1039/c2sm07183e}, author = {Kapoor, Iti and Schoen, Eva-Maria and Bachl, Jurgen and Kuehbeck, Dennis and Cativiela, Carlos and Saha, Subhadeep and Banerjee, Rahul and Roelens, Stefano and Juan Marrero-Tellado, Jose and Diaz, David Diaz} } @article { ISI:000305766800017, title = {Computational fluid dynamics modelling of solid suspension in stirred tanks}, journal = {Current Science}, volume = {102}, number = {11}, year = {2012}, month = {JUN}, pages = {1539-1551}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Solid suspension and mixing are crucial in many important processes, including multiphase catalytic reactions, crystallization, precipitation, etc. In recent years, various efforts have been made to numerically simulate solid-liquid flows in stirred vessels using computational fluid dynamics (CFD). In this article, we present a brief account of our group{\textquoteright}s efforts at developing and using CFD models for simulating solid suspension in stirred tanks. Computational models were developed and evaluated by comparing model predictions with our data as well as published experimental data. A variety of experimental techniques ranging from torque and wall pressure fluctuations to ultrasound velocity profiler were used. Efforts were made to develop appropriate sub-models for capturing influence of the prevailing turbulence and solid volume fraction on effective inter-phase coupling terms. A hysteresis in variation of the height of the cloud of suspended solid with impeller rotational speed was observed. The hysteresis, besides having applications in realizing better suspension at lower effective power consumption, also offers an attractive evaluation test for CFD models. A new way to carry out dynamic settling of solid cloud by sudden impeller stoppage has been developed. The approach, models and results presented here will be useful for extending applications of CFD models for simulating industrial stirred slurry reactors as well as further research in the field.

}, keywords = {computational fluid dynamics, hysteresis, solid suspension, stirred tanks}, issn = {0011-3891}, author = {Sardeshpande, Madhavi V. and Ranade, Vivek V.} } @article { ISI:000304851500004, title = {Concise synthesis of (+)-deoxoprosophylline via Co(III)(salen)-catalyzed two stereocentered HKR of racemic azido epoxides}, journal = {Tetrahedron Letters}, volume = {53}, number = {26}, year = {2012}, month = {JUN}, pages = {3213-3215}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient synthesis of (+)-deoxoprosophylline has been achieved in high optical purity (99\% ee) from readily available cis-2-butene-1,4-diol. The strategy employs Co-catalyzed Hydrolytic Kinetic Resolution (HKR) of two stereocentered racemic azido epoxides and diastereoselective intramolecular reductive cyclization as key reactions. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Azido epoxide, Hydrolytic kinetic resolution, Piperidine, Wittig olefination}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.04.067}, author = {Devalankar, Dattatray A. and Sudalai, Arumugam} } @article { ISI:000303281500046, title = {Confinement of zinc oxide nanoparticles in ordered mesoporous silica MCM-41}, journal = {Materials Chemistry and Physics}, volume = {133}, number = {2-3}, year = {2012}, month = {APR}, pages = {850-856}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Mesoporous silica (MS) and zinc loaded MS composites have been synthesized and characterized using high resolution transmission electron microscopy, X-ray diffraction, UV-visible spectroscopy, photoluminescence spectroscopy, N-2 adsorption-desorption isotherms, X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy. Thermal treatment of the zinc loaded MS composite lead to the formation of ZnO-MS composite. The well ordered uniform pore structure of MS (pore size similar to 3.4 nm) is found to remain stable even after 30\% Zn loading albeit decrease in the pore size 1.2 nm indicates the formation of ZnO inside the pores. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Defect, Energy spectroscopy for chemical analysis (ESCA), Mesoporous, Photoluminescence spectroscopy, Surface properties}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2012.01.106}, author = {Lihitkar, P. B. and Violet, Samuel and Shirolkar, Mandar and Singh, Jai and Srivastava, O. N. and Naik, R. H. and Kulkarni, S. K.} } @article { ISI:000310215400007, title = {Conformational modulation of Ant-Pro oligomers using chirality alteration of proline residues}, journal = {Organic \& Biomolecular Chemistry}, volume = {10}, number = {42}, year = {2012}, month = {SEP}, pages = {8426-8433}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Structural modulation of Ant-Pro (anthranilic acid-proline) oligomers has been carried out by chirality alteration of the proline residues. The results suggest that the chirality altered oligomers show well-defined helical conformation featuring nine-membered hydrogen bonding interactions - without compromising conformational rigidity.

}, issn = {1477-0520}, doi = {10.1039/c2ob26132d}, author = {Kale, Sangram S. and Kotmale, Amol S. and Dutta, Achintya Kumar and Pal, Sourav and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article {Dutta Chowdhury, title = {Conformational transitions of the catalytic domain of heme-regulated eukaryotic initiation factor 2 alpha kinase, a key translational regulatory molecule}, journal = {Journal of Fluorescence}, volume = {22}, number = {1}, year = {2012}, month = {JAN}, pages = {431-441}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

In mammalian cells, the heme-regulated inhibitor (HRI) plays a critical role in the regulation of protein synthesis at the initiation step through phosphorylation of a-subunit of the eukaryotic initiation factor 2 (eIF2). In this study we have cloned and performed biophysical characterization of the kinase catalytic domain (KD) of rabbit HRI. The KD described here comprises kinase 1, the kinase insertion domain (KI) and kinase 2. We report here the existence of an active and stable monomer of HRI (KD). The HRI (KD) containing three tryptophan residues was examined for its conformational transitions occurring under various denaturing conditions using steady-state and time-resolved tryptophan fluorescence, circular dichroism (CD) and hydrophobic dye binding. The parameter A and phase diagram analysis revealed multi-state unfolding and existence of three stable intermediates during guanidine hydrochloride (Gdn-HCl) induced unfolding of HRI (KD). The protein treated with 6 M Gdn-HCl showed collisional and static mechanism of acrylamide quenching and the constants (K-sv=3.08 M-1 and K-s=5.62 M-1) were resolved using time resolved fluorescence titration. Based on pH, guanidine hydrochloride and temperature mediated transitions, HRI (KD) appears to exemplify a rigid molten globule-like intermediate with compact secondary structure, altered tertiary structure and exposed hydrophobic patches at pH 3.0. The results indicate the inherent structural stability of HRI (KD), a member of the class of stress response proteins.

}, keywords = {Circular dichroism (CD), eIF2 alpha kinase, Heme-regulated inhibitor, Molten globule, Steady-state and time-resolved fluorescence}, issn = {1053-0509}, doi = {10.1007/s10895-011-0976-2}, author = {Sreejith, R. K. and Suresh, C. G. and Bhosale, Siddharth H. and Bhavnani, Varsha and Kumar, Avinash and Gaikwad, Sushama M. and Pal, Jayanta K.} } @article { ISI:000303951600008, title = {Controlled synthesis of O-glycopolypeptide polymers and their molecular recognition by lectins}, journal = {Biomacromolecules}, volume = {13}, number = {5}, year = {2012}, month = {MAY}, pages = {1287-1295}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The facile synthesis of high molecular weight water-soluble O-glycopolypeptide polymers by the ring-opening polymerization of their corresponding N-carboxyanhydride (NCA) in very high yield (overall yield \> 70\%) is reported. The per-acetylated-O-glycosylated lysine-NCA monomers, synthesized using stable glycosyl donors and a commercially available protected amino acid in very high yield, was polymerized using commercially available amine initiators. The synthesized water-soluble glycopolypeptides were found to be alpha-helical in aqueous solution. However, we were able to control the secondary conformation of the glycopolypeptides (alpha-helix vs nonhelical structures) by polymerizing raceznic amino acid glyco NCAs. We have also investigated the binding of the glycopolypeptide poly(alpha-manno-O-lys) with the lectin Con-A using precipitation and hemagglutination assays as well as by isothermal titration calorimetry (ITC). The ITC results clearly show that the binding process is enthalpy driven for both alpha-helical and nonhelical structures, with negative entropic contribution. Binding stoichiometry for the glycopolypeptide poly(alpha-manno-O-lys) having a nonhelical structure was slightly higher as compared to the corresponding polypeptide which adopted an alpha-helical structure.

}, issn = {1525-7797}, doi = {10.1021/bm201813s}, author = {Pati, Debasis and Shaikh, Ashif Y. and Das, Soumen and Nareddy, Pavan Kumar and Swamy, Musti J. and Hotha, Srinivas and Sen Gupta, Sayam} } @article { ISI:000307188100016, title = {Conversion of cellulose to polyols over promoted nickel catalysts}, journal = {Catalysis Science \& Technology}, volume = {2}, number = {9}, year = {2012}, month = {MAY}, pages = {1852-1858}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Sorbitol is one of the key platform chemicals that can be applied to several industrial applications, including bio-fuels and hydrogen production. Presently there is no commercial heterogeneous catalytic process to produce sorbitol from cellulose due to the low yield and high cost of noble metals required for the conversion. In this paper we describe an aqueous phase hydrolysis-hydrogenation process to convert cellulose to sorbitol using a cheap Ni based catalyst. Monometallic Ni catalysts showed little activity for the reaction, but with the addition of a small amount of Pt to the Ni catalyst (Ni : Pt = 22 : 1 atom ratio), the activity was greatly enhanced. Results showed that the bimetallic Ni-Pt catalysts supported on mesoporous alumina gave a hexitol (sorbitol + mannitol) yield of 32.4\% compared to only 5\% with a Ni catalyst. Moreover, Ni-Pt supported on a mesoporous beta zeolite support provided even higher yield of 36.6\%. These results were obtained after only 6 hours of run at 200 degrees C and 50 bar H-2 pressure (at room temperature). The presence of a small amount of Pt promotes the protonation of water and hydrogen molecules, which spill over to Ni sites creating in situ acid sites to catalyse hydrolysis of cellulose.

}, issn = {2044-4753}, doi = {10.1039/c2cy20119d}, author = {Shrotri, Abhijit and Tanksale, Akshat and Beltramini, Jorge Norberto and Gurav, Hanmant and Chilukuri, Satyanarayana V.} } @article { ISI:000306771600005, title = {Covalently anchored ruthenium-phosphine complex on mesoporous organosilica: catalytic applications in hydrogenation reactions}, journal = {Catalysis Communications}, volume = {25}, year = {2012}, month = {AUG}, pages = {22-27}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

New heterogeneous catalysts for alkene hydrogenation reactions were prepared by the immobilization of trimethoxysilane functionalized triphenylphosphine eta(6)-p-cymene ruthenium complex on mesoporous organosilica (PMO-Ru). Characterization techniques confirmed the structural integrity of the organosilica material and proved the successful anchoring of ruthenium complex. Catalytic activity and stability of PMO-Ru sample investigated in the hydrogenation of various olefins showed higher activity than a neat and MCM-41 supported ruthenium catalyst. High catalytic activity and stability of organosilica supported ruthenium catalyst are attributed to the hydrophobic environments and to the unique structural features imparted from the presence of organic groups in the framewall positions. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Heterogenization, Hydrogenation, Organosilica, ruthenium, Triphenyl phosphine}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.04.002}, author = {Sisodiya, Sheetal and Lazar, Anish and Shylesh, Sankaranarayanapillai and Wang, Lei and Thiel, Werner R. and Singh, Anand Pal} } @article { ISI:000301921300006, title = {Crystallization and X-ray structure analysis of a thermostable penicillin G acylase from alcaligenes faecalis}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {68}, number = {3}, year = {2012}, month = {MAR}, pages = {273-277}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

{The enzyme penicillin G acylase (EC 3.5.1.11) catalyzes amide-bond cleavage in benzylpenicillin (penicillin G) to yield 6-aminopenicillanic acid, an intermediate chemical used in the production of semisynthetic penicillins. A thermostable penicillin G acylase from Alcaligenes faecalis (AfPGA) has been crystallized using the hanging-drop vapour-diffusion method in two different space groups: C2221, with unit-cell parameters a = 72.9

}, keywords = {calcium binding, disulfide bridges, Ntn hydrolases, orthorhombic form, tetragonal form, Thermostability}, issn = {1744-3091}, doi = {10.1107/S1744309111053930}, author = {Varshney, Nishant Kumar and Kumar, R. Suresh and Ignatova, Zoya and Prabhune, Asmita and Pundle, Archana and Dodson, Eleanor J. and Suresh, C. G.} } @article { ISI:000309370500013, title = {Cu-II-exchanged montmorillonite K10 clay-catalyzed direct carboxylation of terminal alkynes with carbon dioxide}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {51}, number = {9-10, SI}, year = {2012}, month = {SEP}, pages = {1325-1329}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

A new, simple and straight-forward protocol for direct carboxylation of terminal alkynes has been developed using Cu-II-montmorillonite K10 clay as a heterogeneous catalyst and CO2 as the C1 carbon feedstock. Also coupling of terminal alkynes with CO2 (1 atm) in the presence of alkyl halides has been achieved under the same reaction conditions, thereby providing access to a variety of functionalized alkyl-2-alkynoates in high yields.

}, keywords = {Alkyl esters, Alkyne C-H activation, Carbon dioxide activation, Carboxylation, Catalysts, Montmorillonite clays}, issn = {0376-4710}, author = {Aher, Ravindra D. and Gade, Madhuri H. and Reddy, R. Santhosh and Sudalai, Arumugam} } @article { ISI:000308970100011, title = {CVD synthesis of highly graphitized single-walled carbon nanotubes using nitrogen-pretreated Fe-Mo/MgO catalyst}, journal = {Chemistry Letters}, volume = {41}, number = {9}, year = {2012}, month = {SEP}, pages = {871-873}, publisher = {CHEMICAL SOC JAPAN}, address = {1-5 KANDA-SURUGADAI CHIYODA-KU, TOKYO, 101-8307, JAPAN}, abstract = {

Single-walled carbon nanotubes (SWNTs) with highly graphitized structure were synthesized by thermal chemical vapor deposition using an improved nitrogen-pretreated Fe-Mo/MgO catalyst. The effects of nitrogen pretreatment of Fe-Mo/MgO on the structure and properties of SWNTs were studied by TEM, Raman spectroscopy, and TGA. The investigations revealed that the nitrogen pretreatment of the catalyst promoted the growth of SWNTs. It also enhanced the structural features and thermal properties of SWNTs.

}, issn = {0366-7022}, doi = {10.1246/cl.2012.871}, author = {Patil, Gaurav and Sarode, Chetan and Patil, Rahul and Gokhale, Suresh} } @article { ISI:000305295000014, title = {Design, synthesis and evaluation of unique 2,4,5-triaryl imidazole derivatives as novel potent aspartic protease inhibitors}, journal = {Medicinal Chemistry}, volume = {8}, number = {3}, year = {2012}, month = {MAY}, pages = {428-435}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

The 2,4,5-triaryl imidazole derivatives (API) were designed, screened and characterized kinetically \& thermo-dynamically against Pepsin and their activity was also tested on the in silico platform. The docking studies of API with Pepsin show that these are novel and unique inhibitors of Aspartic protease. Drug like properties of these compounds were validated in silico based on Lipinski{\textquoteright}s rule of Five by calculating ClogP, LogS, H-bond acceptors, H-Bond donors, rotational bonds, PSA, PB and BBB values. The Et/Ki and Et/Km values of API show that they follow the Michaelis-Menten kinetics. The binding of inhibitors with proteases was explained by using Van{\textquoteright}t Hoff plot and thermodynamic parameters viz. free energy (Delta G), Entropy (Delta S) and Enthalpy (Delta H). The Van{\textquoteright}t Hoff analysis showed that the value of K-i decreases with increase in temperature and the binding of the inhibitor are entropically driven. API act as new potent aspartic protease inhibitors with K-i, for Pepsin, ranges from 3.7 mu M to 16.7 mu M. Strong hydrophobic groups at C-4 \& C-5 position in API favor binding of inhibitors with Pepsin. Experiments also showed that among C-2 aryl substituted imidazole, a 4-substitution on aryl ring is preferred and less polar substituent makes the molecule more active whereas polar substituents at 2-position on C-2 aryl ring makes the molecule less active. The docking studies of API with Pepsin further intensify and validate our results.

}, keywords = {2, 4, 5-triaryl imidazole derivatives, docking, Lipinski{\textquoteright}s rule of Five, Protease inhibitors, Thermodynamics}, issn = {1573-4064}, author = {Khan, Mohd Sajid and Akhtar, Salman and Siddiqui, S. A. and Siddiqui, M. S. and Srinivasan, K. V. and Arif, J. M.} } @article {43073, title = {Development and validation of a simple and sensitive RP-HPLC method for simultaneous estimation of drospirenone and ethinylestradiol in combined tablet dosage form}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {4}, year = {2012}, month = {DEC}, pages = {452-457}, author = {Warkad, Shrikant D. and Santhakumari, B. and Chandewar, A. V.} } @article {UGC-New Delhi}, title = {Developmental and digestive flexibilities in the midgut of a polyphagous pest, the cotton bollworm, helicoverpa armigera}, journal = {Journal of Insect Science}, volume = {12}, number = {3-4}, year = {2012}, month = {MAR}, pages = {42}, publisher = {UNIV ARIZONA}, address = {LIBRARY C327, TUCSON, AZ 85721 USA}, abstract = {

Developmental patterns and survival of the cotton bollworm, Helicoverpa armigera Hubner (Lepidoptera: Noctuidae), a polyphagous insect pest, have been studied with reference to the effect of diet on major gut digestive enzymes (amylases, proteases, and lipases). Significant correlations between nutritional quality of the diet and larval and pupal mass were observed when H. armigera larvae were fed on various host plants viz. legumes (chickpea and pigeonpea), vegetables (tomato and okra), flowers (rose and marigold), and cereals (sorghum and maize). Larvae fed on diets rich in proteins and/or carbohydrates (pigeonpea, chickpea, maize, and sorghum) showed higher larval mass and developed more rapidly than larvae fed on diets with low protein and carbohydrate content (rose, marigold, okra, and tomato). Low calorific value diets like rose and marigold resulted in higher mortality (25-35\%) of H. armigera. Even with highly varying development efficiency and larval/pupal survival rates, H. armigera populations feeding on different diets completed their life cycles. Digestive enzymes of H. armigera displayed variable expression levels and were found to be regulated on the basis of macromolecular composition of the diet. Post-ingestive adaptations operating at the gut level, in the form of controlled release of digestive enzymes, might be a key factor contributing to the physiological plasticity in H. armigera.

}, keywords = {amylases, larval performance, Lipases, Proteases}, issn = {1536-2442}, doi = {10.1016/j.tetasy.2012.02.004}, author = {Sarate, P. J. and Tamhane, V. A. and Kotkar, H. M. and Ratnakaran, N. and Susan, N. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000306674200026, title = {Disordered brownmillerite Ba2InCeO5+delta with enhanced oxygen reduction activity}, journal = {Chemistry of Materials}, volume = {24}, number = {14}, year = {2012}, month = {JUL}, pages = {2823-2828}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A disordered brownmillerite, Ba2InCeO5+delta, with slight tetragonal distortion from ideal cubic perovskite is synthesized and its oxygen reduction reactivity tested. The material displayed oxygen reduction behavior in alkaline solution comparable to that of standard 40 wt \% Pt/C catalyst and attractive activity characteristics which renders it a potential system for low temperature fuel cell applications.

}, keywords = {brownmillerite, fuel cell, oxygen reduction reaction, Rietveld refinement}, issn = {0897-4756}, doi = {10.1021/cm301863x}, author = {Jijil, Chamundi P. and Unni, SreeKuttan M. and Sreekumar, Kurungot and Devi, R. Nandini} } @article { ISI:000299742000025, title = {Do anions influence the polarity of protic ionic liquids?}, journal = {Physical Chemistry Chemical Physics}, volume = {14}, number = {8}, year = {2012}, month = {DEC}, pages = {2754-2761}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Polarity studies in two classes of imidazolium-based protic ionic liquids (PILs) possessing [HSO4](-), [HCOO](-),[CH3COO](-) and [CH3CH2COO](-) anions were carried out using a solvatochromic method from 298.15 to 353.15 K. For 1-methylimidazolium class of PILs, ET(30) was found to be independent over the entire range of temperature, while ET(30) was noted to decrease with a rise in temperature in the case of 1-butylimidazolium class of PILs containing [CH3COO](-) and [CH3CH2COO](-) anions. The ET(30) value decreases in both the classes upon varying the anions ([HSO4](-), [HCOO](-), [CH3COO](-) and [CH3CH2COO](-)). The E-T(30) value is controlled by hydrogen bond acceptor basicity, b, and dipolarity/polarizability, pi*. The E-T(30) value for PILs varies inversely to the strength of the coulombic interaction between ions in PILs. Strong interactions between ions lead to lower E-T(30) values. Unlike the poor thermal effect on E-T(30), the Kamlet-Taft parameters i.e. alpha, beta and pi* have pronounced thermal effect in the imidazolium-based PILs. Variation in the Kamlet-Taft parameters is controlled by the stabilization of ions and the degree of proton transfer from Bronsted acid to Bronsted base.

}, issn = {1463-9076}, doi = {10.1039/c2cp23256a}, author = {Shukla, Shashi Kant and Khupse, Nageshwar D. and Kumar, Anil} } @article { ISI:000309139400021, title = {Eco-friendly, highly stable and efficient nanostructured p-type N-doped ZnO photocatalyst for environmentally benign solar hydrogen production}, journal = {Green Chemistry}, volume = {14}, number = {10}, year = {2012}, month = {JUL}, pages = {2790-2798}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We have investigated an economical green route for the synthesis of a p-type N-doped ZnO photocatalyst by a wet chemical method. Significantly, hazardous H2S waste was converted into eco-friendly hydrogen energy using the p-type N-doped ZnO photocatalyst under solar light, which has previously been unattempted. The as-synthesized p-type N-doped ZnO shows a hexagonal wurtzite structure. The optical study shows a drastic shift in the band gap of the doped ZnO in the visible region (3.19-2.3 eV). The doping of nitrogen into the ZnO lattice is conclusively proved from X-ray photoelectron spectroscopy analysis and Raman scattering. The morphological features of the N-doped ZnO are studied from FESEM, TEM and reveal particle sizes to be in the range of similar to 4-5 nm. The N-doped ZnO exhibits enhanced photocatalytic hydrogen generation (similar to 3957 mu mol h(-1)) by photodecomposition of hydrogen sulfide under visible light irradiation, which is much higher as compared to semiconductor metal oxides reported so far. It is noteworthy that a green catalyst is investigated to curtail H2S pollution along with production of hydrogen (green fuel) using solar light, i.e., a renewable energy source. The green process investigated will have the potential to synthesize other N-doped metal oxides.

}, issn = {1463-9262}, doi = {10.1039/c2gc35519a}, author = {Bhirud, Ashwini P. and Sathaye, Shivaram D. and Waichal, Rupali P. and Nikam, Latesh K. and Kale, Bharat B.} } @article { ISI:000312205000007, title = {Effect of alkali pretreatment on the structural properties and enzymatic hydrolysis of corn cob}, journal = {Applied Biochemistry and Biotechnology}, volume = {168}, number = {7}, year = {2012}, month = {DEC}, pages = {1806-1819}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

An effective alkali pretreatment which affects the structural properties of cellulose (corn cob) has been studied. The pretreatment of corn cob was carried out with different combinations of alkali at varying temperatures. The most effective pretreatment of corn cob was achieved with 1 \% alkali at 50 A degrees C in 4 h. The crystallinity index (CrI) and specific surface area (SSA) of untreated corn cob was 39 \% and 0.52 m(2)/g wherein after alkali pretreatment CrI decreased to 15 \% and SSA increased to 3.32 m(2)/g. The fungal organism was identified as Penicillium pinophilum on the basis of ITS sequence. At 5 \% substrate concentration using a complete cellulase from Penicillium pinophilum the hydrolysis of untreated corn cob with 5, 10 and 20 FPU/g enzyme loadings were 11 \%, 13 \% and 16 \%, whereas after alkali treatment the hydrolysis increased to 78 \%, 90 \% and 100 \%, respectively. Further hydrolytic potential of commercial cellulases viz. Accellerase (TM) 1,000, Palkofeel-30 and Palkocel-40 were investigated under similar conditions.

}, keywords = {Corn cob, Crystallinity index, Enzymatic hydrolysis, Penicillium pinophilum, Specific surface area}, issn = {0273-2289}, doi = {10.1007/s12010-012-9898-y}, author = {Sahare, Padmavati and Singh, Rajkumar and Laxman, Ryali Seeta and Rao, Mala} } @article { ISI:000300225900019, title = {Effect of digestive ripening agent on nanoparticle size in the digestive ripening process}, journal = {Chemical Physics Letters}, volume = {525-26}, year = {2012}, month = {FEB}, pages = {101-104}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Digestive ripening is an efficient method that leads to monodispersed nanoparticles from polydispersed ones. A systematic investigation of digestive ripening with different agents viz. dodecanethiol and dodecylamine on different metallic systems is presented. It is shown that both the metallic system involved and the digestive ripening agent have influences on the final size distribution. Further, it is demonstrated that the interaction strength between the different metals and the digestive ripening agents based on Hard Soft Acid Base principles could be invoked to explain the variation in nanoparticle size. (C) 2012 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2011.12.078}, author = {Sahu, Puspanjali and Bhagavatula L. V. Prasad} } @article { ISI:000303018700008, title = {Effect of the A30P mutation on the structural dynamics of micelle-bound alpha synuclein released in water: a molecular dynamics study}, journal = {European Biophysics Journal With Biophysics Letters}, volume = {41}, number = {5}, year = {2012}, month = {MAY}, pages = {483-489}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Atomistic molecular dynamics simulation has been used to probe the effect of the A30P mutation on the structural dynamics of micelle-bound, helical alpha Synuclein when released in an aqueous environment. On the timescales simulated, the effect of the mutation on the secondary structure is restricted to local changes close to the mutation site in the N-terminal helical domain. The changes are transient, and all residues except Lys23 recover their initial structure. The local behavior due to the mutation gives rise to a global difference in the A30P mutant in the form of a permanent kink in the N-terminal helical domain.

}, keywords = {A30P mutation, Alpha synuclein, Kink formation, molecular dynamics simulation, Structural persistence}, issn = {0175-7571}, doi = {10.1007/s00249-012-0803-y}, author = {Chatterjee, Prathit and Sengupta, Neelanjana} } @article { ISI:000302023500063, title = {Efficient, rapid synthesis of bis(indolyl)methane using ethyl ammonium nitrate as an ionic liquid}, journal = {RSC Advances}, volume = {2}, number = {8}, year = {2012}, month = {MAR}, pages = {3525-3529}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple and rapid protocol has been developed for an efficient synthesis of bis( indolyl)methane in excellent yields using ethyl ammonium nitrate (EAN) as reusable ionic liquid at room temperature. The protocol involves an electrophilic substitution reaction of indoles with several aldehydes.

}, issn = {2046-2069}, doi = {10.1039/c2ra00849a}, author = {Mulla, Shafeek Abdul Rashid and Sudalai, A. and Pathan, Mohsinkhan Y. and Siddique, Shafi A. and Inamdar, Suleman M. and Chavan, Santosh S. and Reddy, R. Santosh} } @article { ISI:000310402400032, title = {Elaboration of the ether cleaving ability and selectivity of the classical pearlman{\textquoteright}s catalyst [Pd(OH)(2)/C]: concise synthesis of a precursor for a myo-inositol pyrophosphate}, journal = {Tetrahedron}, volume = {68}, number = {47}, year = {2012}, month = {NOV}, pages = {9769-9776}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The cleavage of propargyl, allyl, benzyl, and PMB ethers by Pd(OH)(2)/C can be tuned in that order, by varying the reaction conditions. Other moieties such as C-C double bonds, esters, trityl ether, p-bromo and p-nitrobenzyl ethers are stable to these reaction conditions. Cleavage of allyl ethers can be made catalytic by using 1:1 mixture of Pd(OH)(2)/C and Pd/C. The synthetic potential of the selective ether cleaving ability of Pd(OH)(2)/C, essentially under neutral conditions, has been demonstrated by an efficient synthesis of a precursor for the preparation of an inositol pyrophosphate derivative. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Cyclitol, Ether cleavage, Inositol, Palladium, Protecting group}, issn = {0040-4020}, doi = {10.1016/j.tet.2012.09.016}, author = {Mart, Alson and Shashidhar, Mysore S.} } @article { ISI:000308879000041, title = {Electrochemical preparation of luminescent graphene quantum dots from multiwalled carbon nanotubes}, journal = {Chemistry-A European Journal}, volume = {18}, number = {39}, year = {2012}, month = {SEP}, pages = {12522-12528}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Green luminescent, graphene quantum dots (GQDs) with a uniform size of 3, 5, and 8.2(+/- 0.3) nm in diameter were prepared electrochemically from MWCNTs in propylene carbonate by using LiClO4 at 90?degrees C, whereas similar particles of 23(+/- 2) nm were obtained at 30?degrees C under identical conditions. Both these sets of GQDs displayed a remarkable quantum efficiency of 6.3 and 5.1?\%, respectively. This method offers a novel strategy to synthesise size-tunable GQDs as evidenced by multiple characterisation techniques like transmission and scanning electron microscopy, atomic force microscopy, Raman spectroscopy and X-ray diffraction (XRD). Photoluminescence of these GQDs can be tailored by size variation through a systematic change in key process parameters, like diameter of carbon nanotube, electric field, concentration of supporting electrolyte and temperature. GQDs are promising candidates for a variety of applications, such as biomarkers, nanoelectronic devices and chemosensors due to their unique features, like high photostability, biocompatibility, nontoxicity and tunable solubility in water.

}, keywords = {electrochemical synthesis, graphene, Nanostructures, photoluminescence, quantum dots}, issn = {0947-6539}, doi = {10.1002/chem.201201043}, author = {Shinde, Dhanraj B. and Pillai, Vijayamohanan K.} } @article { ISI:000304106900015, title = {Electrostatic grafting of a triphenylphosphine sulfonate on SBA-15: application in palladium catalyzed hydrogenation}, journal = {Catalysis Science \& Technology}, volume = {2}, number = {6}, year = {2012}, month = {FEB}, pages = {1188-1195}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel strategy for the immobilization of a sulfonate functionalized triphenylphosphine ligand by ion-ion interactions on an imidazolium modified SBA-15 is presented. A support containing electrostatically grafted triphenylphosphine as the ligand was reacted with PdCl2( CNPh)(2) and the resulting hybrid material catalyzed olefin hydrogenation under mild conditions. The catalyst exhibits excellent activity, selectivity and stability and it can be reused for at least ten times without any loss of activity. An analogous but covalently grafted palladium system does not show any hydrogenation activity under the same conditions. TEM images of the used catalyst clearly prove the absence of palladium nanoparticles. Additionally, XPS investigations prove that palladium( 0) is formed and the phosphine is oxidized. By AAS no palladium contamination down to 0.5 X 10(-4) mmol could be detected in the products and further leaching tests verified the reaction to be truly heterogeneous. This concept of non-covalent immobilization guarantees a tight bonding of the catalytically active species to the surface in combination with a high mobility, which should be favorable for other catalyses, too.

}, issn = {2044-4753}, doi = {10.1039/c2cy00535b}, author = {Wang, Lei and Dehe, Daniel and Philippi, Thomas and Seifert, Andreas and Ernst, Stefan and Zhou, Zhou and Hartmann, Martin and Taylor, Robin N. Klupp and Singh, Anand Pal and Jia, Mingjun and Thiel, Werner R.} } @article { ISI:000307433600013, title = {Enantioselective synthesis of HIV protease inhibitor amprenavir via Co-catalyzed HKR of 2-(1-azido-2-phenylethyl)oxirane}, journal = {Tetrahedron-Asymmetry}, volume = {23}, number = {11-12}, year = {2012}, month = {JUN}, pages = {898-903}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and efficient enantioselective synthesis of the HIV protease inhibitor amprenavir 1 (99\% ee) as well as a formal synthesis of saquinavir 3 have been achieved in high enantiomeric purity starting from commercially available materials. Our strategy mainly comprises a Co-catalyzed two-stereocentred hydrolytic kinetic resolution (HKR) of racemic 2-(1-azido-2-phenylethyl)oxirane as the chirality inducing step. Also presented is a concise synthesis of (S)-3-hydroxytetrahydrofuran 4, the key structural feature, in high enantiomeric purity (98\% ee). (c) 2012 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.06.003}, author = {Gadakh, Sunita K. and Reddy, R. Santhosh and Sudalai, Arumugam} } @article { ISI:000335134300022, title = {Engineered glucose to generate a spectroscopic probe for studying carbohydrate biology}, journal = {Advances in Experimental Medicine and Biology}, volume = {749}, year = {2012}, note = {International Symposium on the Biochemical Role of Eukaryotic Cell Surface Macromolecules, Trivandrum, INDIA, JAN, 2011}, month = {APR}, pages = {313-327}, publisher = {SPRINGER-VERLAG BERLIN}, address = {HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY}, isbn = {978-1-4614-3380-4; 978-1-4614-3381-1}, issn = {0065-2598}, doi = {10.1007/978-1-4614-3381-1_21}, author = {Tripathi, Ashish and Singh, Vibha and Aishwarya, K. G. and Aradhyam, Gopala Krishna and Hotha, Srinivas}, editor = {Sudhakaran, PR and Surolia, A} } @article { ISI:000309644400011, title = {Enhanced photocatalytic activity of multi-doped TiO2 for the degradation of methyl orange}, journal = {Applied Catalysis A-General}, volume = {443}, year = {2012}, month = {NOV}, pages = {96-102}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We report the synergistic effect of dopants like Gd, N and Sin enhancing the photocatalytic activity of TiO2. Nanosized TiO2 doped at both cationic and anionic sites by Gd, N and S exhibited increased photocatalytic activity compared to TiO2 doped with either Gd or N and S. All the doped TiO2 existed as anatase phase and no separate phase due to Gd2O3 was seen up to a Gd concentration of 2\%. The particle size as seen from the transmission electron micrograph was similar to 25 nm. The optical absorption property of TiO2 was improved by doping and redshift of the absorption edge is seen for all doped samples compared to pristine TiO2. The red shift of the absorption edge was the highest for the multiple ion-doped sample. Presence of bonded N and S in TiO2 was detected by X-ray photoelectron spectroscopy. Fluorescence lifetime studies indicated an enhanced lifetime for the charge carriers in the doped system compared to pristine TiO2. Photocatalytic activity study showed that the multi-doped sample has the highest activity for the degradation of methyl orange compared to Gd-TiO2, NS-TiO2 and pristine TiO2. The enhanced photocatalytic activity of the multi-doped TiO2 is attributed to factors such as improved optical absorption property and improved lifetime of the charge carriers. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Fluorescence lifetime, Gd N S doped TiO2, Methyl orange, Photocatalyst, Photodegradation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2012.07.032}, author = {Charanpahari, A. and Umare, S. S. and Gokhale, S. P. and Sudarsan, V. and Sreedhar, B. and Sasikala, R.} } @article { ISI:000300185800011, title = {Enhancing the hydrogen storage capacity of Pd-functionalized multi-walled carbon nanotubes}, journal = {Applied Surface Science}, volume = {258}, number = {8}, year = {2012}, month = {FEB}, pages = {3405-3409}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We demonstrate that the hydrogen storage capacity of multi-walled carbon nanotubes can be enhanced by polyvinylpyrrolidone functionalization. The polyvinylpyrrolidone acts as a stabilizing agent for Pd-nanoparticles, reduces their size and facilitates their uniform and enhanced loading onto multi-walled carbon nanotubes. According to sorption studies, the polyvinylpyrrolidone capping and consequent nanostructural modification enables 2.3 times more hydrogen adsorption than mere Pd-functionalization of multi-walled carbon nanotubes. Corresponding morphological changes before and after polyvinylpyrrolidone capping, characterized using Raman Spectroscopy, X-ray diffraction, TEM and thermal analysis techniques, are also presented. The results contribute towards increasing the efficiency of hydrogen based sustainable energy sources. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Hydrogen based energy sources, Hydrogen storage capacity, Multiwalled carbon nanotubes, Pd functionalization, PVP capping}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2011.11.075}, author = {Singh, Priyanka and Kulkarni, Mukta V. and Gokhale, Suresh P. and Chikkali, Samir H. and Kulkarni, Chandrashekhar V.} } @article { ISI:000301936700004, title = {Environmentally benign synthesis of beta-hydroxy sulfides using cyclic carbonates catalyzed by large-pore zeolites}, journal = {Green Chemistry Letters and Reviews}, volume = {5}, number = {1}, year = {2012}, month = {AUG}, pages = {19-26}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

An efficient one-pot synthesis of beta-hydroxy sulfides from thiophenol and cyclic carbonates catalyzed by large-pore zeolites has been reported. Reaction of thiophenol with ethylene carbonate in the presence of the Na-X zeolite catalyst gave the highest yield of 2-(phenylthio)ethanol (100\%), while reaction with propylene carbonate a highest yield of regioselective product 1-(phenylthio)propan-2-ol was obtained (97\%). Enantiomerically pure 1,2-propylene carbonate gave highly regioselective and stereospecific phenylthiopropanol, demonstrating that original chirality of propylene carbonate is retained. A plausible mechanism has been proposed for zeolite-catalyzed transformation involving a chemoselective nucleophilic attack of thiophenoloxide ion onto the less-substituted carbon of cyclic carbonate. The Na-X zeolite catalyst is recyclable and provides advantages of green chemistry approach to the synthesis of beta-hydroxy sulfides without the use of any solvent.

}, keywords = {beta-hydroxy sulfide, ethylene carbonate, propylene carbonate, thiophenol, zeolite}, issn = {1751-8253}, doi = {10.1080/17518253.2011.574295}, author = {Upare, Pravin P. and Kinage, Anil K. and Shingote, Savita K. and Gupte, Sunil P.} } @article { ISI:000297609900010, title = {Enzyme immobilization on epoxy supports in reverse micellar media: prevention of enzyme denaturation}, journal = {Journal of Molecular Catalysis B-Enzymatic}, volume = {74}, number = {1-2}, year = {2012}, month = {JAN}, pages = {54-62}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Immobilization of enzymes such as alpha-chymotrypsin (EC 3.4.21.1), yeast alcohol dehydrogenase (YADH) from Saccharomyces cerevisiae (EC 1.1.1.1) and glucose dehydrogenase (GDH) from Gluconobacter cerinus (EC 1.1.1.119) has been carried out. Copolymers of allyl glycidyl ether (AGE) crosslinked with 25\% ethylene glycol dimethacrylate (EGDM) (25 mg, dry wt) were contacted with the enzymes solubilized in reverse micellar media (0.5-5 mg/mL)(overall) of sodium bis(2-ethylhexyl) sulfosuccinate (AOT) salt in isooctane, and cetyl trimethylammonium bromide (CTAB) in chloroform-isooctane (50:50, v/v). Although the enzymes are readily denatured (\>90\%) after adsorption on the copolymer in aqueous buffers, no such adsorption-induced denaturation takes place in reverse micelles. alpha-Chymotrypsin is remarkably stable in AOT reverse micelles when 0.025 M citrate buffer of pH 9.0 containing 2 mM CaCl2 is used in the water pools instead of Tris-HCl buffer of pH 8.5. It was possible to achieve enzyme concentration of 5 mg/mL in 0.3 M AOT at molar ratio of water to surfactant, (W-0), 30 and to obtain alpha-chymotrypsin loading of 20 mg/g of copolymer. The recovered enzyme solution can be reused with a fresh batch of polymer after supplementing the depleted solution. The immobilized enzyme exhibits excellent stability in aqueous buffers at room temperature and can be recycled several times. YADH is stable in both AOT and CTAB reverse micelles while GDH is stable only in CTAB reverse micelles containing 0.05 M Tris-HCI buffer of pH 8.5. Interestingly, the combination of YADH (2.5 mg/g) and GDH (0.5 mg/g) co-immobilized on the copolymer using CTAB-chloroform-isooctane system can be used for regeneration and recycle of NADPH at least 50 times as exemplified by complete reduction of a prochiral ketoester, ethyl 4-phenyl-2,4-dioxobutyrate (10 mM) to ethyl (R)-2-hydroxy-4-phenylbutyrate (HPB ester) using NADPH (0.2 mM). (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {allyl glycidyl ether, alpha-Chymotrypsin, ethylene glycol dimethacrylate, Glucose dehydrogenase, Reverse micelles, Yeast alcohol dehydrogenase}, issn = {1381-1177}, doi = {10.1016/j.molcatb.2011.08.014}, author = {Thudi, Lahari and Jasti, Lakshmi Swarnalatha and Swarnalatha, Yalangi and Fadnavis, Nitin W. and Mulani, Khudbudin Baban and Deokar, Sarika Babasaheb and Ponrathnam, Surendra} } @article {42782, title = {Ethyl oligo-silicates with strong acid heterogeneous polymeric catalysts}, number = {PCT/IB2011/002531}, year = {2012}, month = {MAY}, type = {Application}, abstract = {

The present invention provides a process for the synthesis of ethyl silicate with varying silica concentration, by hydrolysing ethyl silicate in varying water concentration in the presence of sulfonated catalysts having a styrene-divinyl benzene backbone. The present invention further relates to the preparation of beaded crosslinked polymers containing sulfonic acid moieties having an interconnected pore structure and surface area up to 400 m2 /g.

}, author = {Bevara, Madhusudana Rao and Bhongale, Sunil Sitaram and Bhosle, Sonali Madhavrao and Chavan, Nayaku and Chelanattukizhakkemadath, Raman Rajan and Deokar, Sarika Babasaheb and Dhoble, Deepa Arun and Dwivedi, Mayank and Ghorpade, Ravindra V. and Harikrishna, Reghunathan and Dhanasekharan, Janakiraman and John, Aruldoss and Locanindi, Hari Sarvothama Rao and Momin, Mohasin Shamshuddin and Mulani, Khudbudin Baban and Mule, Smita Atmaram and Nalawade, Archana Chetan and Punitharasu, Vellimalai and Qureshi, Mohammed Shadbar and Kumar, Tayal Rajiv and Shaikh, Wasif Abdul Lateef and Sontakke, Kalpana Vishwanathrao and Reddy, Krishna Mohan Srinivasulu and Sriperambudur, Rajesh Kumar and Ponrathnam, Surendra} } @article { ISI:000308112300043, title = {Evaluation of the insect growth regulator lufenuron (MatchA (R)) for control of aedes aegypti by simulated field trials}, journal = {Parasitology Research}, volume = {111}, number = {3}, year = {2012}, month = {SEP}, pages = {1325-1329}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The insect growth regulator, Lufenuron, at concentrations of even multiples of LC90 (determined under laboratory conditions) was tested against the III instar larvae of Aedes aegypti under simulated field conditions. For all concentrations tested, 100 \% mortality of the larvae was observed within 24 h of exposure to Lufenuron-treated water. In experiments with LC90 x 4 Lufenuron concentration and where 15 \% of water volume was replaced daily, percent mortality of the larvae was reduced to 40 \% after the 54th day of treatment. Percentage mortality of the III instar larvae on the 54th day was higher in water with LC90 x 6 concentration than that observed for water with LC90 x 4 of Lufenuron. In the experiments with LC90 x 4 and LC90 x 6 concentrations of Lufenuron where 15 \% of water volume was replaced weekly, larval mortality obtained after the eighth week was 68.75 and 88.33 \%, respectively. In LC90 x 4 and LC90 x 6 of Lufenuron-treated stagnant water (without replacement of water), the percent mortality of the larvae on the 55th day was 65 and 90 \%, respectively. Introducing a fresh batch of III instar A. aegypti larvae in the Lufenuron-treated waters revealed that residual activity of Lufenuron was sustained for 45 days after the treatment. All these experiments revealed that Lufenuron not only affects the prevalence of the A. aegypti larvae but also induces the development of abnormal adults.

}, issn = {0932-0113}, doi = {10.1007/s00436-012-2968-9}, author = {Salokhe, S. G. and Deshpande, S. G. and Mukherjee, Samindra N.} } @article { ISI:000304570000010, title = {Expanding the structural repertoire of beta/alpha Ant-Pro (anthranilic acid-proline) oligomers into gamma/alpha 2-Amb-Pro (2-aminomethyl benzoic acid-proline) oligomers}, journal = {Tetrahedron}, volume = {68}, number = {23}, year = {2012}, month = {JUN}, pages = {4399-4405}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In this article, we report a novel class of heterogeneous synthetic oligomers featuring the conformationally constrained amino acid residues - 2-aminomethyl benzoic acid (2-Amb) and proline (Pro) in repeating sequences. Oligomers as large as hexadecamers featuring the conformationally restricted gamma/alpha 2-Amb-Pro motif have been assembled using solution-phase Boc strategy, following multi-step synthetic sequences starting from the commercially available O-toluic acid. EDC-mediated peptide coupling has been found to be optimum for the assembly of the relatively non-polar oligomers, which could be readily purified by the standard column chromatographic purification procedures. This study offers considerable prospects of expanding the structural repertoire of beta/alpha Ant-Pro motif, which has been described earlier to assume right-handed helical architecture displaying robust nine-membered-ring closed network of hydrogen-bonding interactions, into gamma/alpha 2-Amb-Pro motif. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Amino acids, Foldamer, Peptides, Proline, Synthetic oligomers}, issn = {0040-4020}, doi = {10.1016/j.tet.2012.02.006}, author = {Ramesh, Veera V. E. and Priya, Gowri and Rajamohanan, P. R. and Hofmann, Hans-Joerg and Sanjayan, Gangadhar J.} } @article { ISI:000306045000005, title = {Extracellular biosynthesis of platinum nanoparticles using the fungus fusarium oxysporum}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {97}, year = {2012}, month = {SEP}, pages = {27-31}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nanoscience is a blooming field and promises a better future. In order to fabricate nanoparticles in an eco-friendly and inexpensive manner, significant efforts are being made to replace the chemical and physical methods currently being used with the biological methods. Chemical methods are toxic while the physical ones are very expensive. Biological methods, apart from being cost-effective, also provide protein capped nanoparticles which are thus very stable, have good dispersity and do not flocculate, and may find use in various applications. The present work emphasizes on platinum nanoparticles synthesis protocol which occurs at ambient conditions. The fungus Fusarium oxysporum when incubated with hexachloroplatinic acid (H2PtCl6) in ambient conditions reduces the precursor and leads to the formation of stable extracellular platinum nanoparticles. The biosynthesis of platinum nanoparticles was monitored by UV-visible spectroscopy and these nanoparticles were completely characterized by transmission electron microscopy (TEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). The nanoparticles are in the size range of 5-30 nm and are stabilized by proteins present in the solution. The reduction process is believed to occur enzymatically, thus creating the possibility of a rational, fungal-based method for the synthesis of nanoparticles over a wide range of chemical compositions. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Biosynthesis, Fungus, Nanoparticles, platinum}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2012.03.026}, author = {Syed, Asad and Ahmad, Absar} } @article { ISI:000306215900022, title = {Fine-tuning the balance between crystallization and gelation and enhancement of CO2 uptake on functionalized calcium based MOFs and metallogels}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {30}, year = {2012}, month = {MAY}, pages = {14951-14963}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The synthesis, structure, gas adsorption and catalytic properties of a new 3D porous, crystalline metal-organic framework (Ca-5TIA-MOF) as well as stable viscoelastic metallogels (Ca-5TIA-Gel) are reported. Remarkably, the preparation of both types of materials can be carried out starting from the same organic ligand (i.e. 5-(1,2,4-triazoleyl) isophthalic acid (5TIA)), divalent metal ion (i.e. Ca(II)) and organic solvent (i.e. DMF). In this particular case, the presence of water in the solvent system favors the formation of a crystalline MOF, whereas a pure organic solvent induces gelation. The characterization of the materials was carried out using a series of techniques including XRD, FT-IR, TGA, TEM, SEM, SAXS and dynamic rheology. Experimental PXRD peaks of both Ca-5TIA-xerogel and Ca-5TIA-MOF matched reasonably well with simulated PXRD, suggesting the presence of, at least, some common structural elements in the 3D networks of both xerogel and crystalline phases. Moreover, the nature of the metal counteranion was found to have a critical influence on the gelation phenomenon. To the best of our knowledge, this report describes unprecedented Ca-based LMW-metallogels, as well as the first porous Ca-based MOF, which shows adsorption capacity for CO2 at 1 atm pressure. Interestingly, Ca-5TIA-xerogel presented 20\% higher CO2-uptake than the crystalline Ca-5TIA-MOF at 1 atm and 298 K. Both Ca-5TIA-MOF and Ca-5TIA-Gel also displayed a modest catalytic activity towards the hydrosilylation of benzaldehyde, with slightly better performance for the gel phase material.

}, issn = {0959-9428}, doi = {10.1039/c2jm30866e}, author = {Mallick, Arijit and Schoen, Eva-Maria and Panda, Tamas and Sreenivas, K. and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000312145400009, title = {First total synthesis of seimatopolide B}, journal = {RSC Advances}, volume = {2}, number = {30}, year = {2012}, month = {OCT}, pages = {11231-11234}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The first enantioselective total synthesis of seimatopolide B has been achieved, using ring-closing metathesis and DCC (N,N{\textquoteright}-dicyclohexylcarbodiimide) coupling as key steps. The stereogenic centres were generated by means of iterative hydrolytic kinetic resolution (HKR) of racemic epoxides.

}, issn = {2046-2069}, doi = {10.1039/c2ra21838k}, author = {Nookaraju, U. and Harbindu, Anand and Bhise, Ankushkumar D. and Sharma, Brijesh M. and Kumar, Pradeep} } @article {43235, title = {First-principle protocol for calculating ionization energies and redox potentials of solvatedmolecules and ions: theory and application to aqueous phenol and phenolate}, journal = {Journal of Physical Chemistry B}, volume = {116}, year = {2012}, month = {JUN}, pages = {7269-7280}, abstract = {The effect of hydration on the lowest vertical ionization energy (VIE) of phenol and phenolate solvated in bulk water was characterized using the equation-of-motion ionization potential coupled-cluster (EOM-IP-CCSD) and effective fragment potential (EFP) methods (referred to as EOM/EFP) and determined experimentally by valence photoemission measurements using microjets and synchrotron radiation. The computed solvent-induced shifts in VIEs (Delta VIEs) are 0.66 and +5.72 eV for phenol and phenolate, respectively. Our best estimates of the absolute values of VIEs (7.9 and 7.7 eV for phenol and phenolate) agree reasonably well with the respective experimental values (7.8 +/- 0.1 and 7.1 +/- 0.1 eV). The EOM/EFP scheme was benchmarked against full EOM-IP-CCSD using microsolvated phenol and phenolate clusters. A protocol for calculating redox potentials with EOM/EFP was developed based on linear response approximation (LRA) of free energy determination. The oxidation potentials of phenol and phenolate calculated using LRA and EOM/EFP are 1.32 and 0.89 V, respectively; they agree well with experimental values.}, doi = {10.1021/jp301925k}, author = {Ghosh, Debashree and Roy, Anirban and Seidel, Robert and Winter, Bernd and Bradforth, Stephen and Krylov, Anna I.} } @article { ISI:000312111500001, title = {Fluorescent superparamagnetic iron oxide core-shell nanoprobes for multimodal cellular imaging}, journal = {Materials Express}, volume = {2}, number = {4}, year = {2012}, month = {DEC}, pages = {265-274}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Multimodal imaging agents that combine magnetic and fluorescent imaging capabilities are desirable for the high spatial and temporal resolution. In the present work, we report the synthesis of multifunctional fluorescent ferrofluids using iron oxide as the magnetic core and rhodamine B as fluorochrome shell. The core-shell structure was designed in such a way that fluorescence quenching due to the inner magnetic core was minimized by an intermediate layer of silica. The intermediate passive layer of silica was realized by a novel method which involves the esterification reaction between the epoxy group of prehydrolysed 3-Glyidoxypropyltrimethoxysilane and the surfactant over iron oxide. The as-synthesized ferrofluids have a high saturation magnetization in the range of 62-65 emu/g and were found to emit light of wavelength 640 nm (lambda(excitation) = 446 nm). Time resolved life time decay analysis showed a bi-exponential decay pattern with an increase in the decay life time in the presence of intermediate silica layer. Cytotoxicity studies confirmed the cell viability of these materials. The in vitro MRI imaging illustrated a high contrast when these multimodal nano probes were employed and the R2 relaxivity of these sample was found to be 334 mM(-1)s(-1) which reveals its high potential as a T2 contrast enhancing agent.

}, keywords = {GPTMS, MRI Imaging, Multimodal Imaging, SPION, T2 Contrast Agent}, issn = {2158-5849}, doi = {10.1166/mex.2012.1083}, author = {Smitha, Sasidharan and Haseena, Vadakkenchery S. and Narayanan, Tharangattu N. and Mary, Antony P. Reena and Ajayan, Pulickel M. and Puthumana, Jayesh and Aziz, Anas A. and Aburto, Rebeca R. and Mani, Sendurai A. and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article {42679, title = {Foam based synthesis of metal carbonates: establishing the role of spatial confinement for obtaining interesting morphologies}, journal = {Journal of Computational and Theoretical Nanoscience}, volume = {11}, year = {2012}, month = {MAY}, pages = {91-97}, abstract = {

The crystallization of different carbonates namely lead carbonate, cadmium carbonate and strontium carbonate in aqueous foam stabilized by the surfactant sodium dodecyl sulphate (SDS) by a method of cation entrapment is described. Reaction of ammonium carbonate with the respective cations electrostatically entrapped in the foam results in the formation of minerals, possibly in the Plateau border and Plateau junction regions of the foam. The unusual morphology of the crystals obtained from foam based synthetic method as compared to the crystals prepared in aqueous solution shows the utility of the template for the growth of crystals with an unusual morphology due to constrained environment. The materials are well characterized using TEM, SEM, EDAX and FTIR techniques. The large interfacial area of the liquid lamellae in the foam provides a striking possibility for the large-scale synthesis for not only minerals but also other nanoscale materials.

}, doi = {10.1166/asl.2012.2175}, author = {Bala, Tanushree and Sanyal, Ambarish and Pant, Jayashree and Bhagavatula L. V. Prasad} } @article { ISI:000303001000003, title = {Foldamers: they{\textquoteright}re not just for biomedical applications anymore}, journal = {Angewandte Chemie-International Edition}, volume = {51}, number = {17}, year = {2012}, month = {APR}, pages = {4006-4008}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, keywords = {Foldamers, foldaxanes, molecular shuttles, nanotechnology}, issn = {1433-7851}, doi = {10.1002/anie.201107521}, author = {Prabhakaran, Panchami and Priya, Gowri and Sanjayan, Gangadhar J.} } @article { ISI:000306799700029, title = {Functional characterization and differential expression studies of squalene synthase from Withania somnifera}, journal = {Molecular Biology Reports}, volume = {39}, number = {9}, year = {2012}, month = {SEP}, pages = {8803-8812}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Squalene synthase (SQS: EC 2.5.1.21) is a potential branch point regulatory enzyme and represents the first committed step to diverge the carbon flux from the main isoprenoid pathway towards sterol biosynthesis. In the present study, cloning and characterization of Withania somnifera squalene synthase (WsSQS) cDNA was investigated subsequently followed by its heterologous expression and preliminary enzyme activity. Two different types of WsSQS cDNA clones (WsSQS1and WsSQS2) were identified that contained an open reading frames of 1,236 and 1,242 bp encoding polypeptides of 412 and 414 amino acids respectively. Both WsSQS isoforms share 99 \% similarity and identity with each other. WsSQS deduced amino acids sequences, when compared with SQS of other plant species, showed maximum similarity and identity with Capsicum annuum followed by Solanum tuberosum and Nicotiana tabacum. To obtain soluble recombinant enzymes, 24 hydrophobic amino acids were deleted from the carboxy terminus and expressed as 6X His-Tag fusion protein in Escherichia coli. Approximately 43 kDa recombinant protein was purified using Ni-NTA affinity chromatography and checked on SDS-PAGE. Preliminary activity of the purified enzymes was determined and the products were analyzed by gas chromatograph-mass spectrometer (GC-MS). Quantitative real-time PCR (qRT-PCR) analysis showed that WsSQS expresses more in young leaves than mature leaves, stem and root.

}, keywords = {Gas chromatograph-Mass Spectrometer (GC-MS), qRT-PCR, Squalene synthase, Withania somnifera}, issn = {0301-4851}, doi = {10.1007/s11033-012-1743-4}, author = {Gupta, Neha and Sharma, Poonam and Kumar, R. J. Santosh and Vishwakarma, Rishi K. and Khan, Bashir Mohammad} } @article { ISI:000305419900012, title = {Gamma-Al2-xMxO3 +/- y (M = Ti4+ through Ga3+): potential pseudo-3D mesoporous materials with tunable acidity and electronic structure}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {27}, year = {2012}, month = {APR}, pages = {13484-13493}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple and highly efficient surfactant-free sol-gel process has been developed to obtain nanocrystalline mesoporous gamma-Al2O3 and metal ion incorporated mesoporous gamma-Al2O3 with general formula gamma-Al2-xMxO3 +/- y (where M = Ti4+ through Ga3+). Any one of the first row transition metal (TM) ions along with Ga3+ could be introduced into the gamma-Al2O3 framework in a direct one-pot synthesis process. The generality of the present synthesis recipe for metal ion incorporation in gamma-Al2O3 was demonstrated by preparation of an Al-Ga-M ternary oxide system with the metal ion composition of general formula Al9GaTM (TM = Ti4+ to Zn2+) and their characterization through various physicochemical and spectroscopic techniques. The mesoporous gamma-Al2-xMxO3 +/- y materials showed a BET surface area in the range of 200-400 m(2) g(-1) with a narrow pore size distribution. Wormhole mesoporosity makes the material pseudo-3D (p3D) with a small pore depth of few nm (\<10 nm). Metal ions in gamma-Al2O3 lead to changes in the acidity and electronic environment. XRD, TEM, and Al-27 MAS NMR studies demonstrate that the sol-gel process and the disordered mesoporous structure allow Ga and TM ions to be highly distributed and integrated in the gamma-Al2O3 framework. The efficacy of these materials in catalysis has been successfully evaluated for steam reforming of dimethylether: Ni, Cu and Zn containing Al9GaTM oxides showed high activity and stability. The smaller mesochannel depth (\<10 nm) and pseudo-3D characteristics that arise due to the wormhole-type disordered mesoporous framework of these alumina materials facilitate mass transport through them without any leaching of metal ions out of the lattice and pore blocking during the reaction, which makes them attractive in catalysis. This preparation method is versatile enough to be used for a reproducible synthesis of metal ion incorporated mesoporous gamma-Al2O3 by varying the metal content and their combinations, and it is expected that many other metal ions could be introduced into the lattice framework for a variety of applications by tuning acidity and electronic structure.

}, issn = {0959-9428}, doi = {10.1039/c2jm31184d}, author = {Mathew, Thomas and Sivaranjani, Kumarsrinivasan and Gnanakumar, Edwin S. and Yamada, Yusuke and Kobayashi, Tetsuhiko and Gopinath, Chinnakonda S.} } @article { ISI:000311755000014, title = {Gellan Gum a novel polysaccharide matrix for immobilization of thermo-tolerant yeast cells with invertase activity: factorial design and rheological studies}, journal = {Research Journal of Biotechnology}, volume = {7}, number = {4}, year = {2012}, month = {NOV}, pages = {81-87}, publisher = {RESEARCH JOURNAL BIOTECHNOLOGY}, address = {SECTOR A-80, SCHEME NO 54, VIJAY NAGAR, A B ROAD, INDORE, 452 010 MP, INDIA}, abstract = {

The microbial extracellular polysaccharide gellan gum has been explored for its application in whole cell immobilization. Preliminary evaluation of the physicochemical properties of gellan gum in the presence of monovalent cation tetramethyl ammonium chloride (TMACl) was carried out. Gellan gum immobilized cells demonstrated better rheological properties than gellan gum. Attempts have been made to reveal the evaluation of gellan gum as a matrix to immobilize a thermotolerant yeast Kluyveromyces marxianus NCYC 2675. A 3(2) factorial design was used to study the simultaneous effect of two variables. The effect of the polymer concentration and TMACl concentration on various dependent variables like gelling temperature, mean particle size and enzyme activity of the yeast cells was studied. A statistical model with a significant interaction term was obtained to predict the results. Further, optimized immobilized system was evaluated with significant storage stability at 10 C and enhanced reusability with maximum conversion of \> 90 \% when crosslinked with glutaraldehyde.

}, keywords = {Gellan gum, Glutaraldehyde, Immobilization, invertase, Rheology, yeast cells}, issn = {0973-6263}, author = {Sulabha, Karandikar and Asmita, Prabhune} } @article { ISI:000298854300037, title = {Gellan gum capped silver nanoparticle dispersions and hydrogels: cytotoxicity and in vitro diffusion studies}, journal = {Nanoscale}, volume = {4}, number = {2}, year = {2012}, month = {OCT}, pages = {563-567}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The preparation of highly stable water dispersions of silver nanoparticles using the naturally available gellan gum as a reducing and capping agent is reported. Further, exploiting the gel formation characteristic of gellan gum silver nanoparticle incorporated gels have also been prepared. The optical properties, morphology, zeta potential and long-term stability of the synthesized silver nanoparticles were investigated. The superior stability of the gellan gum-silver nanoparticle dispersions against pH variation and electrolyte addition is revealed. Finally, we studied the cytotoxicity of AgNP dispersions in mouse embryonic fibroblast cells (NIH3T3) and also evaluated the in vitro diffusion of AgNP dispersions/gels across rat skin.

}, issn = {2040-3364}, doi = {10.1039/c1nr10957j}, author = {Dhar, Sheetal and Murawala, Priyanka and Shiras, A. and Pokharkar, V. and Bhagavatula L. V. Prasad} } @article { ISI:000310589300036, title = {Genome sequence of nitratireductor aquibiodomus strain RA22}, journal = {Journal of Bacteriology}, volume = {194}, number = {22}, year = {2012}, month = {NOV}, pages = {6307}, publisher = {AMER SOC MICROBIOLOGY}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {

The genus Nitratireductor represents nitrate-reducing bacteria from the family Phyllobacteriaceae. Here we report the draft genome sequence of Nitratireductor aquibiodomus strain RA22, which contains 4,592,790 bp, with a G+C content of 61.30\%, and has 4,241 protein coding genes.

}, issn = {0021-9193}, doi = {10.1128/JB.01510-12}, author = {Singh, Ajit and Jangir, Pramod Kumar and Kumari, Chanchal and Sharma, Rakesh} } @article { ISI:000309490600021, title = {Genome sequence of the alkaliphilic bacterium nitritalea halalkaliphila type strain LW7, isolated from Lonar Lake, India}, journal = {Journal of Bacteriology}, volume = {194}, number = {20}, year = {2012}, month = {OCT}, pages = {5688-5689}, publisher = {AMER SOC MICROBIOLOGY}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {

An alkaliphilic bacterium, Nitritalea halalkaliphila LW7, which belongs to the family Cyclobacteriacae in the phylum Bacteroidetes, was isolated from Lonar Lake in Maharastra, India. Here we announce the draft genome sequence of the type strain LW7, which contains 3,633,701 bp with a G+C content of 48.58\%.

}, issn = {0021-9193}, doi = {10.1128/JB.01302-12}, author = {Jangir, Pramod Kumar and Singh, Ajit and Shivaji, S. and Sharma, Rakesh} } @article { ISI:000302664900061, title = {Glycolic acid-g-chitosan-gold nanoflower nanocomposite scaffolds for drug delivery and tissue engineering}, journal = {International Journal of Biological Macromolecules}, volume = {50}, number = {3}, year = {2012}, month = {APR}, pages = {878-883}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This paper reports a simple novel method for the synthesis of flower like gold nanoparticle (three dimensional branched nanoparticle) with \>30 tips, under controlled temperature condition. Formation of flower like Au nanoparticle was confirmed by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Next step of this paper reveals the potential use of novel hybrids of chitosan-g-glycolic acid and gold nanoflower (AuNF) in controlled drug delivery and tissue engineering applications. The drug loaded novel nanohybrid scaffold is prepared by freeze drying of grafted polymer solution. Grafting of glycolic acid to the chitosan and incorporation of drug were evaluated by Fourier transform infrared spectroscopy (FTIR). The nanohybrid scaffolds were found to be stable towards the pH of the medium. The cell viability study shows that prepared nanohybrid scaffolds are biocompatible. Gold nanoflowers were found to control the drug release rate in the buffer solution (pH 7.4). Therefore, for the glycolic acid grafted chitosan based system, gold nanoflowers are the viable additive for drug delivery. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Chitosan, Drug delivery system, Glycolic acid grafting, Gold nanoflower, Nanocomposite}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2011.10.014}, author = {Kumari, Sangeeta and Singh, Raj Pal} } @article { ISI:000306038600011, title = {Glycolic acid-g-chitosan-Pt-Fe3O4 nanoparticles nanohybrid scaffold for tissue engineering and drug delivery}, journal = {International Journal of Biological Macromolecules}, volume = {51}, number = {1-2}, year = {2012}, month = {JUL}, pages = {76-82}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This work presents the potential use of novel nanohybrid based on chitosan-g-glycolic acid and Pt-Fe3O4 composite nanoparticles in drug delivery and tissue engineering applications. The Pt-Fe3O4 hybrid nanoparticles are prepared by thermal decomposition of H2PtCl6 center dot 6H(2)O at high temperature. The prepared nanoparticles were characterized by transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and physical property measurement system (PPMS). Next step of this paper reveals the potential use of novel hybrids of chitosan-g-glycolic acid and Pt-Fe3O4 hybrid nanoparticles in controlled drug delivery applications. The drug loaded nanohybrid scaffold is prepared by freeze drying of grafted polymer solution. Drug loading and grafting of chitosan was characterized by Fourier transform infrared spectroscopy (FTIR). The cell proliferation also shows that the prepared nanohybrids are biocompatible. The nanohybrid was found to be stable regardless of pH of the medium. Therefore, Pt-Fe3O4 hybrid nanoparticles are viable additive for sustained drug delivery and it could be applied in the field of biomedical. (c) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Cell viability, Chitosan, drug delivery, Glycolic acid grafting, Pt-Fe3O4 hybrid nanoparticle}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2012.01.040}, author = {Kumari, Sangeeta and Singh, Raj Pal} } @article { ISI:000300606400030, title = {Green approach towards size controlled synthesis of biocompatible antibacterial metal nanoparticles in aqueous phase using lysozyme}, journal = {Current Nanoscience}, volume = {8}, number = {1}, year = {2012}, month = {FEB}, pages = {130-140}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Inspired by array of proteins present in nature, we choose lysozyme (hen egg protein) as a model system to synthesize nanoparticles of noble metals to understand the mechanism of interaction as well as to use them for potential applications such as potent antibacterial agents. Lysozyme is a very well studied biomolecule containing aromatic amino acids like tryptophan and tyrosine. Tyrosine has phenoxy group which is considered to be responsible for interacting with the metal ions. Lysozyme can be suitably modified by treatment with N-bromosuccinimide/N-acetylimidazole to obtain tight control over size distribution of nanoparticles. Here we report the direct synthesis of nanocrystals of gold and silver at controlled pH and light conditions without using any known reducing agents. Out of these, synthesis of gold nanoparticles is assisted by the presence of low concentration of Ag+ ions through the galvanic exchange. It is remarkable to note that the structure of protein is not changed drastically as seen by the FTIR studies. As-synthesized lysozyme capped nanoparticles prepared by this method are biocompatible and retain antibacterial property.

}, keywords = {Antibacterial, Biocompatible, Gold, lysozyme, Nanoparticles, Silver}, issn = {1573-4137}, author = {Kumar, Umesh and Ranjan, Amaresh K. and Sharan, Chandrashekhar and Hardikar, Anandwardhan A. and Pundle, Archana and Poddar, Pankaj} } @article { ISI:000302810800004, title = {Green synthetic route to antimalarial and antibacterial agent CJ-15,801 and its isomer cis-CJ-15,801}, journal = {RSC Advances}, volume = {2}, number = {9}, year = {2012}, month = {MAR}, pages = {3596-3598}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An efficient and rapid synthesis of antiplasmodial and antibacterial agent CJ-15,801 and its isomer cis-CJ-15,801 is disclosed. We have made an attempt towards {\textquoteleft}{\textquoteleft}Ideal Synthesis{\textquoteright}{\textquoteright} or a step towards {\textquoteleft}{\textquoteleft}Dial-a-Molecule{\textquoteright}{\textquoteright} by reducing the number of steps, following atom economy, and a green synthetic route.

}, issn = {2046-2069}, doi = {10.1039/c2ra01051h}, author = {Kashinath, K. and Swaroop, Pandrangi Siva and Reddy, D. Srinivasa} } @article { ISI:000307300900016, title = {Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding}, journal = {Chemical Communications}, volume = {48}, number = {71}, year = {2012}, month = {JUL}, pages = {8922-8924}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes a set of hybrid foldamers that do not feature inter-residual, but intra-residual backbone hydrogen-bonding, yet adopt a preferentially folded conformation displaying right-handed helical architecture. Conformational ordering is apparently due to the combined conformational restrictions imposed by the conformationally restricted individual amino acid residues with which the oligomers are made of.

}, issn = {1359-7345}, doi = {10.1039/c2cc33235c}, author = {Priya, Gowri and Kotmale, Amol S. and Gawade, Rupesh L. and Mishra, Deepti and Pal, Sourav and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000308896400057, title = {Heterocyclic tri-urea isocyanurate bridged groups modified periodic mesoporous organosilica synthesized for Fe(III) adsorption}, journal = {Journal of Solid State Chemistry}, volume = {194}, year = {2012}, month = {OCT}, pages = {392-399}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

To achieve a high level of heavy metal adsorption, 1,1{\textquoteright},1 {\textquoteleft}{\textquoteright}-(1,3,5-triazine-2,4,6-triyl)tris(3-(3-(triethoxysilyl) propyl)urea) (TTPU) was synthesized as a novel melamine precursor and incorporated on the silica surface of periodic mesoporous organosilica (PMO). The melamine modified PMOs (MPMOs) were synthesized under acidic conditions using TTPU, tetraethylorthosilicate (TEOS) and Pluronic P123 as a template and the modified PMOs were characterized using the relevant instrumental techniques. The characteristic materials were used as adsorbents for the adsorption of Fe(III) ions. Fe(III) adsorption studies revealed MPMO-7.5 to be a good absorbent with higher adsorption efficiency than other MPMOs. (C) 2012 Elsevier Inc. All rights reserved.

}, keywords = {Adsorption efficiency, Fe(III) adsorption, Melamine, Periodic mesoporous organosilica (PMO)}, issn = {0022-4596}, doi = {10.1016/j.jssc.2012.05.019}, author = {Rana, Vijay Kumar and Selvaraj, M. and Parambadath, Surendran and Chu, Sang-Wook and Park, Sung Soo and Mishra, Satyendra and Singh, Raj Pal and Ha, Chang-Sik} } @article { ISI:000310482800011, title = {Identification of cholesterol binding sites in the serotonin(1A) receptor}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {43}, year = {2012}, month = {NOV}, pages = {12991-12996}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The serotonin(1A) receptor is a representative member of the G protein-coupled receptor (GPCR) superfamily and serves as an important drug target in the development of therapeutic agents for neuropsychiatric disorders. Previous work has shown the requirement of membrane cholesterol in the organization, dynamics, and function of the serotonin(1A) receptor. We show here that membrane cholesterol binds preferentially to certain sites on the serotonin(1A) receptor by performing multiple, long time scale MARTINI coarse-grain molecular dynamics simulations. Interestingly, our results identify the highly conserved cholesterol recognition/interaction amino acid consensus (CRAC) motif on transmembrane helix V as one of the sites with high cholesterol occupancy, thereby confirming its role as a putative cholesterol binding motif. These results represent the first direct evidence for membrane cholesterol binding to specific sites on the serotonin(1A) receptor and represent an important step in our overall understanding of GPCR function in health and disease.

}, issn = {1520-6106}, doi = {10.1021/jp309888u}, author = {Sengupta, Durba and Chattopadhyay, Amitabha} } @article { ISI:000300782600014, title = {In situ electrochemical organization of CdSe nanoclusters on graphene during unzipping of carbon nanotubes}, journal = {Chemical Communications}, volume = {48}, number = {25}, year = {2012}, month = {FEB}, pages = {3088-3090}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In situ decoration of very small CdSe quantum dots on graphene nanoribbons (GNRs) has been achieved during the electrochemical unzipping of single walled carbon nanotubes. Critical parameters like the width of the GNRs, size distribution of quantum dots and their organization on GNRs have been shown to be strongly dependent on the electric field and time.

}, issn = {1359-7345}, doi = {10.1039/c2cc17749h}, author = {Debgupta, Joyashish and Shinde, Dhanraj B. and Pillai, Vijayamohanan K.} } @article { ISI:000305852100053, title = {Influence of Pd-loading on gas sensing characteristics of SnO2 thick films}, journal = {Ceramics International}, volume = {38}, number = {6}, year = {2012}, month = {AUG}, pages = {4835-4844}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Nanocrystalline pristine and 0.5, 1.5 and 3.0 wt\% Pd loaded SnO2 were synthesized by a facile co-precipitation route. These powders were screen-printed on alumina substrates to form thick films to investigate their gas sensing properties. The crystal structure and morphology of different samples were characterized by using X-ray diffraction, scanning electron microscopy and transmission electron microscopy techniques. The 3.0 wt\% Pd:SnO2 showed response of 85\% toward 100 ppm of LPG at operating temperature of 250 degrees C with fast response (8 s) and quick recovery time (24 s). The high response toward LPG on Pd loading can be attributed to lowering of crystallite size (9 nm) as well as the role of Pd particles in exhibiting spill-over mechanism on the SnO2 surface. Also selectivity of 3.0 wt\% Pd:SnO2 toward LPG was confirmed by measuring its response to other reducing gases like acetone (CH3COCH3), ethanol (C2H5OH) and ammonia (NH3) at optimum operating temperature. (C) 2012 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {LPG sensor, Palladium, SnO2, Thick film}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2012.02.073}, author = {Bagal, L. K. and Patil, J. Y. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article {42519, title = {Interfacial and film formation behavior of photoactive Ru(ii)bipyridyl based metallosurfactants and a rare example of a monolayer based logic gate approach}, journal = {Chempluschem}, volume = {77}, year = {2012}, month = {DEC}, pages = {1096{\textendash}1105}, abstract = {

Three derivatives of tris(bipyridyl){\textendash}ruthenium(II) complexes with different alkyl-chain lengths (nC18H37 (1), nC14H29 (2) and nC10H21 (3)) were synthesised. All these complexes behaved as an amphiphile and their surface properties were studied at the air{\textendash}water interface by measuring surface pressure{\textendash}area (Π{\textendash}A) isotherms. The surface morphology of the resulting films at the air{\textendash}water interface was also studied by using Brewster angle microscopy. Mean molecular areas of these complexes were measured from the Π{\textendash}A isotherms, which were approximately 200 {\r A}2, thereby indicating a parallel arrangement of the Ru{\textendash}bipyridyl moiety of the complexes. Mono- and multilayer Langmuir{\textendash}Blodgett (LB) films were formed on different solid surfaces with transfer ratios close to one. Similarities in the absorption and fluorescence spectra of these amphiphiles in solution as well as in LB films deposited on a quartz surface confirmed the successful transfer of these films onto the substrates. The latter provided information about the arrangements of metallosurfactant molecules within the LB films. The two-dimensional concentrations of these films were calculated from the Lambert{\textendash}Beer law as well as from the Π{\textendash}A isotherm, which confirmed regular and reproducible transfer of the complex monolayers from the air{\textendash}water interface onto the quartz surface. The surface morphology of these films on various substrates was characterised by atomic force microscopy. Furthermore, by oxidising the monolayer of complex 3, a one-input sequential logic gate was constructed.

}, doi = {10.1002/cplu.201200207}, author = {Mahato, Prasenjit and Saha, Sukdeb and Choudhury, Sipra and Das, Amitava} } @article {42499, title = {Interrupted PET coupled TBET process for the design of a specific receptor for Hg2+ and its intracellular detection in MCF7 cells}, journal = {Chemical Communications}, volume = {48}, year = {2012}, month = {JUL}, pages = {9293-9295}, abstract = {

A new coumarin{\textendash}rhodamine conjugate constitutes a unique example of the interrupted PET coupled TBET response for developing an imaging reagent for determining the intracellular distribution of Hg2+ in MCF7 cells exposed to [Hg2+] as low as 2 ppb.

}, doi = {10.1039/C2CC34490D}, author = {Saha, Sukdeb and Mahato, Prasenjit and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000305767200035, title = {Intracellular synthesis of gold nanoparticles using alga tetraselmis kochinensis}, journal = {Materials Letters}, volume = {79}, year = {2012}, month = {JUL}, pages = {116-118}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The development of eco-friendly synthesis protocol for the synthesis of nanoscale materials of different compositions, shapes and sizes is an important area of research in the field of nanotechnology. In this paper, we report on the use of alga Tetraselmis kochinensis in the intracellular synthesis of gold nanoparticles of dimensions 5-35 nm. The particles are more concentrated upon the cell wall than on the cytoplasmic membrane, possibly due to reduction of the metal ions by enzymes present in the cell wall and cytoplasmic membrane. These intracellular nanoparticles may have applications in drug delivery, biomedical applications, catalysis, etc. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Algae, Biosynthesis, Nanoparticles, nanotechnology, Tetraselmis kochinensis}, issn = {0167-577X}, doi = {10.1016/j.matlet.2012.04.009}, author = {Senapati, Satyajyoti and Syed, Asad and Moeez, Sana and Kumar, Ashutosh and Ahmad, Absar} } @article { ISI:000300074300005, title = {Intramolecular selective hydrogenation of cinnamaldehyde over CeO2-ZrO2-supported Pt catalysts}, journal = {Journal of Catalysis}, volume = {285}, number = {1}, year = {2012}, month = {JAN}, pages = {31-40}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Selective liquid phase hydrogenation of cinnamaldehyde is reported, for the first time, over CeO2, ZrO2, and CeO2-ZrO2-supported Pt catalysts. Cinnamyl alcohol is the selective product. These catalysts are highly active and selective even at 25 degrees C and found to be superior to most of the hitherto known supported Pt catalysts. Alkali addition (NaOH) has enhanced the performance of these catalysts. At an optimized reaction condition, 95.8\% conversion of cinnamaldehyde and 93.4\% selectivity of cinnamyl alcohol have been obtained. Acidity of the support (due to the presence of ZrO2 component) and higher electron density at Pt (due to CeO2 component) are attributed to be responsible for the superior catalytic activity of Pt supported on CeO2-ZrO2 composite material. (C) 2011 Elsevier Inc. All rights reserved.

}, keywords = {alpha, beta-Unsaturated aldehyde, Ceria-zirconia, Cinnamaldehyde, Hydrogenation, Promotion by alkali ions, Supported Pt catalyst}, issn = {0021-9517}, doi = {10.1016/j.jcat.2011.09.006}, author = {Bhogeswararao, Seemala and Srinivas, D.} } @article { ISI:000300999700014, title = {Kinetic analysis of 4-isopropylphenol hydrogenation over activated carbon-supported rhodium catalysts in supercritical carbon dioxide solvent}, journal = {Green Chemistry}, volume = {14}, number = {3}, year = {2012}, month = {Jan}, pages = {633-638}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Hydrogenation behavior of 4-isopropylphenol to 4-isopropylcyclohexanol over activated carbon-supported rhodium catalysts in supercritical carbon dioxide (scCO(2)) at 313 K was studied in a batch reactor and the results were compared with those in 2-propanol. Higher yields of cis-4-isopropylcyclohexanol were obtained in scCO(2) than in 2-propanol, and the formation of a byproduct, isopropylcyclohexane, was suppressed in scCO(2). The catalyst modification with hydrochloric or phosphoric acid enhanced the yield of cis-4-isopropylcyclohexanol in both scCO(2) and 2-propanol solvents. Kinetic analyses of the reaction profiles revealed higher reaction rates in scCO(2) than those in 2-propanol for the 4-isopropylcyclohexanol formation both by the direct hydrogenation of 4-isopropylphenol and by the consecutive hydrogenation of 4-isopropylcyclohexanone, and also revealed that the addition of hydrochloric acid increased the consecutive hydrogenation rate of 4-isopropylcyclohexanone to cis-4-isopropylcyclohexanol, which reduced the total reaction time needed for the complete hydrogenation of 4-isopropylphenol to 4-isopropylcyclohexanol.

}, issn = {1463-9262}, doi = {10.1039/c1gc16038a}, author = {Hiyoshi, Norihito and Sato, Osamu and Yamaguchi, Aritomo and Rode, Chandrashekhar V. and Shirai, Masayuki} } @article { ISI:000304338300004, title = {Kinetic studies of amino acid-based surfactant binding to DNA}, journal = {Journal of Physical Chemistry B}, volume = {116}, number = {20}, year = {2012}, month = {MAY}, pages = {5831-5837}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this work, the binding kinetics of amino acid-based surfactants, presenting different linkers and head groups, with calf thymus (CT)-DNA was studied using stopped-flow fluorescence spectroscopy. The kinetic studies were carried out as a function of Na+ concentration and surfactant-to-DNA charge ratio. The surfactant binding on DNA took place in two consecutive steps, for which the corresponding first and second relative rate constants (k(1) and k(2)) were determined. The fast step was attributed to the surfactant binding to DNA and micelle formation in its vicinity, the slower step to DNA condensation and possible rearrangement of the surfactant aggregates. In general, both relative rate constants increase with surfactant concentration and decrease with the ionic strength of the medium. The architecture of the surfactant was found to have a significant impact on the kinetics of the DNA surfactant complexation. Surfactants with amide linkers showed larger relative rate constants than those with ester linkers. The variation of the relative rate constants with the head groups of the surfactants, alanine and proline, was found to be less obvious, being partially dependent on the surfactant concentration.

}, issn = {1520-6106}, doi = {10.1021/jp301069t}, author = {Santhiya, Deenan and Dias, Rita S. and Dutta, Sounak and Das, Prasanta Kumar and Miguel, Maria G. and Lindman, Bjorn and Maiti, Souvik} } @article { ISI:000305033900088, title = {Kinetics of hydrogenation of lauric acid in a batch slurry reactor using Ru-Sn/TiO2 catalyst}, journal = {Asian Journal of Chemistry}, volume = {24}, number = {6}, year = {2012}, month = {JUN}, pages = {2767-2771}, publisher = {ASIAN JOURNAL OF CHEMISTRY}, address = {11/100 RAJENDRA NAGAR, SECTOR 3,, SAHIBABAD 201 005, GHAZIABAD, INDIA}, abstract = {

Ru-Sn catalyst was prepared in-house by impregnation method. This catalyst was found to be stable for four recycles. The rate of hydrogenation of lauric acid (LAC) using Ru-Sn/TiO2 catalyst was found to be linearly dependent on catalyst loading, lauric acid concentration old hydrogen partial pressure. The rate data obtained from kinetic study were fitted to simple rate equation based on Langmuir-Hinshelwood (L-H) type model. Based on kinetic data the hydrogenation of lauric acid over Ru-Sn/TiO2 catalyst is proposed to occur by I dual site mechanism the activation energy for hydrogenation of lauric acid to lauryl alcohol (LAOH) using Rii-Sn/TiO2 catalyst was found to be 77.2 kJ/mol.

}, keywords = {Hydrogenation, kinetics, Langmuir-Hinshelwood model, Ru-Sn/TiO2 catalyst}, issn = {0970-7077}, author = {Shinde, S. B. and Deshpande, R. M.} } @article { ISI:000307479100016, title = {Lamellar melting, not crystal motion, results in softening of polyoxymethylene on heating}, journal = {Macromolecules}, volume = {45}, number = {15}, year = {2012}, month = {AUG}, pages = {5967-5978}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We probe temperature-dependent changes in the semicrystalline microstructure of polyoxymethylene using a combination of modulated DSC, SAXS, and solid-state NMR to characterize macroscopic behavior, lamellar-level structure, and molecular environments, respectively, and correlate these with the change in mechanical properties probed using DMA and AFM. Two model samples are investigated: a melt crystallized sample prepared by injection molding and a sample obtained by crystallization from dilute solution. Our investigations reveal that, for both samples, there is an increase in crystalline motions and in the amorphous content on heating. DMA and AFM measurements reveal that the modulus of the molded sample decreases on heating to about 100 degrees C; however, there is a significant difference in behavior of the solution crystals, where we observe no significant decrease in stiffness (from AFM measurements). Thus, in contrast to previous reports, we demonstrate that the decrease in modulus on heating polyoxymethylene does not correlate with chain motions in the crystalline regions. We use SAXS to probe the semicrystalline morphology for the samples on heating and show that, for the molded sample, there is a distribution of lamellar thickness at room temperature and that the thin lamellae in this distribution melt on heating. In contrast to the behavior of the melt crystallized samples, the solution crystals exhibit no change in the lamellar stacking on heating to 150 degrees C. We also demonstrate that, on heating, the amorphous regions in the solution crystals always appear to have restricted mobility while there are mobile and low mobility amorphous regions in the molded samples. Our results suggest that, contrary to conventional belief, the decrease in modulus on heating polyoxymethylene arises not from motions in the crystalline lamellae but primarily from melting of thin lamellae.

}, issn = {0024-9297}, doi = {10.1021/ma3004423}, author = {Kumaraswamy, Guruswamy and Surve, Nikita S. and Mathew, Renny and Rana, Abhimanyu and Jha, Saroj K. and Bulakh, Neelima N. and Nisal, Anuya and Ajithkumar, Thalasseril G. and Rajamohanan, P. R. and Ratnagiri, Ram} } @article { ISI:000308519200010, title = {Larvicidal potential of mimusops elengi against aedes aegypti (L) and Culex quinquefasciatus (Say)}, journal = {Journal of Vector Borne Diseases}, volume = {49}, number = {2}, year = {2012}, month = {JUN}, pages = {111-113}, publisher = {MALARIA RESEARCH CENTRE, INDIAN COUNCIL MEDICAL RESEARCH-ICMR}, address = {22 SHAM NATH MARG, DELHI, 00000, INDIA}, keywords = {Aedes aegypti, Culex quinquefasciatus, larvicidal activity, Mimusops elengi}, issn = {0972-9062}, author = {Ruikar, Anjali D. and Pawar, Pushpa V. and Sen, Avalokiteswar and Phalgune, Usha D. and Puranik, Vedavati G. and Deshpande, Nirmala R.} } @article { ISI:000310940500009, title = {Laser synthesized super-hydrophobic conducting carbon with broccoli-type morphology as a counter-electrode for dye sensitized solar cells}, journal = {Nanoscale}, volume = {4}, number = {21}, year = {2012}, month = {NOV}, pages = {6730-6734}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A laser photochemical process is introduced to realize superhydrophobic conducting carbon coatings with broccoli-type hierarchical morphology for use as a metal-free counter electrode in a dye sensitized solar cell. The process involves pulsed excimer laser irradiation of a thin layer of liquid haloaromatic organic solvent o-dichlorobenzene (DCB). The coating reflects a carbon nanoparticle-self assembled and process-controlled morphology that yields solar to electric power conversion efficiency of 5.1\% as opposed to 6.2\% obtained with the conventional Pt-based electrode.

}, issn = {2040-3364}, doi = {10.1039/c2nr32082g}, author = {Gokhale, Rohan and Agarkar, Shruti A. and Debgupta, Joyashish and Shinde, Deodatta and Lefez, Benoit and Banerjee, Abhik and Jog, Jyoti Prakash and More, Mahendra A. and Hannoyer, Beatrice and Ogale, Satishchandra B.} } @article { ISI:000309787500006, title = {Ligand promoted and controlled palladium-catalyzed intramolecular Heck reaction of homoallyl alcohols: a facile synthesis of cyclopentaannulated quinolines}, journal = {Tetrahedron}, volume = {68}, number = {45}, year = {2012}, month = {NOV}, pages = {9206-9210}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Bidentate phosphine ligands in palladium-catalyzed intramolecular Heck reactions of 2-chloroquinolin-3-yl-(1-homoallyl)alcohols are described to afford facile synthesis of 3-methylene-2,3-dihydro-1H-cy-clopenta[b]quinolines in improved yields. We further observed using bulky aromatic phosphine ligand in Pd-catalyzed intermolecular Heck coupling reaction at olefinic centers with iodobenzene also favored exclusively Heck products in excellent yield. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Heck cyclization, Homoallyl alcohol, Ligand promoted, Palladium-catalyzed, Quinoline}, issn = {0040-4020}, doi = {10.1016/j.tet.2012.08.088}, author = {Singh, Radhey M. and Chandra, Atish and Sharma, Neha and Singh, Bhawana and Kumar, Ritush} } @article { ISI:000300458300075, title = {Low plasma albumin levels are associated with increased plasma protein glycation and HbA1c in diabetes}, journal = {Journal of Proteome Research}, volume = {11}, number = {2}, year = {2012}, month = {FEB}, pages = {1391-1396}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Albumin is one of the most abundant plasma proteins and is heavily glycated in diabetes. In this study, we have addressed whether variation in the albumin levels influence glycation of plasma proteins and HbA1c. The study was performed in three systems: (1) streptozotocin (STZ)-induced diabetic mice plasma, (2) diabetic clinical plasma, and (3) in vitro glycated plasma. Diabetic mice and clinical plasma samples were categorized as diabetic high albumin plasma (DHAP) and diabetic low albumin plasma (DLAP) on the basis of their albumin levels. For the in vitro experiment, two albumin levels, high albumin plasma (HAP) and low albumin plasma (LAP), were created by differential depletion of plasma albumin. Protein glycation was studied by using a combination of two-dimensional electrophoresis (2DE), Western blotting, and LC-MSE. In both mice and clinical experiments, an increased plasma protein glycation was observed in DLAP than in DHAP. Additionally, plasma albumin levels were negatively correlated with HbA1c. The in vitro experiment with differential depletion of albumin mechanistically showed that the low albumin levels are associated with increased plasma protein glycation and that albumin competes for glycation with other plasma proteins.

}, keywords = {advanced glycation end products (AGEs), Albumin, glucose, post translational modification}, issn = {1535-3893}, doi = {10.1021/pr201030m}, author = {Bhonsle, Hemangi S. and Korwar, Arvind M. and Kote, Sachin S. and Golegaonkar, Sandeep B. and Chougale, Ashok D. and Shaik, Mahemud L. and Dhande, Nitin L. and Giri, Ashok P. and Shelgikar, Kishore M. and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000302143900017, title = {Magnetic and magnetoelastic properties of Zn-doped cobalt-ferrites-CoFe2-xZnxO4 (x=0, 0.1, 0.2, and 0.3)}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {324}, number = {14}, year = {2012}, month = {JUL}, pages = {2286-2291}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Cobalt-ferrite (CoFe2O4) based materials are suitable candidates for magnetomechanical sensor applications owing to a strong sensitivity of their magnetostriction to an applied magnetic field. Zn-doped cobalt-ferrites, with nominal compositions CoFe2-xZnxO4 (x=0-0.3), were synthesized by auto-combustion technique using Co-, Fe-, and Zn-nitrate as precursors. X-ray spectra analysis and Transmission electron microscopy studies revealed that the as-prepared powders were comprised of nano-crystalline (similar to 25-30 nm) cubic-spinel phase with irregularly-shaped grains morphology along with minor impurity phases. Calcination (800 degrees C for 3 h) of the precursor followed by sintering (1300 degrees C for 12 h) resulted in a single phase cubic-spinel structure with average grain size similar to 2-4 mu m, as revealed from scanning electron micrographs. The magnitude of coercive field decreases from similar to 540 Oe for x=0 to 105 Oe for x=0.30. Saturation magnetization initially increases and peaks to similar to 87 emu/g for x=0.2 and then decreases. The peak value of magnetostriction monotonically decreases with increasing Zn content in the range 0.0-0.3; however the piezomagnetic coefficient (d lambda/dH) reaches a maximum value of 105 x 10(-9) Oe-1 for x=0.1. The observed variation in piezomagnetic coefficient in the Zn substituted cobalt ferrite is related to the reduced anisotropy of the system. The Zn-doped cobalt-ferrite (x=0.1) having high strain derivative could be a potential material for stress sensor application. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Cobalt-ferrite, Magnetic-properties, Magnetostriction}, issn = {0304-8853}, doi = {10.1016/j.jmmm.2012.02.116}, author = {Somaiah, Nalla and Jayaraman, Tanjore V. and Joy, Pattayil Alias and Das, Dibakar} } @article { ISI:000302150700005, title = {Mapping of tms8 gene for temperature-sensitive genic male sterility (TGMS) in rice (Oryza sativa L.)}, journal = {Plant Breeding}, volume = {131}, number = {1}, year = {2012}, month = {FEB}, pages = {42-47}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Genetic analysis of F-2 and backcross populations of an induced temperature-sensitive genic male sterility (TGMS) mutant source F 61 with normal pollen parents revealed that TGMS trait was controlled by a single recessive gene. Molecular tagging of TGMS trait was attempted using polymorphic randomly amplified polymorphic DNA (RAPD) and simple sequence repeats (SSR) markers through bulked segregant analysis. The RAPD primers UBC 345830, UBC 313927, microsatellites RM224 and RM21 produced putative markers, which differentiate parents and bulks from sterile parent and sterile bulks. The RAPD analysis of individual F-2 plants with the primer UBC345(830) showed perfect marker-phenotype cosegregation. The 830-bp RAPD fragment, which segregated with TGMS locus at a distance of 1.33 cM, was eluted and cloned, and sequence information was used for designing sequence-characterized amplified region (SCAR) primer, which cosegregated with TGMS locus at a distance of 0.8 cM. TGMS locus was mapped onto chromosome 11 using RM21 and RM224, flanking it at a distance of 4.3 and 3.0 cM, respectively. The DNA markers tightly linked to TGMS gene (tms8) in F 61 can be cost effectively used for marker-assisted selection of TGMS trait.

}, keywords = {Bulked segregant analysis, randomly amplified polymorphic DNA, rice, sequence-characterized amplified region, SSR, temperature-sensitive genic male sterility}, issn = {0179-9541}, doi = {10.1111/j.1439-0523.2011.01897.x}, author = {Hussain, Appibhai J. and Ali, Jauhar and Siddiq, Ebrahimali A. and Gupta, Vidya S. and Reddy, Umesh K. and Ranjekar, Prabhakar K.} } @article { ISI:000308731400012, title = {Mn(III) based binapthyl schiff base complex hetrogenized over organo-modified SBA-15: synthesis, characterization and catalytic application}, journal = {Applied Catalysis A-General}, volume = {439}, year = {2012}, month = {OCT}, pages = {101-110}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A heterogenized organocatalyst was synthesized by the covalent anchoring; of the complex chloro (S,S)(-)[N-3-tert-butyl-5-chloromethyl salicylidene]-N{\textquoteright}-[3{\textquoteright},5{\textquoteright}-di-tert-butyl salicylidene] 1,1{\textquoteright}-binapthyl-2,2{\textquoteright}-diamine manganese(III) over modified mesoporous surface of SBA-15 through the reactive 3-aminopropyl trimethoxysilane (3-APTMS) group. The surface properties of the functionalized catalyst were analyzed by a series of characterization techniques such as elemental analysis, XRD, N-2 sorption measurement isotherm, FT-IR, TGA-DTA, XPS, and solid state C-13 NMR. The XRD and N-2 sorption measurement, UV reflectance and CP MAS NMR spectroscopy (C-13 and Si-29) of the catalyst confirmed the structural integrity of the mesoporous hosts and the spectroscopic characterization technique proved the successful anchoring of the metal complex over the modified mesoporous support. The screening of the catalyst Mn(III)-L-SBA-15 and neat Mn(III)-L complexes was done in the oxidation reaction of thioanisole (methyl phenyl sulfide) by using TBHP as an oxidant. Mn(III)-L-SBA-15 catalyst shows higher activities and turnover number (TON) and exhibit enhanced enantiomeric excess comparable to homogeneous catalyst [Mn(III)-L]. [Mn(III)-L-SBA-15] catalyst was found more active than homogeneous catalyst [Mn(III)-L]; Moreover bulkier alkene like 1,2-dihydronapthalene was also efficiently epoxidised with the synthesized supported catalyst. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Binaphthyl ligand, Chiral Schiff-base, Immobilization, Post grafting synthesis}, issn = {0926-860X}, doi = {10.1016/j.apcata.2012.06.048}, author = {Sharma, Priti and Lazar, Anish and Singh, A. P.} } @article { ISI:000311184500020, title = {Modeling of liquid propellant combustion chamber}, journal = {Chemical Engineering Journal}, volume = {207}, number = {SI}, year = {2012}, note = {22nd International Symposium on Chemical Reaction Engineering (ISCRE), Maastricht, NETHERLANDS, SEP 02-05, 2012}, month = {OCT}, pages = {151-166}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Liquid propellants are fuels which do not require external supply of oxygen for combustion. These fuels are widely used for propulsion applications in oxygen rare environments (underwater, space). We had previously presented a model for solid propellant decomposition in a combustion chamber. In this study we extend the model for the case of combined solid and liquid propellant combustion. Sub-models relating to solid propellant combustion and outlet flow-rate in the present study are borrowed from the previous study. The combustion chamber is assumed to be a {\textquoteleft}well-mixed reactor{\textquoteright}. A model is developed to characterize the liquid propellant spray assuming the spray is a collection of individually burning droplets. A single droplet decomposition model was developed and used along-with the spray model to solve for the liquid propellant burning rate. Appropriate numerical methods and computer programs were developed to solve the model equations. The model predictions were compared with the experimental data obtained in earlier studies. Appropriate methodology for calibrating the model parameters was developed and its usefulness was demonstrated by comparing the simulated pressure profiles with the experimental pressure profiles. The presented model and results will be useful for selecting appropriate liquid propellants for propulsion systems and for the development of a system level model of propulsion systems. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Liquid propellant, Single droplet decomposition, Spray combustion}, issn = {1385-8947}, doi = {10.1016/j.cej.2012.06.033}, author = {Pandit, Ajinkya V. and Kumar, Ashok and Rao, G. Srinivasa and Kedarnath, C. and Srihari, R. and Ranade, Vivek V.} } @article { ISI:000307920400025, title = {MOF with hydroxynaphthoquinone as organic linker: molecular structure of [Zn(Chlorolawsone)(2)(H2O)(2)] and thermogravimetric studies}, journal = {Journal of Molecular Structure}, volume = {1022}, year = {2012}, month = {AUG}, pages = {189-196}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Zinc complexes as MOF with hydroxynaphthoquinone as organic linkers are synthesized and characterized. The complexes Zn-1; [Zn(lawsone)(2)(H2O)(2)]center dot 3H(2)O and Zn-2; [Zn(chlorolawsone)(2)(H2O)(2)]center dot H2O, where lawsone is 2-hydroxy-1,4-naphthoquinone and chlorolawsone is 3-chloro-2-hydroxy-1,4-naphthoquinone, serve as hosts for adsorbed water molecules. nu(c=O) shows shift towards lower frequencies similar to 25 cm(-1) in Zn-1 and similar to 35 cm(-1) in Zn-2 in FTIR spectra. (HNMR)-H-1 shows upfield shift in Zn-1 and downfield shift in Zn-2 to the benzenoid ring protons. Bathochromic shift has been observed to the charge transfer band in UV-visible spectra of both complexes. The mass loss of adsorbed water molecules have been observed \<100 degrees C in thermogravimetric (TG) studies. Three adsorbed water molecules are present in Zn-1, while one in Zn-2. X-ray diffraction studies of Zn-2 show, distorted octahedral geometry around Zn(II). The two chlorolawsone ligands are in plane with the metal, while water molecules are trans to this plane. Formation of MOF has been observed in the synthesis of Zn-2 with chlorolawsone as organic linkers. The structure is stabilized by O-H center dot center dot center dot O, C-H center dot center dot center dot O hydrogen bonding H-bonding along with Cl center dot center dot center dot pi interactions to form a beautiful MOF architecture. Zn(II) atoms along with organic ligand form a tetramer via O-H center dot O interactions. The shortest Zn center dot center dot center dot Zn distance is 5.04 angstrom. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {3-Chloro-2-hydroxy-1, 4-naphthoquinone, MOF, Naphthoquinone, O-H center dot center dot center dot O hydrogen bonding, Vapochromic behavior, Zinc complexes}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2012.05.012}, author = {Salunke-Gawali, Sunita and Kathawate, Laxmi and Puranik, Vedavati G.} } @article { ISI:000300041700030, title = {Molecular oxygen-assisted oxidative dehydrogenation of ethylbenzene to styrene with nanocrystalline Ti1-xVxO2}, journal = {Green Chemistry}, volume = {14}, number = {2}, year = {2012}, month = {DEC}, pages = {461-471}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Oxidative dehydrogenation of ethylbenzene to styrene has been studied with vanadium-incorporated mesoporous nanocrystalline titania (Ti1-xVxO2) and molecular oxygen between 440 and 530 degrees C. Incorporation of V in TiO2 lattice framework has been achieved by simple solution combustion method. Incorporation of V in TiO2 lattice has been confirmed by X-ray diffraction, XPS and Raman spectra and other physicochemical analysis. High ethyl benzene conversion and stable styrene yield has been observed with 10\% V-containing rutile phase titania at 500 degrees C. However, stable but relatively lower styrene yield has been observed with 2 and 5\% V-containing catalysts between 440 and 500 degrees C. Highest selectivity is observed with lower vanadium content. Comparable activity has been observed under similar experimental conditions with four times higher air-flow than that of O-2. In order to understand the structure activity relationship, spent catalysts were analyzed by all physico-chemical methods. Although there is a phase change from anatase to rutile Ti1-xVxO2 within 1 h of reaction, higher activity is primarily attributed to the ionic V5+ in Ti1-xVxO2 lattice, which prevents agglomeration to V2O5. It is to be underscored the reactivity is retained at the cost of textural properties and phase change from anatase to rutile, which is essential for the reaction.

}, issn = {1463-9262}, doi = {10.1039/c1gc15907k}, author = {Sivaranjani, Kumarsrinivasan and Verma, Akrati and Gopinath, Chinnakonda S.} } @article { ISI:000302023500017, title = {Morphology controlled synthesis of LiV(2)0(5)/Ag nanocomposite nanotubes with enhanced electrochemical performance}, journal = {RSC Advances}, volume = {2}, number = {8}, year = {2012}, month = {MAR}, pages = {3231-3233}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Uniformly embedded silver (Ag) nanoparticles in orthorhombic nanotubes (NTs) of lithium vanadium oxide (LVO) synthesized via a facile template-free hydrothermal treatment at low temperature exhibited an excellent morphology with good crystallinity and may act as an exceptional contender for electronic applications.

}, issn = {2046-2069}, doi = {10.1039/c2ra01289h}, author = {Diggikar, Rahul S. and Dhavale, Vishal M. and Shinde, Dhanraj B. and Kanbargi, Nihal S. and Kulkarni, Milind V. and Kale, Bharat B.} } @article { ISI:000310068800011, title = {Multifaceted folding in a foldamer featuring highly cooperative folds}, journal = {Chemical Communications}, volume = {48}, number = {91}, year = {2012}, month = {SEP}, pages = {11205-11207}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we report on the folding pattern observed in a synthetic peptide featuring two highly mutually dependent, yet strikingly dissimilar, closed networks of hydrogen-bonded rings that work in a cumulative fashion to stabilize the entire folded architecture of the peptide. Structural studies unequivocally suggest that disruption of any one of these mutually-dependent hydrogen-bonded networks is deleterious to the stability of the fully folded conformation of the peptide.

}, issn = {1359-7345}, doi = {10.1039/c2cc35649j}, author = {Ramesh, Veera V. E. and Priya, Gowri and Kotmale, Amol S. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000321561204290, title = {Multi-Hit action of membrane active peptides: towards understanding bacterial cell killing}, journal = {Biophysical Journal}, volume = {102}, number = {3, 1}, year = {2012}, note = {56th Annual Meeting of the Biophysical-Society, San Diego, CA, FEB 25-29, 2012}, month = {JAN}, pages = {616A}, publisher = {Biophys Soc}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Moiset, Gemma and Cirac, Anna D. and Mika, Jacek T. and Kocer, Armagan and Stuart, Marc C. A. and Sengupta, Durba and Marrink, Siewert-Jan and Poolman, Bert} } @article { ISI:000306766200040, title = {NaIO4-NaN3-mediated diazidation of styrenes, alkenes, benzylic alcohols, and aryl ketones}, journal = {Tetrahedron Letters}, volume = {53}, number = {32}, year = {2012}, month = {AUG}, pages = {4195-4198}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Sodium periodate and sodium azide combination has been found to be an excellent reagent system suitable for the direct diazidation of styrenes, alkenes, benzylic alcohols, and aryl ketones to produce the corresponding vicinal and geminal diazides respectively in high yields under mild reaction conditions. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {alkenes, Aryl ketones, Geminal diazides, Sodium periodate, Vicinal diazides}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.05.140}, author = {Kamble, Dayanand A. and Karabal, Pratibha U. and Chouthaiwale, Pandurang V. and Sudalai, Arumugam} } @article { ISI:000299291900033, title = {Nanocomposite silica surfactant microcapsules by evaporation induced self assembly: tuning the morphological buckling by modifying viscosity and surface charge}, journal = {Soft Matter}, volume = {8}, number = {6}, year = {2012}, month = {DEC}, pages = {1955-1963}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Nanocomposite microcapsules of silica and surfactants have been synthesized using evaporation induced self-assembly through spray drying. It was established using electron microscopy and small-angle neutron/X-ray scattering experiments that the viscosity of the virgin dispersion and surface charge of colloidal components play a significant role in the buckling of spray droplets during drying. Hollow spherical grains are realized at relatively low viscosity and higher surface charge while mushroom like grains manifest at higher viscosity and lower surface charge. In the intermediate conditions, deformed doughnut shaped microcapsules are obtained. Scattering experiments establish the presence of the organization of micelle like aggregates of surfactants in the dried grains and also corroborate with the observations from electron microscopy. A plausible mechanism regarding the chronological pathways of morphological transformation is illustrated. Computer simulation, based on buckling of an elastic shell using a surface evolver, has been attempted in order to corroborate the experimental results.

}, issn = {1744-683X}, doi = {10.1039/c1sm06964k}, author = {Sen, D. and Bahadur, Jitendra and Mazumder, S. and Verma, G. and Hassan, P. A. and Bhattacharya, S. and Vijai, K. and Doshi, Pankaj} } @article { ISI:000300864500001, title = {Nitrate reduction pathways in mycobacteria and their implications during latency}, journal = {Microbiology-SGM}, volume = {158}, number = {2}, year = {2012}, month = {FEB}, pages = {301-307}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

Mycobacterial persistence has gained a lot of attention with respect to developing novel antitubercular drugs, which could drastically reduce the duration of tuberculosis (TB) therapy. A better understanding of the physiology of Mycobacterium tuberculosis, and of the metabolic state of the bacillus during the latent period, is a primary need in finding drug targets against persistent TB. Recent biochemical and genetic studies of nitrate reduction in mycobacteria have revealed the roles of distinct proteins and enzymes involved in the pathway. The differential degree of nitrate reduction among pathogenic and non-pathogenic mycobacterial species, and its regulation during oxygen and nutrient limitation, suggest a link between nitrate reduction pathways and latency. The respiratory and assimilatory reduction of nitrate in mycobacteria may be interconnected to facilitate rapid adaptation to changing oxygen and/or nitrogen conditions, increasing metabolic flexibility for survival in the hostile host environment. This review summarizes the nitrate metabolic pathways operative in mycobacteria to provide an insight into the mechanisms that M. tuberculosis has evolved to adapt successfully to the host environment.

}, issn = {1350-0872}, doi = {10.1099/mic.0.054759-0}, author = {Khan, Arshad and Sarkar, Dhiman} } @conference {42775, title = {Non-isothermal kinetics of free-redical polymerization of 2-phenyl ethyl acrylate, paper presented at ?third international multicomponent polymer conference? impc 2012}, booktitle = {Third International Multicomponent Polymer Conference IMPC 2012, Kottayam, India.}, year = {2012}, month = {JAN}, address = {Kottayam, India.}, author = {Ghorpade, Ravindra V. and Rajdeo, K. S. and Ponrathnam S. and Chavan N. N.} } @article { ISI:000306651100077, title = {Novel anti-inflammatory activity of epoxyazadiradione against macrophage migration inhibitory factor inhibition of tautomerase and proinflammatory activities of macrophage migration inhibitory factor}, journal = {Journal of Biological Chemistry}, volume = {287}, number = {29}, year = {2012}, month = {JUL}, pages = {24844-24861}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

Macrophage migration inhibitory factor (MIF) is responsible for proinflammatory reactions in various infectious and noninfectious diseases. We have investigated the mechanism of anti-inflammatory activity of epoxyazadiradione, a limonoid purified from neem (Azadirachta indica) fruits, against MIF. Epoxyazadiradione inhibited the tautomerase activity of MIF of both human (huMIF) and malaria parasites (Plasmodium falciparum (PfMIF) and Plasmodium yoelii (PyMIF)) non-competitively in a reversible fashion (K-i, 2.11-5.23 mu M). Epoxyazadiradione also significantly inhibited MIF (huMIF, PyMIF, and PfMIF)-mediated proinflammatory activities in RAW 264.7 cells. It prevented MIF-induced macrophage chemotactic migration, NF-kappa B translocation to the nucleus, up-regulation of inducible nitric-oxide synthase, and nitric oxide production in RAW 264.7 cells. Epoxyazadiradione not only exhibited anti-inflammatory activity in vitro but also in vivo. We tested the anti-inflammatory activity of epoxyazadiradione in vivo after co-administering LPS and MIF in mice to mimic the disease state of sepsis or bacterial infection. Epoxyazadiradione prevented the release of proinflammatory cytokines such as IL-1 alpha, IL-1 beta, IL-6, and TNF-alpha when LPS and PyMIF were co-administered to BALB/c mice. The molecular basis of interaction of epoxyazadiradione with MIFs was explored with the help of computational chemistry tools and a biological knowledge base. Docking simulation indicated that the binding was highly specific and allosteric in nature. The well known MIF inhibitor (S, R)-3-(4-hydroxyphenyl)-4,5-dihydro-5-isoxazole acetic acid methyl ester (ISO-1) inhibited huMIF but not MIF of parasitic origin. In contrast, epoxyazadiradione inhibited both huMIF and plasmodial MIF, thus bearing an immense therapeutic potential against proinflammatory reactions induced by MIF of both malaria parasites and human.

}, issn = {0021-9258}, doi = {10.1074/jbc.M112.341321}, author = {Alam, Athar and Haldar, Saikat and Thulasiram, Hirekodathakallu V. and Kumar, Rahul and Goyal, Manish and Iqbal, Mohd Shameel and Pal, Chinmay and Dey, Sumanta and Bindu, Samik and Sarkar, Souvik and Pal, Uttam and Maiti, Nakul C. and Bandyopadhyay, Uday} } @article { ISI:000307814000728, title = {Novel mechanism involved in temporal regulation of skin pigmentation homeostasis}, journal = {Journal of Investigative Dermatology}, volume = {132}, number = {2}, year = {2012}, note = {42nd Annual Meeting of the European-Society-for-Dermatological-Research (ESDR), Venice, ITALY, SEP 07-10, 2012}, month = {SEP}, pages = {S128}, publisher = {European Soc Dermatol Res (ESDR)}, address = {75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA}, issn = {0022-202X}, author = {Ganju, Parul and Natarajan, V. T. and Singh, A. and Vijayan, V. and Dani, Prachi P. and Kar, H. K. and Natarajan, K. and Gadgil, Chetan J. and Rani, R. and Gokhale, R. S.} } @article { ISI:000311971400028, title = {Novel porous silica encapsulated Au nanoreactors as peroxidase mimic for one-pot glucose detection}, journal = {New Journal of Chemistry}, volume = {36}, number = {12}, year = {2012}, month = {DEC}, pages = {2625-2629}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The peroxidase family of natural enzymes facilitate H2O2 reduction by one electron transfer through aromatic substrates, if chromogenic, they can be used in the colorimetric detection of H2O2 and subsequently glucose in tandem with glucose oxidase. Au nanoparticles encapsulated within porous silica exhibited peroxidase mimetic activity and kinetic parameter evaluation indicates an excellent affinity for H2O2. It is also shown to have a detection capability for glucose in very low concentrations and could be used for glucose detection in a one-pot assay. The material is synthesised by using cation-ended thiol-stabilised ultra small gold clusters as precursors. Removal of the thiols creates micropores within the silica, making this material unique in that the active centres are protected inside the silica, yet are accessible to reactant molecules. This characteristic makes the material ideal as a detection tool where attrition resistance will be advantageous.

}, issn = {1144-0546}, doi = {10.1039/c2nj40665a}, author = {Samanta, Anupam and Dhar, Basab B. and Devi, R. Nandini} } @article { ISI:000304686200040, title = {Novel route for rapid biosynthesis of copper nanoparticles using aqueous extract of Calotropis procera L. latex and their cytotoxicity on tumor cells}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {95}, year = {2012}, month = {JUN}, pages = {284-288}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This paper accounts for novel, low-cost, eco-friendly route for rapid biosynthesis of copper nanoparticles. Cysteine proteases present in the latex of Calotropis procera L. were used to fabricate copper nanoparticles from copper acetate. Copper nanoparticles were initially characterized by transmission electron microscopy (TEM) and X-ray diffraction technique (XRD). Transmission electron microscopy (TEM) was used to estimate the size and shape of nanoparticles. The average size of copper nanoparticles was found to be 15 +/- 1.7 nm. Energy dispersive analysis of X-rays (EDAX) showed distinct peaks of copper. Fourier transform infrared spectroscopy (FTIR) was performed to confirm capping behavior of the latex proteins that contributed to long term stability of copper nanoparticles (6 months) in aqueous medium. Copper nanoparticles synthesized by above method were monodisperse type. Cytotoxicity studies of latex stabilized copper nanoparticles were carried out on HeLa, A549 and BHK21 cell lines by MTT dye conversion assay. HeLa, A549 and BHK21 cells showed excellent viability even at 120 mu M concentration of copper nanoparticles. This shows that copper nanoparticles synthesized by above method hold excellent biocompatibility. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Biocompatible, Copper nanoparticles, FTIR, Latex, Tumor cells, X-ray diffraction technique (XRD)}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2012.03.005}, author = {Harne, Shrikant and Sharma, Ashwinikumar and Dhaygude, Mayur and Joglekar, Shriram and Kodam, Kisan M. and Hudlikar, Manish} } @article {42644, title = {Novel solid cloisite tin catalyzed polymerization of L-lactide}, journal = {Journal of Chemistry and Chemical Engineering}, volume = {6}, year = {2012}, month = {JAN}, pages = { 54-60 }, abstract = {

A novel cloisite modified solid catalyst was prepared in a single step from commercially available starting materials for the first time. The ring opening polymerization of L-lactide and D-lactide using this cloisite modified solid catalyst resulted in homopolymers of 75,000 and PDI = 1.6 and the maximum molecular weight (Mw) i.e. 180,000 with PDI = 1.9 were obtained. The catalytic activity of cloisite modified solid catalyst was compared with the conventional stannous octoate catalyst and found superior to stannous octoate in all respect such as conversion, molecular weight and molecular weight distribution etc.. Moreover, the maximum molecular weight i.e. 180,000was obtained at 220 o C, whereas, transesterification reaction predominate in presence of stannous octoate. The linear structure was confirmed by quantitative 13C NMR Spectroscopy. Blend films were obtained by casting mixed solutions of poly (D-lactide) and poly (L lactide) at various compositions, and stereocomplex was formed at 50/50 composition with molecular weight of 75,000.

}, author = {Selukar, Balaji Sidram and Pandey, Asutosh Kumar and Nande, Smita Sunil and Bansode, Avinash Santram and Garnaik, Baijayantimala} } @article { ISI:000308631300056, title = {Observation of enhanced dielectric coupling and room-temperature ferromagnetism in chemically synthesized BiFeO3@SiO2 core-shell particles}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {36}, year = {2012}, month = {SEP}, pages = {19503-19511}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report the effect of SiO2 coating on the structural, magnetic, and dielectric properties of chemically synthesized high-purity BiFeO3 particles. The assynthesized BiFeO3 particles demonstrate properties comparable with those reported for bulk BiFeO3. On the other hand, the structural measurement on BiFeO3@SiO2 shows that the SiO2 coating has anisotropically compressed the lattice of BiFeO3 particles and stimulates the variation in the electron density. This affects magnetic and dielectric behavior of material. Frequency-dependent dielectric constant study at low temperature (20-325 K) revealed slight reduction (8-10\%) in the dielectric constant of BiFeO3@SiO2 particles compared to uncoated BiFeO3 particles. The study reveals five anomalies at 234, 206, 146, 84, and 25 K located in close proximity to the linear magnetodielectric coupling and spin reorientation transitions. The loss tangent (approximate to 10(-3)) and alternating current (ac) conductivity (approximate to 10(-8) Omega(-1)cm(-1)) of BiFeO3@SiO2 particles are orders of magnitude lower than those observed for the BiFeO3 particles. The magnetic measurement shows the existence of room-temperature ferromagnetism in BiFeO3@SiO2 particles with average value of magnetic moment per Fe atom approximate to 0.030 mu(B) and appreciable coercivity as high as 120 Oe. The canted spin structure in the surface shell of BiFeO3@SiO2 particles show an enhanced magnetic property and shifted hysteresis loop. The magnetic measurement in close proximity to dielectric transitions revealed enhanced magnetization, suggesting the presence of anisotropies. It has been observed that SiO2 coating alters the properties of BiFeO3 particles. Our dielectric and magnetic measurements show enhanced coupling among the electric and magnetic ordered parameters in BiFeO3@SiO2 core-shell particles compared to uncoated BiFeO3 particles. The magnetic and dielectric properties of SiO2-coated BiFeO3 are similar to nanoparticles of BiFeO3 where interface plays a significant role.

}, issn = {1932-7447}, doi = {10.1021/jp3025683}, author = {Shirolkar, Mandar M. and Das, Raja and Maity, Tuhin and Poddar, Pankaj and Kulkarni, Sulabha K.} } @article { ISI:000302164500022, title = {One-Pot method for the selective conversion of hemicellulose from crop waste into C5 sugars and furfural by using solid acid catalysts}, journal = {Chemsuschem}, volume = {5}, number = {4}, year = {2012}, month = {APR}, pages = {751-761}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

We present a solid-acid catalyzed one-pot method for the selective conversion of solid hemicellulose without its separation from other lignocellulosic components, such as cellulose and lignin. The reactions were carried out in aqueous and biphasic media to yield xylose, arabinose, and furfural. To overcome the drawbacks posed by mineral acid methods in converting hemicelllulose, we used heterogeneous catalysts that work at neutral pH. In a batch reactor, these heterogeneous catalysts, such as solid acids (zeolites, clays, metal oxides etc.), resulted in \>90\% conversion of hemicellulose. It has been shown that the selectivity for the products can be tuned by changing the reaction conditions, for example, a reaction carried out in water at 170 degrees C for 1 h with HBeta (Si/Al=19) and HUSY (Si/Al=15) catalysts gave yields of 62 and 56\% for xylose and arabinose, respectively. With increased reaction time (6 h) and in presence of only water, HUSY resulted in yields of 30\% xylose+arabinose and 18\% furfural. However, in a biphasic reaction system (water+p-xylene, 170 degrees C, 6 h) yields of 56\% furfural with 17\% xylose+arabinose could be achieved. It was shown that with the addition of organic solvent the furfural yield could be increased from 18 to 56\%. Under optimized reaction conditions, \>90\% carbon balance was observed. The study revealed that catalysts were recyclable with a 20\% drop in activity for each subsequent run. It was observed that temperature, pressure, reaction time, substrate to catalyst ratio, solvent, and so forth had an effect on product formation. The catalysts were characterized by means of X-ray diffraction, temperature-programmed desorption of NH3, inductively coupled plasma spectroscopy, elemental analysis, and solid-state NMR (Si-29, Al-27) spectroscopy techniques.

}, keywords = {analytical methods, Biomass, carbohydrates, heterogeneous catalysis, zeolites}, issn = {1864-5631}, doi = {10.1002/cssc.201100448}, author = {Sahu, Ramakanta and Dhepe, Paresh Laxmikant} } @article { ISI:000311698800036, title = {One-pot sol-gel preparation for efficient cobalt-molybdenum-titania hydrotreating catalysts}, journal = {Chemcatchem}, volume = {4}, number = {12}, year = {2012}, month = {DEC}, pages = {2112-2120}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Titania-based hydrodesulfurization catalysts were prepared by using a one-pot solgel method with the titanium peroxo complex as titanium precursor and molybdenum and cobalt precursors dissolved in the aqueous hydrogen peroxide solution used during synthesis. Catalysts with MoO3 loadings varying from 5 to 40 wt?\% and a Co/Mo atomic ratio of 0.5 were prepared. Solids with molybdenum loadings below 20 wt?\% MoO3 demonstrated poor hydrodesulfurization activity for the model compound thiophene. This was attributed to the presence of a large amount of embedded cobalt and molybdenum species in the titania matrix. A significant increase in the catalytic activity was observed for solids containing 20 and 25 wt?\% of MoO3 on which active species appeared to be accessible on the titania surface. Furthermore, the highest conversion obtained on these solgel solids was superior to the highest conversion obtained on reference catalysts prepared through the impregnation of ammonium heptamolybdate and cobalt nitrate on commercial titania.

}, keywords = {cobalt, heterogeneous catalysis, Molybdenum, sol-gel process, titanium}, issn = {1867-3880}, doi = {10.1002/cctc.201200165}, author = {Nguyen, D. L. and Gillot, S. and Souza, D. O. and Blanchard, P. and Lamonier, Carole and Berrier, E. and Kotbagi, T. V. and Dongare, Mohan K. and Shubhangi B. Umbarkar and Cristol, S. and Payen, E. and Lancelot, Christine} } @article { ISI:000304129000011, title = {Organocatalytic sequential alpha-amination/corey-chaykovsky reaction of aldehydes: a high yield synthesis of 4-hydroxypyrazolidine derivatives}, journal = {Organic Letters}, volume = {14}, number = {10}, year = {2012}, month = {MAY}, pages = {2468-2471}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A tandem reaction of in situ generated a-amino aldehydes with dimethyloxosulfonium methylide under Corey-Chaykovsky reaction conditions proceeds efficiently to give 4-hydroxypyrazolidine derivatives in high yields with excellent enantio- and diastereoselectivities. This organocatalytic sequential method provides for the efficient synthesis of anti-1,2-aminoalcohols, structural subunits present in several bioactive molecules as well.

}, issn = {1523-7060}, doi = {10.1021/ol300739b}, author = {Kumar, B. Senthil and Venkataramasubramanian, V. and Sudalai, Arumugam} } @article { ISI:000307143600015, title = {Overview on the cellulose based conducting composites}, journal = {Composites Part B-Engineering}, volume = {43}, number = {7, SI}, year = {2012}, month = {OCT}, pages = {2822-2826}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Biopolymer based composites have been employed in numerous applications with increasing interest not only due to renewable, eco-friendly nature, but also because of the flexibility in processing conditions and competitive cost of their end products. The conductive materials from biopolymers have been found applicable in robots, medical imaging, sensitive membranes, actuators, visual displays, electronic wiring and shielding, and components in batteries. Cellulose is one of the most abundant biopolymers in the nature, which has received special attention for development of conducting materials due to biocompatibility for protein and drug immobilization and ability to form the composites with synthetic polymers. The present review is aimed to provide concisely the current status in this field of conducting composites from cellulose, with brief discussions of associated problems and future applications. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Fibres, mechanical properties, Nano-structures, Polymer-matrix composites (PMCs)}, issn = {1359-8368}, doi = {10.1016/j.compositesb.2012.04.045}, author = {Pandey, Jitendra Kumar and Takagi, Hitoshi and Nakagaito, Antonio Norio and Saini, Daulat Ram and Ahn, Sung-Hoon} } @article { ISI:000308866800011, title = {Palladium-catalyzed routes to geranylated or farnesylated phenolic stilbenes: synthesis of pawhuskin C and schweinfurthin J}, journal = {Synthesis-Stuttgart}, volume = {44}, number = {18}, year = {2012}, month = {SEP}, pages = {2895-2902}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Starting from double MOM-protected phloroglucinol, the facile total syntheses of bioactive natural products pawhuskin C and schweinfurthin J were accomplished in good overall yields. The Heck, Stille, or Suzuki coupling reactions of two different electron-rich phenolic segments bearing geranylated or farnesylated units were involved in the decisive step. The Sonogashira coupling reaction followed by palladium-catalyzed chemo-and stereoselective cis-reduction of an alkyne unit and subsequent isomerization to give the desired natural products is also described.

}, keywords = {geranylated or farnesylated stilbenes, Natural products, palladium-catalyzed coupling reactions, phloroglucinol, Total synthesis}, issn = {0039-7881}, doi = {10.1055/s-0032-1316765}, author = {Singh, Mandeep and N. P. Argade} } @article { ISI:000311324100047, title = {Pd-Catalyzed imine cyclization: synthesis of antimalarial natural products aplidiopsamine A, marinoquinoline A, and their potential hybrid NCLite-M1}, journal = {Organic Letters}, volume = {14}, number = {22}, year = {2012}, month = {NOV}, pages = {5804-5807}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Palladium-catalyzed cyclization of imines has been developed to construct the extremely rare 3H-pyrrolo[2,3-c]quinoline ring system for diversity oriented first total synthesis of antimalarial marine natural product Aplidiopsamine A as well as synthesis of Marinoquinoline A and potential natural product hybrid NCLite-M1.

}, issn = {1523-7060}, doi = {10.1021/ol302676v}, author = {Mahajan, Jyoti P. and Suryawanshi, Yogeshwar R. and Mhaske, Santosh B.} } @article { ISI:000299582200011, title = {Pd-catalyzed selective hydrosilylation of aryl ketones and aldehydes}, journal = {Tetrahedron Letters}, volume = {53}, number = {2}, year = {2012}, month = {JAN}, pages = {148-150}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Pd salts in combination with triethylsilane as hydride source and DMF as solvent has been found to be excellent catalytic combination that selectively reduces aryl ketones and aldehydes under mild conditions to afford triethylsilyloxy compounds in excellent yields. Product selectivity to the respective benzyl alcohols can however be achieved when the reaction was performed in DMF/H2O (4:1) as solvent system. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {aldehydes, Hydrosilylation, Ketones, Palladium, Triethylsilane}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2011.10.155}, author = {Chouthaiwale, Pandurang V. and Rawat, Varun and Sudalai, Arumugam} } @article { ISI:000305534600005, title = {Photocatalytic degradation of phosphamidon using Ag-doped ZnO nanorods}, journal = {Toxicological and Environmental Chemistry}, volume = {94}, number = {6}, year = {2012}, month = {JAN}, pages = {1075-1085}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The photocatalytic degradation of the organo-phosphorous pesticide phosphamidon at low concentration in aqueous solution on Ag-doped ZnO nanorods was investigated. Nanosized Ag-doped ZnO rods were synthesized by using a microwave assisted aqueous method. High molecular weight polyvinyl alcohol was used as a stabilizing agent. Composition and structure were investigated using energy-dispersive X-ray spectroscopy (EDAX) and X-ray diffraction (XRD). The XRD pattern reveals that ZnO nanorods are of hexagonal wurtzite structure. The average crystallite size calculated from Scherrer{\textquoteright}s relation was found to be 30 nm. The effects of catalyst loading, pH value, and initial concentration of phosphamidon on the photocatalytic degradation efficiency using Ag-doped ZnO nanorods as a photocatalyst have been discussed. The results revealed that Ag-doped ZnO nanorods with a diameter of 30 nm showed highest photocatalytic activity at a surface density of 1 g dm(-3). The catalyst doped with 0.2 mol\% Ag is effective for the degradation of phosphamidon with visible light. This opens a new possibility to decompose pesticides that are present in wastewater.

}, keywords = {Ag-doped zinc oxide, phosphamidon, Photocatalysis, Photodegradation}, issn = {0277-2248}, doi = {10.1080/02772248.2012.693495}, author = {Korake, Prakash V. and Sridharkrishna, R. and Hankare, P. P. and Garadkar, K. M.} } @article { ISI:000309072800094, title = {Photopatternable nano-composite (SU-8/ZnO) thin films for piezo-electric applications}, journal = {Applied Physics Letters}, volume = {101}, number = {10}, year = {2012}, month = {SEP}, pages = {104102}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Photo-curable nanocomposite material was formulated by embedding ZnO nanoparticles into a SU-8 matrix and studied for its piezoelectric properties for low cost fabrication of self-powered nanodevices. The piezoelectric coefficient of ZnO nanoparticles was observed to be ranging between 15 and 23 pm/V, which is the highest reported. These experimental studies support the recent theoretical predictions where the piezoelectric coefficients in ZnO nanoparticles were found to be higher compared to the thin films because of the surface relaxation induced volume reductions in the nanometer scale. The photo-curable property of these polymer composite films is exploited to demonstrate fabrication of a micro-cantilever test structure. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4748575]

}, issn = {0003-6951}, doi = {10.1063/1.4748575}, author = {Kandpal, Manoj and Sharan, Chandrashekhar and Poddar, Pankaj and Prashanthi, K. and Apte, Prakash R. and Rao, V. Ramgopal} } @article {42516, title = {Photosensitization of nanoparticulate TiO2 using a Re(I)-polypyridyl complex: studies on interfacial electron transfer in the ultrafast time domain}, journal = {Physical Chemistry Chemical Physics}, volume = {14}, year = {2012}, month = {APR}, pages = {8192-8198}, abstract = {

We have synthesized a new photoactive rhenium(I)-complex having a pendant catechol functionality [Re(CO)3Cl(L)] (1) (L is 4-[2-(4'-methyl-2,2'-bipyridinyl-4-yl)vinyl]benzene-1,2-diol) for studying the dynamics of the interfacial electron transfer between nanoparticulate TiO2 and the photoexcited states of this Re(I)-complex using femtosecond transient absorption spectroscopy. Our steady state absorption studies revealed that complex 1 can bind strongly to TiO2 surfaces through the catechol functionality with the formation of a charge transfer (CT) complex, which has been confirmed by the appearance of a new red-shifted CT band. The longer wavelength absorption band for 1, bound to TiO2 through the proposed catecholate functionality, could also be explained based on the DFT calculations. Dynamics of the interfacial electron transfer between 1 and TiO2 nanoparticles was investigated by studying kinetics at various wavelengths in the visible and near infrared regions. Electron injection into the conduction band of the nanoparticulate TiO2 was confirmed by detection of the conduction band electron in TiO2 (Image ID:c2cp24105f-t1.gif) and the cation radical of the adsorbed dye (1˙+) in real time as monitored by transient absorption spectroscopy. A single exponential and pulse-width limited (\<100 fs) electron injection was observed. Back electron transfer dynamics was determined by monitoring the decay kinetics of 1˙+ and Image ID:c2cp24105f-t2.gif.

}, doi = {10.1039/C2CP24105F}, author = {Kar, Prasenjit and Banerjee, Tanmay and Verma, Sandeep and Sen, Anik and Das, Amitava and Ganguly, Bishwajit and Ghosh, Hirendra N.} } @article { ISI:000311783800011, title = {Phyllocladane diterpenes from anisomeles heyneana}, journal = {Journal of Asian Natural Products Research}, volume = {14}, number = {12}, year = {2012}, month = {NOV}, pages = {1162-1168}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

New phyllocladane diterpene, phyllocladan-16 alpha,17-dihydroxy-19-oic acid (1), together with known phyllocladane diterpene, phyllocladan-16 alpha,19-diol (2), cembrane diterpene ovatodiolide (3), sitosteryl-3-O-beta-D-glucoside (4), and verbascoside (5), were isolated from aerial parts of Anisomeles heyneana. The structure of compound 1 was elucidated by 1D and 2D NMR analyses which included HSQC, HMBC, and nuclear overhauser effect spectroscopy (NOESY) experiments as well as X-ray crystallography. This is the first report of phyllocladane diterpenes from genus Anisomeles. Compounds 1, 3, 4, and 5 were evaluated for inhibition of Mycobacterium tuberculosis and 3 was found to exhibit anti-mycobacterial activity with IC90 6.53 mu g/ml. Compounds 1, 3, and 5, at 100 mu g/ml, were also evaluated for inhibition of Thp-1 cell lines, and compounds 1 and 3 showed 59.02\% and 96.4\% inhibitions, respectively.

}, keywords = {Anisomeles heyneana, Lamiaceae, Mycobacterium tuberculosis, phyllocladane diterpenes}, issn = {1028-6020}, doi = {10.1080/10286020.2012.738672}, author = {Kulkarni, Roshan R. and Shurpali, Ketaki and Gawade, Rupesh L. and Sarkar, Dhiman and Puranik, Vedavati G. and Joshi, Swati P.} } @article { ISI:000303366000001, title = {Polymorphs, salts, and cocrystals: what{\textquoteright}s in a name?}, journal = {Crystal Growth \& Design}, volume = {12}, number = {5}, year = {2012}, month = {MAY}, pages = {2147-2152}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The December 2011 release of a draft United States Food and Drug Administration (FDA) guidance concerning regulatory classification of pharmaceutical cocrystals of active pharmaceutical ingredients (APIs) addressed two matters of topical interest to the crystal engineering and pharmaceutical science communities: (1) a proposed definition of cocrystals; (2) a proposed classification of pharmaceutical cocrystals as dissociable {\textquoteleft}{\textquoteleft}API-excipient{\textquoteright}{\textquoteright} molecular complexes. The Indo U.S. Bilateral Meeting sponsored by the Indo-U.S. Science and Technology Forum titled The Evolving Role of Solid State Chemistry in Pharmaceutical Science was held in Manesar near Delhi, India, from February 2-4, 2012. A session of the meeting was devoted to discussion of the FDA guidance draft. The debate generated strong consensus on the need to define cocrystals more broadly and to classify them like salts. It was also concluded that the diversity of API crystal forms makes it difficult to classify solid forms into three categories that are mutually exclusive. This perspective summarizes the discussion in the Indo-U.S. Bilateral Meeting and includes contributions from researchers who were not participants in the meeting.

}, issn = {1528-7483}, doi = {10.1021/cg3002948}, author = {Aitipamula, Srinivasulu and Banerjee, Rahul and Bansal, Arvind K. and Biradha, Kumar and Cheney, Miranda L. and Choudhury, Angshuman Roy and Desiraju, Gautam R. and Dikundwar, Amol G. and Dubey, Ritesh and Duggirala, Nagakiran and Ghogale, Preetam P. and Ghosh, Soumyajit and Goswami, Pramod Kumar and Goud, N. Rajesh and Jetti, Ram R. K. R. and Karpinski, Piotr and Kaushik, Poonam and Kumar, Dinesh and Kumar, Vineet and Moulton, Brian and Mukherjee, Arijit and Mukherjee, Gargi and Myerson, Allan S. and Puri, Vibha and Ramanan, Arunachalam and Rajamannar, T. and Reddy, C. Malla and Rodriguez-Hornedo, Nair and Rogers, Robin D. and Row, T. N. Guru and Sanphui, Palash and Shan, Ning and Shete, Ganesh and Singh, Amit and Sun, Changquan C. and Swift, Jennifer A. and Thaimattam, Ram and Thakur, Tejender S. and Thaper, Rajesh Kumar and Thomas, Sajesh P. and Tothadi, Srinu and Vangala, Venu R. and Variankaval, Narayan and Vishweshwar, Peddy and Weyna, David R. and Zaworotko, Michael J.} } @article { ISI:000306942300059, title = {Polymorphs, salts and cocrystals: what{\textquoteright}s in a name? (vol 12, pg 2147, 2012)}, journal = {Crystal Growth \& Design}, volume = {12}, number = {8}, year = {2012}, month = {AUG}, pages = {4290-4291}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {1528-7483}, doi = {10.1021/cg300704b}, author = {Aitipamula, Srinivasulu and Banerjee, Rahul and Bansal, Arvind K. and Biradha, Kumar and Cheney, Miranda L. and Choudhury, Angshuman Roy and Desiraju, Gautam R. and Dikundwar, Amol G. and Dubey, Ritesh and Duggirala, Nagakiran and Ghogale, Preetam P. and Ghosh, Soumyajit and Goswami, Pramod Kumar and Goud, N. Rajesh and Jetti, Ram R. K. R. and Karpinski, Piotr and Kaushik, Poonam and Kumar, Dinesh and Kumar, Vineet and Moulton, Brian and Mukherjee, Arijit and Mukherjee, Gargi and Myerson, Allan S. and Puri, Vibha and Ramanan, Arunachalam and Rajamannar, T. and Reddy, C. Malla and Rodriguez-Hornedo, Nair and Rogers, Robin D. and Row, T. N. Guru and Sanphui, Palash and Shan, Ning and Shete, Ganesh and Singh, Amit and Sun, Changquan C. and Swift, Jennifer A. and Thaimattam, Ram and Thakur, Tejender S. and Thaper, Rajesh Kumar and Thomas, Sajesh P. and Tothadi, Srinu and Vangala, Venu R. and Vishweshwar, Peddy and Weyna, David R. and Zaworotko, Michael J.} } @article { ISI:000311522500055, title = {Porous ZnO nanorod for targeted delivery of doxorubicin: in vitro and in vivo response for therapeutic applications}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {45}, year = {2012}, month = {DEC}, pages = {24145-24154}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Cancer cell specific targeted delivery (TDD) by porous nanocarrier is on a high role. Here in a simple route for the synthesis of porous ZnO nanorods (ZnO) has been demonstrated. ZnO expressed very high surface area of 305.14 m(2) g(-1) (S-BET) and uniformly distributed pores of 5 nm. In continuation ZnO has been fabricated with 3-aminophosphonic acid followed by folic acid to yield folate conjugated porous ZnO nanorod (ZnO-FA). High surface area, uniformly distributed pores on its surface make the nanocarrier suitable for high drug loading (88\%) of the anticancer drug doxorubicin (DOX). A pH triggered drug release was observed with minimum release in pathophysical conditions. In vitro efficacy of DOX loaded ZnO-FA (ZnO-FA-DOX) has been evaluated against breast cancer cells MDA-MB-231, which is not possible alone by DOX or ZnO-FA. Targeted scaffold with pendant -NH2 group has been covalently bonded with fluorescent dye (RITC) for cellular uptake and imaging studies in MDA-MB-231 cells; the possible pathway for cancer regression has also been evaluated. Even in vivo acute and intravenous toxicological evaluation on murine model system complemented biocompatibility of ZnO-FA in TDD. All together we have collaged a template free synthesis of porous ZnO nanorod, successful targeting on to cancer cells, high drug loading, pH triggered drug release, in vitro efficacy of ZnO-FA-DOX against MDA-MB-231 cells and in vivo compatibility as well. We envisioned the future prospect of porous ZnO nanostructures in TDD.

}, issn = {0959-9428}, doi = {10.1039/c2jm35013k}, author = {Mitra, Shouvik and Subia, B. and Patra, Prasun and Chandra, Sourov and Debnath, Nitai and Das, Sumistha and Banerjee, Rahul and Kundu, Subhas C. and Pramanik, Panchanan and Goswami, Arunava} } @article { ISI:000306324500011, title = {Potential use of nitrate reductase as a biomarker for the identification of active and dormant inhibitors of mycobacterium tuberculosis in a THP1 infection model}, journal = {Journal of Biomolecular Screening}, volume = {17}, number = {7}, year = {2012}, month = {AUG}, pages = {966-973}, publisher = {SAGE PUBLICATIONS INC}, address = {2455 TELLER RD, THOUSAND OAKS, CA 91320 USA}, abstract = {

The development of a macrophage-based, antitubercular high-throughput screening system could expedite discovery programs for identifying novel inhibitors. In this study, the kinetics of nitrate reduction (NR) by Mycobacterium tuberculosis during growth in Thp1 macrophages was found to be almost parallel to viable bacilli count. NR in the culture medium containing 50 mM of nitrate was found to be optimum on the fifth day after infection with M. tuberculosis. The signal-to-noise (S/N) ratio and Z-factor obtained from this macrophage-based assay were 5.4 and 0.965, respectively, which confirms the robustness of the assay protocol. The protocol was further validated by using standard antitubercular inhibitors such as rifampicin, isoniazid, streptomycin, ethambutol, and pyrazinamide, added at their IC90 value, on the day of infection. These inhibitors were not able to kill the bacilli when added to the culture on the fifth day after infection. Interestingly, pentachlorophenol and rifampicin killed the bacilli immediately after addition on the fifth day of infection. Altogether, this assay protocol using M. tuberculosis-infected Thp-1 macrophages provides a novel, cost-efficient, robust, and easy-to-perform screening platform for the identification of both active and hypoxic stage-specific inhibitors against tuberculosis.

}, keywords = {high-throughput screening, inhibitor, Mycobacterium tuberculosis, nitrate reductase, THP1}, issn = {1087-0571}, doi = {10.1177/1087057112445485}, author = {Sarkar, Sampa and Sarkar, Dhiman} } @article { ISI:000300339800033, title = {Practical syntheses of proposed and revised manzacidin B and their congeners}, journal = {Organic Letters}, volume = {14}, number = {4}, year = {2012}, month = {FEB}, pages = {1082-1085}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A concise and highly stereoselective total synthesis of manzacidin B and its congeners has been developed following chelation-controlled syn-epoxidation and Lewis acid catalyzed intramolecular regioselective epoxide ring opening to generate the quarternary amine center. Elaboration of the triol moiety to the target molecule was achieved in good overall yield, representing practical total syntheses of manzacidin B and its congeners. From the XRD, NMR, and analytical data, the correct structure of natural manzacidin B, (4R,5R,6R)-6, was confirmed.

}, issn = {1523-7060}, doi = {10.1021/ol203466m}, author = {Sankar, Kuppusamy and Rahman, Hasibur and Das, Pragna P. and Bhimireddy, Eswar and Sridhar, B. and Mohapatra, Debendra K.} } @article { ISI:000310901200014, title = {Preferential oxidation of CO on Ni/CeO2 catalysts in the presence of excess H-2 and CO2}, journal = {Reaction Kinetics Mechanisms and Catalysis}, volume = {107}, number = {2}, year = {2012}, month = {DEC}, pages = {405-419}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Preferential oxidation of CO (CO-PROX) was carried out over Ni supported on CeO2 prepared by the co-precipitation method. The influence of metal loadings (2.5, 5 and 10 wt.\% Ni) and the reaction conditions such as reaction temperature and feed composition on CO oxidation and oxidation selectivity were evaluated by using dry reformate gas. No other reactions like CO or CO2 methanation, coking, reverse water gas shift (RWGS) reaction is observed in the temperature range of 100-200 A degrees C on these catalysts. Hydrogen oxidation dominates over CO oxidation above the temperature of 200 A degrees C. An increase in oxygen leads to an increase in CO conversion but a simultaneous decrease in the O-2 selectivity. It has been noticed that 5 and 10 \% Ni/CeO2 show better catalytic activity towards CO-PROX reaction. These catalysts were characterized by S-BET, XRD, TEM, XPS and H-2-TPR.

}, keywords = {CeO2, CO-PROX, fuel cells, Methanation, Ni}, issn = {1878-5190}, doi = {10.1007/s11144-012-0477-6}, author = {Malwadkar, Sachin S. and Bera, Parthasarathi and Hegde, M. S. and Satyanarayana, C. V. V.} } @article { ISI:000308099200029, title = {Preparative separation of alpha- and beta-santalenes and (Z)-alpha- and (Z)-beta-santalols using silver nitrate-impregnated silica gel medium pressure liquid chromatography and analysis of sandalwood oil}, journal = {Analyst}, volume = {137}, number = {19}, year = {2012}, month = {MAY}, pages = {4564-4570}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The major sesquiterpene constituents of East-Indian sandalwood oil (Z)-alpha- and (Z)-beta-santalols have shown to be responsible for most of the biological activities and organoleptic properties of sandalwood oil. The work reported here describes the strategic use of medium pressure liquid chromatography (MPLC) for the separation of both alpha- and beta-santalenes and (Z)-alpha- and (Z)-beta-santalols. Silver nitrate impregnated silica gel was used as the stationary phase in MPLC for quantitative separation of alpha- and beta-santalenes and (Z)-alpha- and (Z)-beta-santalols with mobile phases hexane and dichloromethane, respectively. The purities of alpha-santalene and (Z)-alpha-santalol obtained were \>96\%; however, beta-santalene and (Z)-beta-santalol were obtained with their respective inseparable epi-isomers. Limits of quantification (LoQ) relative to the FID detector were measured for important sesquiterpene alcohols of heartwood oil of S. album using serial dilutions of the standard stock solutions and demonstrated that the quality of the commercial sandalwood oil can be assessed for the content of individual sesquiterpene alcohols regulated by Australian Standard (AS2112-2003), International Organization for Standardization ISO 3518: 2002 (E) and European Union (E. U.).

}, issn = {0003-2654}, doi = {10.1039/c2an35575b}, author = {Daramwar, Pankaj P. and Srivastava, Prabhakar Lal and Priyadarshini, Balaraman and Thulasiram, Hirekodathakallu V.} } @article { ISI:000313767800044, title = {Probing the mechanism of baylis-hillman reaction in ionic liquids}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {19}, year = {2012}, month = {OCT}, pages = {8775-8779}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The kinetic data for a Baylis-Hillman reaction in certain ionic liquids possessing ethylsulfate anion [EtSO4](-) demonstrate that the rate determining step (RIDS) is second order in aldehyde, but first order in acrylate and DABCO. This observation is similar to the one made by McQuade et al., who carried out this reaction in an aprotic polar solvent like DMSO. However, this is in contrast to the general observation that ADS is first order in aldehyde, acrylate, and DABCO in organic solvents.

}, issn = {0022-3263}, doi = {10.1021/jo301348k}, author = {Singh, Anshu and Kumar, Anil} } @article { ISI:000298860100004, title = {Proteomic analysis of glycated proteins from streptozotocin-induced diabetic rat kidney}, journal = {Molecular Biotechnology}, volume = {50}, number = {1}, year = {2012}, month = {JAN}, pages = {28-38}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

Glycation of proteins leading to formation of advanced glycation end products (AGEs) has been considered as one of the important causes of diabetic nephropathy. Therefore, in this study, glycated proteins were detected by anti-AGE antibodies from kidney of streptozotocin-induced diabetic rat showing nephropathic symptoms, by using two dimensional electrophoresis and western blot analysis. These glycated proteins were identified and characterized by using combination of peptide mass finger printing and tandem mass spectrometric approaches. Glycated proteins identified included proteins from metabolic pathways, oxidative stress, cell signaling, and transport. Several of the proteins modified by glycation were involved in glucose metabolism. The extent of glycation was higher in diabetes compared to control, in the glycated proteins that were common to both control and diabetic kidney. Two dimensional electrophoresis proteins profiling of glycated proteins suggest that four of the glycated proteins were significantly up regulated in diabetes.

}, keywords = {AGE, Diabetes, Glucose toxicity, Nephropathy, Post-translation modification}, issn = {1073-6085}, doi = {10.1007/s12033-011-9409-3}, author = {Chougale, Ashok D. and Bhat, Shweta P. and Bhujbal, Swapnil V. and Zambare, Mandar R. and Puntambekar, Shraddha and Somani, Rahul S. and Boppana, Ramanamurthy and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article {Poddar, title = {Purification and characterization of an antioxidant protein (similar to 16 kDa) from Terminalia chebula fruit}, journal = {Food Chemistry}, volume = {131}, number = {1}, year = {2012}, month = {MAR}, pages = {141-148}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Terminalia chebula fruit is used as folk medicine in India and Southeast Asia. An antioxidant protein was isolated by bioassay guided fractionation of T. chebula fruit by homogenizing in the citrate phosphate buffer. The isolated protein (TCP-III) obtained from fruit was purified by gel chromatography and preparative HPLC, showed apparent molecular weight of 16 kDa by SDS-PAGE and MALDI-TOF/MS analyses. Amino acid sequence obtained by LC-MSE analysis showed homology with the predicted protein fragments of Populus trichocarpa, putative uncharacterized protein fragments from Oryza sativa and with fragments of 17 kDa thylakoid lumenal protein from Spinacia oleracea. TCP-III exhibited significant radical scavenging in DPPH, NO, H2O2 and ABTS assays. In addition, TCP-III inhibited oxidation of linoleic acid in beta-carotene bleaching assay, reduced ferric ions and chelated ferrous ions. The present finding demonstrates uniquely, for the first time, characterization of an antioxidant protein from T. chebula fruit. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {16 kDa protein molecule of T. chebula, Antioxidant and free radical scavenging activity, Characterization, Purification, Terminalia chebula fruit}, issn = {0308-8146}, doi = {10.1016/j.foodchem.2011.08.048}, author = {Srivastava, Pratibha and Raut, Hema N. and Wagh, Renuka S. and Puntambekar, Hemalata M. and Kulkarni, Mahesh J.} } @article { ISI:000300202400005, title = {Purification and characterization of YxeI, a penicillin acylase from Bacillus subtilis}, journal = {International Journal of Biological Macromolecules}, volume = {50}, number = {1}, year = {2012}, month = {JAN}, pages = {25-30}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The paper reports the purification and characterization of the first penicillin acylase from Bacillus subtilis. YxeI, the protein annotated as hypothetical, coded by the gene yxeI in the open reading frame between iol and hut operons in B. subtilis was cloned and expressed in Eshcherichia coli, purified and characterized. The purified protein showed measurable penicillin acylase activity with penicillin V. The enzyme was a homotetramer of 148 kDa. The apparent Km of the enzyme for penicillin V and the synthetic substrate 2-nitro-5-(phenoxyacetamido)-benzoic acid was 40 mM and 0.63 mM, respectively, and the association constants were 8.93 x 10(2) M-1 and 2.51 x 10(5) M-1, respectively. It was inhibited by cephalosporins and conjugated bile salts, substrates of the closely related bile acid hydrolases. It had good sequence homology with other penicillin V acylases and conjugated bile acid hydrolases, members of the Ntn hydrolase family. The N-terminal nucleophile was a cysteine which is revealed by a simple removal of N-formyl-methionine. The activity of the protein was affected by high temperature, acidic pH and the presence of the denaturant guanidine hydrochloride. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Bacillus subtilis, Conjugated bile acid hydrolases, Ntn hydrolase, Penicillin acylase}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2011.09.018}, author = {Rathinaswamy, Priya and Gaikwad, Sushama M. and Suresh, C. G. and Prabhune, Asmita and Brannigan, James A. and Dodson, Guy G. and Pundle, Archana V.} } @article { ISI:000302639600011, title = {Quantum dot bio-conjugate: as a western blot probe for highly sensitive detection of cellular proteins}, journal = {Journal of Nanoparticle Research}, volume = {14}, number = {3}, year = {2012}, month = {MAR}, pages = {732}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

In the present study, we report a quantum dot (QD)-tailored western blot analysis for a sensitive, rapid and flexible detection of the nuclear and cytoplasmic proteins. Highly luminescent CdTe and (CdTe) ZnS QDs are synthesized by aqueous method. High resolution transmission electron microscopy, Raman spectroscopy, fourier transform infrared spectroscopy, fluorescence spectroscopy and X-ray diffraction are used to characterize the properties of the quantum dots. The QDs are functionalized with antibodies of prostate apoptosis response-4 (Par-4), poly(ADP-ribose) polymerases and beta actin to specifically bind with the proteins localized in the nucleus and cytoplasm of the cells, respectively. The QD-conjugated antibodies are used to overcome the limitations of conventional western blot technique. The sensitivity and rapidity of protein detection in QD-based approach is very high, with detection limits up to 10 pg of protein. In addition, these labels provide the capability of enhanced identification and localization of marker proteins in intact cells by confocal laser scanning microscopy.

}, keywords = {Detection, Imaging, nanomedicine, quantum dot, Rapid, sensors, Western blot}, issn = {1388-0764}, doi = {10.1007/s11051-012-0732-9}, author = {Kale, Sonia and Kale, Anup and Gholap, Haribhau and Rana, Abhimanyu and Desai, Rama and Banpurkar, Arun G. and Ogale, Satishchandra and Shastry, Padma} } @article { ISI:000301128300003, title = {Radical mediated deoxygenation of inositol benzylidene acetals: conformational analysis, DFT calculations, and mechanism}, journal = {Carbohydrate Research}, volume = {351}, year = {2012}, month = {APR}, pages = {26-34}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Xanthates of 1,3-benzylidene acetal derivatives of myo- and neo-inositols undergo dideoxygenation under Barton-McCombie conditions, as a result of intramolecular abstraction of the benzylidene acetal hydrogen and subsequent cleavage of the acetal ring. Scrutiny of structure of these bicyclic inositol derivatives shows that although the conformation of the two rings can vary depending on the configuration of the inositol ring and the phase in which the molecules are present, both the xanthates lead to the formation of the same dideoxyinositol. DFT calculations on these molecular systems suggest that neo-inositol derivatives undergo conformational change prior to radical formation while myo- inositol derivatives undergo conformational change subsequent to radical formation, during the deoxygenation reaction. A low barrier for intramolecular hydrogen transfer supports the extreme facility of this deoxygenation reaction. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Deoxygenation, DFT, Inositol, Mechanism, Radical, Xanthate}, issn = {0008-6215}, doi = {10.1016/j.carres.2012.01.001}, author = {Gurale, Bharat P. and Vanka, Kumar and Shashidhar, Mysore S.} } @article {42511, title = {Rare example of TICT based optical responses for the specific recognition of Cr3+ by a 2,2?:6?,2?-terpyridine derivative and demonstration of multiple logic operations}, journal = {Journal of Physical Chemistry C}, volume = {116}, year = {2012}, month = {JUL}, pages = {17448{\textendash}17457}, abstract = {

Chemosensor L showed a nonlinear fluorescence response on specific binding to Cr3+ ion in the presence of various alkali, alkaline-earth, transition, and lanthanide metal ions. A luminescence band with maxima at 512 nm for L was observed (λext = 330 nm) for a twisted intramolecular charge transfer (TICT) transition following antienergy gap law behavior. However, normal energy gap law behavior prevailed on formation of a new nonluminescent charge transfer complex, Mn+{\textperiodcentered}L. For paramagnetic metal ions, paramagnetism induced luminescence quenching could have also contributed to this. A new switched on fluorescence response at λems of 356 nm (λext of 330 nm) was observed due to Franck{\textendash}Condon charge transfer (FC-CT) transition only on the formation of a complex, (Cr3+)2{\textperiodcentered}L. Spectral studies revealed a unique dynamic coordination behavior and migration of Cr3+ from the terpyridyl fragment to the NNMe2 center of L as a function of the varying concentration of another ion (Zn2+) and the subtle difference in the binding affinities of the terpyridyl moiety toward Cr3+ and Zn2+. Further, spectral responses of L toward Zn2+, different concentration of Cr3+, H+ and on subsequent addition of F{\textendash} as different ionic inputs could be correlated well for demonstrating various basic and combinatorial circuits.

}, doi = {10.1021/jp305780y}, author = {Mahato, Prasenjit and Saha, Sukdeb and Das, Amitava} } @article {42504, title = {Ratiometric detection of Cr3+ and Hg2+ by a naphthalimide-rhodamine based fluorescent probe}, journal = {Inorganic Chemistry}, volume = {51}, year = {2012}, month = {JAN}, pages = {1769{\textendash}1777}, abstract = {

Newly synthesized rhodamine derivatives, L1 and L2, are found to bind specifically to Hg2+ or Cr3+ in presence of large excess of other competing ions with associated changes in their optical and fluorescence spectral behavior. These spectral changes are significant enough in the visible region of the spectrum and thus, allow the visual detection. For L1, the detection limit is even lower than the permissible [Cr3+] or [Hg2+] in drinking water as per standard U.S. EPA norms; while the receptor, L2 could be used as a ratiometric sensor for detection of Cr3+ and Hg2+ based on the resonance energy transfer (RET) process involving the donor naphthalimide and the acceptor Cr3+/Hg2+-bound xanthene fragment. Studies reveal that these two reagents could be used for recognition and sensing of Hg2+/Cr3+. Further, confocal laser microscopic studies confirmed that the reagent L2 could also be used as an imaging probe for detection of uptake of these ions in A431 cells.

}, doi = {10.1021/ic202073q}, author = {Mahato, Prasenjit and Saha, Sukdeb and Suresh, E. and Liddo, Rosa Di and Parnigotto, Pier Paolo and Conconi, Maria Teresa and Kesharwani, Manoj K. and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000303083900011, title = {Reactive polymers bearing styrene pendants through selective anionic polymerization of 4-vinylbenzyl methacrylate}, journal = {Macromolecules}, volume = {45}, number = {8}, year = {2012}, month = {APR}, pages = {3387-3393}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Selective anionic polymerization of 4-vinylbenzyl methacrylate at methacrylate site has been achieved using resonance stabilized anionic initiators such as 1,1-diphenylhexyllithium (DPHLi) and tritylpotassium (TritylK) in tetrahydrofuran (THF) at -78 degrees C. Polymerization proceeded selectively through methacrylate functionality of the monomer in a controlled manner and produced polymers and copolymers with narrow molecular weight distribution at low temperatures (\<=-40 degrees C). H-1 NMR of the polymer showed the presence of styrene pendants in every monomeric repeating unit. The polymerization results confirm that the resonance stabilized carbanions with an optimum pK(a) (30 \<= pK(a) \<= 32) of their conjugate acids such as DPHLi and TritylK do not react with styrene functionality at 78 degrees C. The selective initiation without cross-linking is attributed to the differences in the electronegativity between polar methacrylate and styrene functionalities and an attenuation of initiator reactivity at low temperature. Poly(4-vinylbenzyl methacrylate) and its copolymers with the vinyl pendant in close proximity with ester linkage are very reactive and unstable, readily undergoing cross-linking in solution or in solid state with or without a radical initiator.

}, issn = {0024-9297}, doi = {10.1021/ma202750b}, author = {Mohan, Y. Murali and Raghunadh, V. and Sivaram, S. and Baskaran, D.} } @article {42501, title = {Recognition of Hg 2+ and Cr 3+ in physiological conditions by a rhodamine derivative and its application as a reagent for cell-imaging studies}, journal = {Inorganic Chemistry}, volume = {51}, year = {2012}, month = {DEC}, pages = {336{\textendash}345}, abstract = {

A new rhodamine-based receptor, derivatized with an additional fluorophore (quinoline), was synthesized for selective recognition of Hg2+ and Cr3+ in an acetonitrile/HEPES buffer medium of pH 7.3. This reagent could be used as a dual probe and allowed detection of these two ions by monitoring changes in absorption and the fluorescence spectral pattern. In both instances, the extent of the changes was significant enough to allow visual detection. More importantly, the receptor molecule could be used as an imaging reagent for detection of Hg2+ and Cr3+ uptake in live human cancer cells (MCF7) using laser confocal microscopic studies. Unlike Hg(ClO4)2 or Hg(NO3)2 salts, HgCl2 or HgI2 failed to induce any visually detectable change in color or fluorescence upon interaction with L1 under identical experimental conditions. Presumably, the higher covalent nature of HgII in HgCl2 or HgI2 accounts for its lower acidity and its inability to open up the spirolactam ring of the reagent L1. The issue has been addressed on the basis of the single-crystal X-ray structures of L1{\textperiodcentered}HgX2 (X{\textendash} = Cl{\textendash} or I{\textendash}) and results from other spectral studies.

}, doi = {10.1021/ic2017243}, author = {Saha, Sukdeb and Mahato, Prasenjit and Reddy, Upendar G. and Suresh, E. and Chakrabarty, Arindam and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article {42500, title = {Recognition of Hg2+ion through restricted imine isomerization: crystallographic evidence and imaging in live cells}, journal = {Organic Letters}, volume = {14}, year = {2012}, month = {JUN}, pages = {2980{\textendash}2983}, abstract = {

A newly synthesized imine-based receptor (L) showed remarkable specificity toward the Hg2+ ion in aqueous media over other metal ions. Coordination of L to Hg2+ induces a turn-on fluorescence response. This was explained based on the restricted imine isomerization along with PET on coordination to Hg2+. X-ray structural evidence tends to favor a C{\textendash}C bond rotation rather than C=N isomerization for adopting a favorable conformation in L for coordination to Hg2+. This reagent could be used for imaging the accumulation of Hg2+ ions in HeLa cells.

}, doi = {10.1021/ol3009733}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Das, Priyadip and Suresh, E. and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article {42509, title = {Restricted conformational flexibility of a triphenylamine derivative on the formation of host-guest complexes with various macrocyclic hosts}, journal = {Chemistry a European Journal}, volume = {18}, year = {2012}, month = {MAR}, pages = {3906{\textendash}3917}, abstract = {

Herein, we report the host{\textendash}guest-type complex formation between the host molecules cucurbit[7]uril (CB[7]), β-cyclodextrin (β-CD), and dibenzo[24]crown-8 ether (DB24C8) and a newly synthesized triphenylamine (TPA) derivative 1X3 as the guest component. The host{\textendash}guest complex formation was studied in detail by using 1H NMR, 2D NOESY, UV/Vis fluorescence, and time-resolved emission spectroscopy. The chloride salt of the TPA derivative was used for recognition studies with CB[7] and β-CD in an aqueous medium. The restricted internal rotation of the guest molecule on complex formation with either of these two host molecules was reflected in the enhancement of the emission quantum yield and the average excited-state lifetime for the triphenylamine-based excited states. Studies with DB24C8 as the host molecule were performed in dichloromethane, a medium that maximizes the noncovalent interaction between the host and guest fragments. The F{\"o}rster resonance energy transfer (FRET) process involving DB24C8 and 1(PF6)3, as the donor and acceptor fragments, respectively, was established by electrochemical, steady-state emission, and time-correlated single-photon counting studies.

}, doi = {10.1002/chem.201103079}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Das, Priyadip and Das, Amitava} } @article {42503, title = {Rhodamine-alginate conjugate as self-indicating gel beads for efficient detection and scavenging of Hg 2+ and Cr 3+ in aqueous media}, journal = {Chemical Communications}, volume = {48}, year = {2012}, month = {NOV}, pages = {1659-1661}, abstract = {

Effective extraction of Hg2+ and Cr3+ ions from aqueous media by novel rhodamine{\textendash}alginate polymer-based highly fluorogenic, as well as colorimetric, chemosensor beads.

}, doi = {10.1039/C1CC16554B}, author = {Saha, Sukdeb and Chhatbar, Mahesh U. and Mahato, Prasenjit and Praveen, L. and Siddhanta, A. K. and Das, Amitava} } @article {42712, title = {Ruthenium pincer-catalyzed cross-dehydrogenative coupling of primary alcohols with secondary alcohols under neutral conditions}, journal = {Advanced Synthesis \& Catalysis}, volume = {354}, year = {2012}, month = {SEP}, pages = {2403{\textendash}2406}, abstract = {

Cross-dehydrogenative coupling of primary alcohols with secondary alcohols to obtain mixed esters with the liberation of molecular hydrogen is achieved in high yield and good selectivity under neutral conditions, using a bipyridyl-based PNN ruthenium(II) pincer catalyst.

}, doi = {10.1002/adsc.201200438}, author = {Srimani, Dipankar and Balaraman, Ekambaram and Gnanaprakasam, Boopathy and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000311350000009, title = {Selective oxidation of cyclic olefins over framework Ti-substituted, three-dimensional, mesoporous Ti-SBA-12 and Ti-SBA-16 molecular sieves}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {59-68}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Framework Ti-substituted, three-dimensional, mesoporous titanosilicates, Ti-SBA-12 and Ti-SBA-16, were prepared by direct hydrothermal synthesis method. These catalysts showed catalytic activity higher than the hitherto known titanosilicates for the oxidation of cyclic olefins (cyclohexene and cyclooctene) with tert.-butyl hydroperoxide. An epoxide selectivity of 100\% and olefin conversion greater than 92\% were obtained. Cubic Ti-SBA-16 with interconnected cage-like mesopore structure was more active than hexagonal Ti-SBA-12. X-ray diffraction and diffuse reflectance UV-vis, Fourier transform infrared, Raman and electron paramagnetic resonance spectroscopies provided evidence for the substitution of Ti4+ (for Si4+) in the framework locations. The catalytic activity correlated with the concentration of framework-substituted, tetrahedral Ti4+ ions. Easy accessibility of the active sites and the three-dimensional mesoporous structure are the possible causes for the superior activity of these titanosilicate catalysts. (C) 2012 Elsevier B. V. All rights reserved.

}, keywords = {Epoxidation of cyclic olefins, mesoporous materials, Molecular sieves, Selective oxidation, Ti-SBA-12, Ti-SBA-16, Titanosilicates}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.01.035}, author = {Kumar, Anuj and Srinivas, Darbha} } @article { ISI:000312148500036, title = {Self photostabilizing UV-durable MWCNT/polymer nanocomposites}, journal = {RSC Advances}, volume = {2}, number = {32}, year = {2012}, month = {OCT}, pages = {12255-12262}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A potentially active hindered amine light stabilizer (HALS) was successfully anchored onto multiwalled carbon nanotubes (MWCNTs) and used as a light-stabilizing yet reinforcing multifunctional nanofiller to obtain UV-durable polymer nanocomposites. The influence of such light stabilizing MWCNTs on the photo-oxidation behaviour and structure-properties of polypropylene (PP) was studied. The composites were prepared by solution mixing of MWCNTs followed by melt compounding with polypropylene (PP). The resulting composite exhibits excellent UV-durability showing an almost 20 fold increase in the induction period of photo-oxidation. Moreover, the hydrophobic HALS was found to be compatibilizing enough to achieve homogeneous dispersion of exfoliated nanotubes into a polymer matrix. The rheological characterizations predict the formation of a percolated network structure. The obtained nanocomposites present markedly improved mechanical properties which underline the reinforcing ability of functionalized MWCNTs. Overall combination of HALS and MWCNTs offers an attractive route to combine multifunctionality into new hybrid UV-durable polymer nanocomposites. Such materials may possess great potential for outdoors high performance applications.

}, issn = {2046-2069}, doi = {10.1039/c2ra21583g}, author = {Lonkar, Sunil P. and Kushwaha, Omkar S. and Leuteritz, Andreas and Heinrich, Gert and Singh, R. P.} } @proceedings {43270, title = {Self{\textendash}assembled histidine acid phosphate nanocapsules as templates for multifunctional hollow platinum nanospheres in ionic liquid [BMIM][BF 4 ] for drug delivery}, year = {2012}, month = {JAN}, abstract = {

During the past few decades, the design and fabrication of nano drug delivery vehicle has received considerable attention for incorporating multi-functionality, emphasizing transportation of anticancer drugs to tumour sites. Protein-based nanoparticles hold significant promise in the development of anticancer drug delivery systems since they have remarkable superiority in biocompatibility, biodegradability and natural metabolism in physiologic systems. Ionic liquids (ILs) are a class of solvents that are composed solely of ions (ILs {\textendash} commonly referred as room temperature molten salts or room temperature ionic liquids). They have recently emerged as green solvents or green reaction media, because of their reported unique physico-chemical properties. We report for the first time the controlled self-assembly of Histidine Acid phosphatase (HAP) enzyme in the IL 1-butyl-3-methylimidazolium tetrafluoroborate [BMIM][BF 4 ], leading to the formation of HAP nanocapsules as template for synthesis of platinum nanospheres. These HAP nano-containers were loaded with an anticancer drug curcumin. We further demonstrated in vitro drug release and synergistic anticancer effect of these systems on three different cell lines viz. hepatocellular carcinoma (HepG2), breast cancer (MCF-7) and human acute monocytes (THP-1). The present work can extend our theoretical understanding on nano-bio interfacial molecular self assembly and will facilitate the motivated insights of inorganic/organic hybrid nano-materials/ nano-particles/ nano-objects and ionic liquids based multi functional drug delivery vehicles with synergistic combination chemotherapy for potential application in tumor targeting. INTRODUCTION During the past few decades, the design and fabrication of drug delivery vehicle has received considerable attention for incorporating multi-functionality emphasizing transportation of anticancer drugs to tumour sites. These nano drug delivery vehicles have many advantages including prolonged circulation time of the drugs (Duncan, 2003, Kiick, 2007) , improved drug targeting and solubility (Duncan, 2003, Kiick, 2007), higher payloads (Duncan, 2003) and controlled release of the therapeutics into the blood stream or the targeted tumour tissues (Uhrich et al. 1999, Duncan, 2003).

}, author = {Soni, Sarvesh Kumar and Sarkar, Sampa and Sarkar, Dhiman and Coloe, Peter J. and Bhargava, Suresh Kumar and Bansal, Vipul} } @article { ISI:000309462100003, title = {SHI irradiation induced effects in functionalized MWCNTs}, journal = {Radiation Effects and Defects in Solids}, volume = {167}, number = {8, SI}, year = {2012}, month = {FEB}, pages = {569-576}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Multi-walled carbon nanotubes (MWCNTs) have attracted extensive attention globally due to their applications in modern nanotechnology. It is very important to study the effects on these MWCNTs under swift heavy ion (SHI) irradiation since ion irradiation has been recognized as one of the best tools for nanostructuring of materials, in general. Here, we present the effects of 80MeV Ni ions with a fluence ranging from 3 x 10(12) to 3 x 10(13) ions/cm(2) on functionalized MWCNT mats. The properties of pristine and irradiated samples were studied using X-ray diffraction, Raman spectroscopy and transmission electron microscopy. The effects of SHI irradiation on these samples are discussed in detail.

}, keywords = {CNT, Raman, SHI, TEM}, issn = {1042-0150}, doi = {10.1080/10420150.2012.660939}, author = {Saikiran, V. and Pathak, A. P. and Rao, N. Srinivasa and Devaraju, G. and Debgupta, Joyashish and Kyriakou, I. and Emfietzoglou, D.} } @article { ISI:000315172400021, title = {Significant enhancement of formic acid oxidation using rhodium nanostructures}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {12}, number = {12}, year = {2012}, month = {DEC}, pages = {8994-8998}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

The electrocatalytic activity of as-synthesized shape selective Rh nanostructures has been demonstrated using cyclic voltammetry, revealing unique shape-dependant performance towards HCOOH oxidation. interestingly, the enhancement factor (R) for different shapes of Rh with respect to that of commercial Rh towards formic acid oxidation ranges up to 20,000\% for cubes as compared to 17,500\% for pyramids and 11,000\% for hexagons respectively. Mechanistic pathway for comparatively better sensitivity of cubes as compared to other shapes has been correlated with the results of X-ray diffraction.

}, keywords = {electrocatalysis, Formic Acid Oxidation, Preferential Growth, Rhodium Nanostructures}, issn = {1533-4880}, doi = {10.1166/jnn.2012.6735}, author = {Balan, Beena K. and Sathe, Bhaskar R.} } @article { ISI:000311350000013, title = {Simple one pot synthesis of nano gold-mesoporous silica and its oxidation catalysis}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {92-97}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A simple one pot synthesis strategy using a non ionic triblock copolymer P123 as reducing as well as templating agent has been employed to prepare nano gold particles incorporated in the pores of mesoporous silica catalyst. The catalyst is characterized by XRD, nitrogen adsorption desorption isotherms at 77 K and TEM. The presence of small gold nanopartilces (similar to 2-4 nm) clearly demonstrated that this strategy can be effective in incorporating Au inside mesochannels. The catalyst reduced at 300 degrees C in H-2 was found to be active for oxidation reactions, such as CO oxidation, and benzyl alcohol. (C) 2012 Elsevier B. V. All rights reserved.

}, keywords = {Alcohol oxidation, CO oxidation, Gold catalysis, Mesoporous silica}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.05.053}, author = {Sekhar, A. C. Sunil and Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S. and Vinod, C. P.} } @article { ISI:000301406900030, title = {Simulation of settling of solid particles due to sudden impeller stoppage}, journal = {Industrial \& Engineering Chemistry Research}, volume = {51}, number = {10}, year = {2012}, month = {MAR}, pages = {4112-4118}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Stirred tank reactors (STRs), which are used in process industries (for a variety of operations, such as catalytic reactions, dissolution of a solid, crystallization, and so on), often involve handling of solid liquid (gas) systems. The solid suspension and the quality of the suspension are key issues in the design and operation of such stirred reactors. Despite extensive experimental work over previous decades, comprehensive understanding and reliable methods to predict the solids suspension and the quality of the suspension are not yet available. Advances in computational fluid dynamics (CFD) and new experimental techniques offer potentially effective ways of understanding solids suspension in stirred tanks. The present work highlights the potential of using transient measurements by way of the dynamic settling of solid particles because of the sudden stoppage of an impeller to evaluate CFD models. Sudden impeller stoppage results in significantly different conditions, in terms of the ratio of particle diameter to Kolomogorov length scale (d(p)/lambda), as well as the solids volume fraction experienced by solid particles. Therefore, experimental data under such sudden impeller stoppage offer a better way to evaluate the influence of prevailing turbulence and solids volume fraction on effective drag and therefore offer a more-stringent test to CFD models than steady-state profiles. Besides facilitating the development of computational models, the experimental and simulation studies of sudden impeller stoppage also provide useful data to gain insight into the behavior of the stirred tank after abrupt impeller stoppage due to sudden power failure.

}, issn = {0888-5885}, doi = {10.1021/ie2028987}, author = {Sardeshpande, Madhavi V. and Ranade, Vivek V.} } @article {UGC-New Delhi}, title = {Single crystal X-ray structure of lawsone anion: evidence for coordination of alkali metal ions and formation of naphthosemiquinone radical in basic media}, journal = {Journal of Molecular Structure}, volume = {1010}, number = {3-4}, year = {2012}, month = {FEB}, pages = {38-45}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

2-hydroxy-1,4-naphthoquinone; Lawsone (Lw) is a natural compound found in henna leaves. The reaction of lawsone with {\textquoteleft}Na{\textquoteright} metal (Lw-1), CH3COONa (Lw-2), NaOH (Lw-3), KOH (Lw-4), K2CO3 (Lw-5) and Tris(hydroxymethyl)aminomethane (Lw-6) were studied. Red orange solids obtained for Lw-1 to Lw-6 are characterized by Elemental Analysis, FTIR, (HNMR)-H-1 and EPR studies. The results reveal the coordination of alkali metals {\textquoteleft}Na{\textquoteright} and {\textquoteleft}K{\textquoteright} to lawsone anion. The single crystal X-ray structure of Lw-6 was solved and it crystallizes in triclinic space group P-1 with extensive hydrogen bonding network of C-H center dot center dot center dot O, N-H center dot center dot center dot O and O-H center dot center dot center dot O between cations and anions. Polycrystalline powder X-band EPR spectra of Lw-1 to Lw-5 shows signals similar to 2.004 at 133 K, while Lw-6 is EPR silent. The naphthosemiquinone (NSQ) radical formed in Lw-2 to Lw-5, is due to disproportion reaction of catechol and naphthoquinone. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {2-Hydroxy-1, 4-naphthoquione, EPR, hydrogen bonding, Lawsone, Naphthosemiquinone radicals}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2011.11.015}, author = {Salunke-Gawali, Sunita and Kathawate, Laxmi and Shinde, Yogesh and Puranik, Vedavati G. and Weyhermueller, Thomas} } @article { ISI:000303366000056, title = {Solid-state thermolysis of anion induced metal-organic frameworks to ZnO microparticles with predefined morphologies: facile synthesis and solar cell studies}, journal = {Crystal Growth \& Design}, volume = {12}, number = {5}, year = {2012}, month = {MAY}, pages = {2572-2578}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Simple one-step solid state thermolysis of two Zn-based homochiral metal organic frameworks (MOFs) leads to a dramatic difference in morphologies which depends on the anion (-Cl and -Br) and calcination environment (air and N-2). Rod-shaped (aspect ratio similar to 20), hexagonal column shaped (aspect ratio similar to 3), and elliptical aggregation of ZnO morphologies (aspect ratio similar to 3) are obtained and characterized. Although these two MOFs possess similar rod-shaped morphology, they produce dramatic change in resulting ZnO microparticle morphologies (from rod-shaped ZnO microparticles in the case of thermolysis of MOP 1 to hexagonal column shaped ZnO microparticles in the case of MOF 2 thermolysis) when calcined in N-2 at 800 degrees C. However, when we calcined both MOF 1 and 2 in air, we encountered similar elliptical aggregation of ZnO microparticles. These ZnO microparticles show permanent porosity, visible light emission centered at 605 or 510 nm. Moreover, they show 0.15\% and 0.14\% dye sensitized solar cell activity. To the best of our knowledge, this is the first report of dye sensitized solar cell activity of ZnO microparticles obtained from one-step thermolysis of porous homochiral MOFs.

}, issn = {1528-7483}, doi = {10.1021/cg300174f}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Banerjee, Rahul} } @article { ISI:000300045200031, title = {Solvent induced crystallization of 1,2,3,4(6),5-penta-O-acetyl-6(4)-O-[(1S)-10-camphor sulfonyl]-myo-inositol diastereomers associated via weak trifurcated C-H center dot center dot center dot O interactions}, journal = {CrystEngComm}, volume = {14}, number = {5}, year = {2012}, month = {DEC}, pages = {1716-1722}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The title compound produced three different types of solvent inclusion crystals having a conserved dimeric association via trifurcated C-H center dot center dot center dot O interactions between the diastereomers. These {\textquoteleft}dimeric{\textquoteright} units are organized differently to produce three crystal types containing guest molecules. In type I and II, unit translated dimers created voids for guest inclusion, whereas in type III the guest sites were produced by helical association of dimers. Inclusion of dichloromethane gave two different types of crystals; however, we were unable to obtain unsolvated crystals of the title compound.

}, issn = {1466-8033}, doi = {10.1039/c2ce06287a}, author = {Manoj, Kochunnoonny and Gonnade, Rajesh G. and Shashidhar, Mysore S. and Bhadbhade, Mohan M.} } @article { ISI:000305039700151, title = {Sono-chemical synthesis of ZnO nano-particles and their application in hydrogen sulphide gas sensing}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {12}, number = {3}, year = {2012}, month = {MAR}, pages = {2791-2796}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Herein we describe synthesis of ZnO nanoparticles by using alkaline solution of ZnX2 (X = NO3, Cl) under ultrasound energy of 20 KHz. The reaction can be completed in about 1-2 hours. As prepared powders were analyzed by XRD measurement to find that the product is hexagonal phase pure ZnO. UV-Visible measurement of aq. solution showed absorption band at similar to 365 nm and photoluminescence (PL) indicated multiple bands in visible region due to deep traps owing to high temperature sintering. The hydrophilicity can be imparted by use of a suitable polyelectrolyte. Freshly prepared samples showed good dispersion in aqueous and alcoholic medium. The thick films derived from the ZnO nano-particles showed excellent sensing for hydrogen sulphide gas.

}, keywords = {Gas-Sensing, Sono-Chemical, synthesis, ZnO Nano-Particles}, issn = {1533-4880}, doi = {10.1166/jnn.2012.5732}, author = {Khanna, P. K. and Kate, Kunal and Dhanabalan, K. and Banerjee, Shaibal and Reji, Nedunnkandathil and Shinde, S. D. and Jain, G. H.} } @article { ISI:000311350000002, title = {Special Issue dedicated to Paul Ratnasamy on the occasion of his 70th birthday preface}, journal = {Catalysis Today}, volume = {198}, number = {1, SI}, year = {2012}, month = {DEC}, pages = {1-2}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {0920-5861}, doi = {10.1016/j.cattod.2012.10.011}, author = {Reddy, Benjaram M. and Sivasanker, S. and Ramaswamy, A. V.} } @article { ISI:000298839400032, title = {Strength from weakness: the role of CH center dot center dot center dot N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles}, journal = {Crystengcomm}, volume = {14}, number = {2}, year = {2012}, month = {OCT}, pages = {519-524}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Crystal engineering has succeeded in the design and construction of various architectures such as tapes, ribbons, rosettes, layers etc. Though wavy layer packing is known to occur in crystals, no crystal engineering attempts have been ventured to create wavy layer topology in crystals. Aromatic nitrogen heterocyclics (ANHs) are known to preferentially self assemble in lateral fashion through edge-to-edge CH center dot center dot center dot N hydrogen bonds. Exploiting this preferential lateral assembly of ANHs, we have engineered wavy layer architectures in the crystals of various substituted quinolines.

}, issn = {1466-8033}, doi = {10.1039/c1ce05997a}, author = {Shivakumar, Kota and Vidyasagar, Adiyala and Naidu, Andra and Gonnade, Rajesh G. and Sureshan, Kana M.} } @article { ISI:000309885500028, title = {Strong metal-metal coupling in mixed-valent intermediates [Cl(L)Ru(mu-tppz)Ru(L)Cl](+), L = beta-diketonato ligands, tppz=2,3,5,6-tetrakis(2-pyridyl)pyrazine}, journal = {Dalton Transactions}, volume = {41}, number = {43}, year = {2012}, month = {SEP}, pages = {13429-13440}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Five diruthenium(II) complexes [Cl(L)Ru(mu-tppz)Ru(L)Cl](1-5) containing differently substituted beta-diketonato derivatives (1: L = 2,4-pentanedionato; 2: L = 3,5-heptanedionato; 3: L = 2,2,6,6-tetramethyl-3,5-heptanedionato; 4: L = 3-methyl-2,4-pentanedionato; 5: L = 3-ethyl-2,4-pentanedionato) as ancillary ligands (L) were synthesized and studied by spectroelectrochemistry (UV-Vis-NIR, electron paramagnetic resonance (EPR)). X-ray structural characterisation revealed anti (1, 2, 5) or syn (3) configuration as well as non-planarity of the bis-tridentate tppz bridge and strong d pi(Ru-II) -\> pi*(pyrazine, tppz) back-bonding. The widely separated one-electron oxidation steps, (RuRuII)-Ru-II/(RuRuIII)-Ru-II and (RuRuIII)-Ru-II/(RuRuIII)-Ru-III, result in large comproportionation constants (K-c) of \>= 10(10) for the mixed-valent intermediates. The syn-configurated 3(n) exhibits a particularly high K-c of 10(12) for n = 1+, accompanied by density functional theory (DFT)-calculated minimum Ru-N bond lengths for this (RuRuIII)-Ru-II intermediate. The electrogenerated mixed-valent states 1(+)-5(+) exhibit anisotropic EPR spectra at 110 K with average values \< g \> of 2.304-2.234 and g anisotropies Delta g = g(1)-g(3) of 0.82-0.99. Metal-to-metal charge transfer (MMCT) absorptions occur for 1(+)-5(+) in the NIR region at 1660 nm-1750 nm (epsilon approximate to 2700 dm(3) mol(-1) cm(-1), Delta nu(1/2) approximate to 1800 cm(-1)). DFT calculations of 1(+) and 3(+) yield comparable Mulliken spin densities of about 0.60 for the metal ions, corresponding to valence-delocalised situations (Ru-2.5)(2). Rather large spin densities of about -0.4 were calculated for the tppz bridges in 1(+) and 3(+). The calculated electronic interaction values (V-AB) for 1(+)-5(+) are about 3000 cm(-1), comparable to that for the Creutz-Taube ion at 3185 cm(-1). The DFT calculations predict that the (RuRuIII)-Ru-III forms in 12(+)-52(+) prefer a triplet (S = 1) ground state with Delta E (S = 0 - S = 1) similar to 5000 cm(-1). One-electron reduction takes place at the tppz bridge which results in species [Cl(L)Ru-II(mu-tppz(.-)) Ru-II(L)Cl](-) (1(.-)-3(.-), 5(.-)) which exhibit free radical-type EPR signals and NIR transitions typical of the tppz radical anion. The system 4(n) is distinguished by lability of the Ru-Cl bonds.

}, issn = {1477-9226}, doi = {10.1039/c2dt31763j}, author = {Kundu, Tanaya and Schweinfurth, David and Sarkar, Biprajit and Mondal, Tapan Kumar and Fiedler, Jan and Mobin, Shaikh M. and Puranik, Vedavati G. and Kaim, Wolfgang and Lahiri, Goutam Kumar} } @article { ISI:000306215900061, title = {Structure engineering of naphthalene diimides for improved charge carrier mobility: self-assembly by hydrogen bonding, good or bad?}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {30}, year = {2012}, month = {MAY}, pages = {15235-15246}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two families of naphthalene diimide (NDI) derivatives were compared and contrasted for the effect of self-assembly on charge carrier transport. One series of NDI derivatives had a terminal phenyl ring attached to a hexyl spacer substituted naphthalene core either through an ester or an amide linkage (NDI-E and NDI-A, respectively), while the other series had a 3,4,5-tridodecyloxy phenyl unit (NDI-E3, NDI-A3) instead of the terminal phenyl unit. Solution processed thin films of these molecules exhibited n-type charge transport characteristics in a bottom gate top contact organic field effect transistor (OFET) geometry. The amide derivatives showed evidence of self-organization with observation of red shifted aggregate emission in solution as well as solid state. Variable temperature FTIR studies in the solid state confirmed the existence of strong hydrogen bonding which could be broken only at very high temperature. However, contrary to expectations, the NDI ester derivatives showed better device efficiency with electron mobilities in the range 8.5 x 10(-3) to 2 x 10(-2) cm(2) V-1 s(-1) and on/off ratio similar to 10(4). The thin film crystallinity and morphology of NDI-E and NDI-A were examined through X-ray diffraction and atomic force microscopy (AFM). The correlation of crystallinity, hydrogen bonding and charge carrier mobility was studied using energy minimized structures from density functional theory (DFT). The higher electron mobility of ester linked NDI derivatives over the amide linked ones was attributed to the freedom in charge transport pathways offered by a three dimensional crystalline organization in the ester compared to the restricted directional hydrogen bonding interaction in the amide derivatives.

}, issn = {0959-9428}, doi = {10.1039/c2jm32554c}, author = {Kolhe, Nagesh B. and Devi, R. Nandini and Senanayak, Satyaprasad P. and Jancy, B. and Narayan, K. S. and Asha, S. K.} } @article { ISI:000309645000013, title = {Studies on the resistive response of nickel and cerium doped SnO2 thick films to acetone vapor}, journal = {Ceramics International}, volume = {38}, number = {8}, year = {2012}, month = {DEC}, pages = {6171-6179}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Undoped and Ni, Ce-doped nanocrystalline tin oxide were synthesized by co-precipitation route. Doped as well as undoped SnO2 compositions revealed single phase structure without any impurity. The lattice constant of SnO2 increases and the grain size decreases with doping of Ni and Ce. The responses of the sensing elements are evaluated by measuring the resistance change upon exposure to various test gases such as liquid petroleum gas (LPG), acetone, ethanol and ammonia. In comparison to LPG, ethanol, and ammonia the response towards acetone vapor increases markedly on simultaneous doping of Ni and Ce. For acetone vapors with 500 ppm at 300 degrees C, the undoped SnO2 shows 31\% response, while with individual Ni or Ce doping it increases to 38 and 60\%, respectively, however with simultaneous doping of Ni and Ce there is a significant enhancement up to 92\%. The results of gas sensing measurements reveal that the thick films deposited on alumina substrates using screen printing technique give selectively a high response of (87\%) with fast recovery (similar to 1 min) towards 100 ppm acetone at 300 degrees C. (c) 2012 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {(Ni plus Ce)-doping, Acetone vapor, Screen-printing, SnO2}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2012.04.068}, author = {Bagal, L. K. and Patil, J. Y. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000304851500040, title = {Sugar-amino acid cyclic conjugates as novel conformationally constrained hydroxyethylamine transition-state isosteres}, journal = {Tetrahedron Letters}, volume = {53}, number = {26}, year = {2012}, month = {JUN}, pages = {3361-3363}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Hydroxyethylamine (HEA) isosteres have previously been shown to display a multitude of biomedical applications. In fact, the first protease inhibitor, saquinavir is an HEA based peptidomimetic. Herein we describe an easy-to-operate synthetic route to a series of carbohydrate-based conformationally constrained hydroxyethylamine (HEA) isosteres featuring amino acid side chains, starting from D-glucose. This class of novel sugar-amino acid-tethered conformationally restricted HEA systems may have bearing in practical application, particularly in the development of conformationally restricted protease inhibitors. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Conformationally constrained, D-Glucose, hydroxyethylamine isosteres, protease inhibitor, Reductive amination}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.04.086}, author = {Roy, Arup and Sanjayan, Gangadhar J.} } @article { ISI:000301098700068, title = {Syntheses, crystal structures, and magnetic properties of metal-organic hybrid materials of Co(II) using flexible and rigid nitrogen-based ditopic ligands as spacers}, journal = {Crystal Growth \& Design}, volume = {12}, number = {3}, year = {2012}, month = {MAR}, pages = {1571-1578}, abstract = {

{A carboxylate-based flexible ligand, 5-(4-carboxybenzyloxy)isophthalic acid (p-cbiaH(3)), readily reacts with Co(II) salts in the presence of different pyridine-based coligands such as 4-bis(4-pyridinylmethyl)piperazine (bpmp) or 1,2-di(4-pyridyl)ethylene (dpe) under hydrothermal conditions to afford two different three-dimensional (3D) coordination polymers, {[Co-4(OH)(2)(p-cbia)(2)(bpmp)-(H2O)(3)]center dot 2H(2)O}(n) (1) and {[Co-4(OH)(2)(p-cbia)(2)(dpe)(H2O)(4)]center dot 2H(2)O\

}, author = {Ahmad, Musheer and Sharma, Mamsh K. and Das, Raja and Poddar, Pankai and Bharadwaj, Parimal K.} } @article { ISI:000303086200012, title = {Synthesis and antifungal activity of 1,5-disubstituted-1,2,3-triazole containing fluconazole analogues}, journal = {Medchemcomm}, volume = {3}, number = {4}, year = {2012}, month = {APR}, pages = {484-488}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Fluconazole based novel mimics containing 1,5-disubstituted 1,2,3-triazoles were synthesized by using Ru catalysed 1,3 dipolar cycloaddition. All the newly synthesized compounds and pure enantiomers were more potent than fluconazole against Candida albicans. Docking of 9A and 9B showed different conformation in the active site of Cyp51 of Candida albicans. The more active compounds 2 and 2A did not exhibit any toxicity up to 3.12 mu g mL(-1) against mammalian cell line L929.

}, issn = {2040-2503}, doi = {10.1039/c2md00205a}, author = {Pore, Vandana S. and Jagtap, Manisha A. and Agalave, Sandip G. and Pandey, Atindra K. and Siddiqi, Mohammad I. and Kumar, Vikash and Shukla, Praveen K.} } @article { ISI:000307390600009, title = {Synthesis and characterization of a new diol-functionalized s-triazine-based polymerizable hindered amine light stabilizer}, journal = {Journal of Vinyl \& Additive Technology}, volume = {18}, number = {3}, year = {2012}, month = {SEP}, pages = {204-208}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A new diol-functionalized triazine-based polymerizable hindered amine light stabilizer (HALS) was synthesized in two steps. First, selective synthesis of an s-triazine containing two HALS moieties as substituents was accomplished by using phase-transfer catalysis. This step required the establishment of optimum reaction conditions (type of two-phase system, best solvent, and catalyst). In the second step, the substituted triazine was treated with diethanolamine to introduce polymerizable diol functionality. The resulting product should act as a light stabilizer, since it contains two HALS moieties anchored to a thermally stable s-triazine unit. Moreover, incorporation of the diol into a polymeric material might be expected to impart prolonged stability in weathering environments. Characterization of the diol was accomplished by using Fourier transform infrared spectroscopy (FTIR), {\textquoteleft}H NMR, and mass spectrometry. J. VINYL ADDIT. TECHNOL., 18:204208, 2012. (c) 2012 Society of Plastics Engineers

}, issn = {1083-5601}, doi = {10.1002/vnl.20306}, author = {Mehare, Rupali S. and Lonkar, Sunil P. and Singh, R. P.} } @article { ISI:000303442500017, title = {Synthesis of functional hybrid silica scaffolds with controllable hierarchical porosity by dynamic templating}, journal = {Chemical Communications}, volume = {48}, number = {43}, year = {2012}, month = {MAR}, pages = {5292-5294}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a facile one-pot synthesis of hierarchically porous scaffolds, with independent control over nanoparticle mesoporosity and scaffold macroporosity. Our technique combines the chemistry of mesoporous silica nanoparticles with the control afforded by dynamic templating of surfactant mesophases. These materials are readily functionalizable and allow controllable spatial variation in macroporosity.

}, issn = {1359-7345}, doi = {10.1039/c2cc30885a}, author = {Ganai, Anal Kumar and Kumari, Sushma and Sharma, Kamendra P. and Panda, Chakadola and Kumaraswamy, Guruswamy and Sen Gupta, Sayam} } @article {42647, title = {Synthesis of linear polylactic acid {\textendash}based urethanes using tin modified closite -30b catalyst}, journal = {Advance Material Letters}, volume = {3}, year = {2012}, month = {JAN}, pages = {161 - 171}, author = {Selukar, Balaji S. and Parwe, Sharad P. and Mohite, Kavita K. and Garnaik, Baijayantimala} } @article { ISI:000306049900037, title = {Synthesis of the aminocyclitol units of (-)-hygromycin a and methoxyhygromycin from myo-inositol}, journal = {Journal of Organic Chemistry}, volume = {77}, number = {13}, year = {2012}, month = {JUL}, pages = {5801-5807}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Concise and efficient syntheses of the aminocyclitol cores of hygromycin A (HMA) and methoxyhygromycin (MHM) have been achieved starting from readily available myo-inositol. Reductive cleavage of myo-inositol orthoformate to the corresponding 1,3-acetal, stereospecific introduction of the amino group via the azide, and resolution of a racemic cyclitol derivative as its diastereomeric mandelate esters are the key steps in the synthesis. Synthesis of the aminocyclitol core of hygromycin A involved chromatography in half of the total number of steps, and the aminocyclitol core of methoxyhygromycin involved only one chromatography.

}, issn = {0022-3263}, doi = {10.1021/jo300444b}, author = {Gurale, Bharat P. and Shashidhar, Mysore S. and Gonnade, Rajesh G.} } @article { ISI:000302902200025, title = {Synthesis, spectroscopy, and electrochemical investigation of new conjugated polymers containing thiophene and 1,3,4-thiadiazole in the main chain}, journal = {Journal of Applied Polymer Science}, volume = {125}, number = {3}, year = {2012}, month = {AUG}, pages = {1882-1889}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

Novel photoluminescent donoracceptor poly(p-phenylenevinylene)-type conjugated polymers containing thiophene and 1,3,4-thiadiazole units in the main chain were synthesized from 2,5-bis(5-bromomethyl-2-thienyl)-1,3,4-thiadiazole and 1,3/1,4-benzenedialdehyde by WittigHorner reaction. The synthesized polymers were characterized by the use of thermal analysis and spectroscopic (infrared, UV-visible absorption, and photoluminescence) measurement. The resultant material exhibited bluish green, green, and orange fluorescence in their solution and thin film and solid forms, respectively. The redox property of the polymers has also been studied by cyclic voltammetry. The optical and electrochemical studies reveal that these novel polymers are new promising materials for the development of efficient polymer light-emitting diodes. (c) 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012

}, keywords = {conjugated polymers, photoluminescence, thiophene and thiadiazole-containing polymer}, issn = {0021-8995}, doi = {10.1002/app.36238}, author = {Patil, Prashant S. and Haram, Nanda S. and Pal, Ravindra R. and Periasamy, N. and Wadgaonkar, Prakash P. and Salunkhe, Manikrao M.} } @article { ISI:000312003800010, title = {Synthetic studies towards NG-121: diastereoselective synthesis of NG-121 methyl ether}, journal = {Synthesis-Stuttgart}, volume = {44}, number = {24}, year = {2012}, month = {DEC}, pages = {3797-3804}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Starting from unsymmetrically O-protected methyl 4-bromo-3,5-dihydroxybenzoate, a facile synthesis of the methyl ether of bioactive natural product NG-121 was accomplished in very good overall yield. The key steps were: Stille coupling reaction of the farnesyl unit with the electron-rich phenolic segment; hydroxy-directed selective epoxidation of the farnesyl chain along with concomitant phenol-driven intramolecular regio- and diastereoselective ring closure to the corresponding hydroxybenzopyran; and regioselective formylation followed by in situ reductive lactonization.

}, keywords = {4-bromo-3, 5-dihydroxybenzoate, formylation, intramolecular cyclization, lactonization, NG-121 methyl ether, Stille coupling}, issn = {0039-7881}, doi = {10.1055/s-0032-1317544}, author = {Singh, Mandeep and N. P. Argade} } @article {43253, title = {TDR Targets: a chemogenomics resource for neglected diseases}, journal = {Nucleic Acids Research}, volume = {40}, year = {2012}, month = {JAN}, pages = {D1118-D1127}, abstract = {The TDR Targets Database (http://tdrtargets.org) has been designed and developed as an online resource to facilitate the rapid identification and prioritization of molecular targets for drug development, focusing on pathogens responsible for neglected human diseases. The database integrates pathogen specific genomic information with functional data (e.g. expression, phylogeny, essentiality) for genes collected from various sources, including literature curation. This information can be browsed and queried using an extensive web interface with functionalities for combining, saving, exporting and sharing the query results. Target genes can be ranked and prioritized using numerical weights assigned to the criteria used for querying. In this report we describe recent updates to the TDR Targets database, including the addition of new genomes (specifically helminths), and integration of chemical structure, property and bioactivity information for biological ligands, drugs and inhibitors and cheminformatic tools for querying and visualizing these chemical data. These changes greatly facilitate exploration of linkages (both known and predicted) between genes and small molecules, yielding insight into whether particular proteins may be druggable, effectively allowing the navigation of chemical space in a genomics context.}, doi = {10.1093/nar/gkr1053}, author = {Magarinos, Maria P. and Carmona, Santiago J. and Crowther, Gregory J. and Ralph, Stuart A. and Roos, David S. and Shanmugam, Dhanasekaran and Van Voorhis, Wesley C.} } @article { ISI:000310567800027, title = {Theoretical study of frequency and temperature dependence of dipole-quadrupole polarizability of P-4 and adamantane}, journal = {Chemical Physics Letters}, volume = {552}, year = {2012}, month = {NOV}, pages = {146-150}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The frequency and temperature dependence of dipole-quadrupole polarizability of tetrahedral P-4 and adamantane molecules have been studied using first-principle all-electron density functional theory calculation. The recently developed time-dependent auxiliary density functional theory is extended for the calculation of dynamic dipole-quadrupole polarizabilities. Temperature effects are incorporated by Born-Oppenheimer molecular dynamics (BOMD) simulations recorded up to 100 ps. The dynamic dipole-quadrupole polarizabilities are calculated along these trajectories. The frequency and temperature effects can be significant for the accurate calculation of dipole-quadrupole polarizability. We have also identified the main reason for the observed discrepancy between experiment and theory in the case of adamantane. (c) 2012 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2012.09.045}, author = {Shedge, Sapana V. and Pal, Sourav and Koester, Andreas M.} } @article { ISI:000308976200010, title = {Thermal expansion properties of stannosilicate molecular sieve with MFI type structure}, journal = {Chemical Physics Letters}, volume = {548}, year = {2012}, month = {OCT}, pages = {51-54}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An in situ high temperature X-ray diffraction study was carried out for investigating the thermal expansion properties of Si-MFI and SnSi-MFI molecular sieves. The thermal stability up to 973 K and a negative lattice thermal expansion in anisotropic manner was exhibited by both the phases in the temperature range of 373-973 K. The trend observed in contraction along the axes was as: a \> c \> b. The substitution of Sn4+ in MFI framework resulted in an expansion of unit cell volume and in an increase in the lattice thermal expansion coefficient in the temperature range 423-973 K. (C) 2012 Elsevier B. V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2012.08.023}, author = {Niphadkar, P. S. and Bhange, Deu S. and Selvaraj, K. and Joshi, P. N.} } @article { ISI:000307387100024, title = {Thermal, mechanical, and rheological characterization of polypropylene/layered double hydroxide nanocomposites}, journal = {Polymer Engineering and Science}, volume = {52}, number = {9}, year = {2012}, month = {SEP}, pages = {2006-2014}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Polypropylene (PP)/organomodified layered double hydroxide (LDH) nanocomposites were prepared in order to examine the influence of LDH content on thermal, mechanical, and rheological properties. The nanostructure examinations by X-ray diffraction (XRD) and transmission electron microscopy (TEM) confirmed the exfoliated/intercalated dispersion of LDH. Incorporation of the LDH resulted in a noteworthy improvement in the thermal stability of PP. It was shown that the addition of LDH contributed to the reinforcement effect by increasing the elastic modulus. The mechanical performance, as evaluated by stressstrain curves, reveal that PP/LDH hybrid materials showed significant contribution toward increment in elastic modulus, tensile strength but at the expense of impact strength. The rheological response showed a strong influence of LDH particles on the flow behavior of the PP/LDH melt which resulted in enhancement of storage, loss of moduli, and complex viscosity of nanocomposites. Therefore, the nanocomposites have higher moduli but better processibility compared with pure PP. Overall, the results indicated that the LDH particles in nanometer size might act as potential reinforcing agent for polypropylene. POLYM. ENG. SCI., 52:20062014, 2012. (c) 2012 Society of Plastics Engineers

}, issn = {0032-3888}, doi = {10.1002/pen.23147}, author = {Lonkar, Sunil P. and Therias, Sandrine and Leroux, Fabrice and Gardette, Jean Luc and Singh, Raj Pal} } @article { ISI:000303158300021, title = {Topochemical click reaction: spontaneous self-stitching of a monosaccharide to linear oligomers through lattice-controlled azide-alkyne cycloaddition}, journal = {Angewandte Chemie-International Edition}, volume = {51}, number = {18}, year = {2012}, month = {APR}, pages = {4362-4366}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {Click chemistry, green chemistry, polymerization, pseudosugars, topochemistry}, issn = {1433-7851}, doi = {10.1002/anie.201201023}, author = {Pathigoolla, Atchutarao and Gonnade, Rajesh G. and Sureshan, Kana M.} } @article { ISI:000299584400070, title = {Toward a quantitative correlation between microstructure and DSSC efficiency: a case study of TiO2-xNx nanoparticles in a disordered mesoporous framework}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {3, SI}, year = {2012}, month = {JAN}, pages = {2581-2587}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The efficiency (eta) of a dye-sensitized solar cell (DSSC) depends on various parameters, the critical factors being a fast charge carrier transport and a slow rate of electron-hole recombination. The present article describes a simple combustion synthesis method to prepare TiO2-xNx with following four important features that directly influences eta: (1) a disordered mesoporous structural framework with high surface area to give high dye-loading and a small diffusion length for charge carriers allowing rapid movement to the surface; (2) electrically interconnected nanocrystalline TiO2-xNx particles with good necking and predominant (101) anatase facets to minimize electron-hole recombination; (3) low charge storage capacity in the titania framework; and (4) surface unsaturation assisting all the above factors. The pseudo-three-dimensional nature of mesoporous TiO2-xNx with the above features demonstrates the importance of textural features, and porosity allows faster diffusion of charge carriers to surface and their utilization to generate power. A quantitative correlation between interconnected nanoparticles over larger distances in a mesoporous framework and eta is demonstrated. This study also demonstrates an inexpensive and rapid method of producing the photoanode material with high eta in about 10 min.

}, issn = {1932-7447}, doi = {10.1021/jp210677d}, author = {Sivaranjani, Kumarsrinivasan and Agarkar, Shruti A. and Ogale, Satishchandra B. and Gopinath, Chinnakonda S.} } @article { ISI:000300041700017, title = {Towards biodegradable elastomers: green synthesis of carbohydrate functionalized styrene-butadiene-styrene copolymer by click chemistry}, journal = {Green Chemistry}, volume = {14}, number = {2}, year = {2012}, month = {DEC}, pages = {348-356}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Random attachment of sugar molecules to synthetic polymers is an important strategy to induce biodegradability in these polymers. The present study successfully employs {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry to introduce low levels of sugar molecules onto styrene-butadiene-styrene (SBS) copolymer, a widely used commodity polymer which is not biodegradable. Spectral, morphological and thermal studies of the modified polymers were carried out to show the dramatic changes in the properties of these modified polymers. Thermal stability of glucose linked SBS had onset of degradation at 428 degrees C, down from 478 degrees C observed for SBS. Morphology studied by WAXRD and SEM showed destructuring of the polymer domains of SBS, which is beneficial for biodegradation of these polymers. Previous studies showed that sugars anchored by hydrolysable ester groups onto polystyrene were biodegradable; current studies show that sugars anchored by unhydrolyzable C-C bonds on the butadiene component of SBS copolymer are also significantly biodegradable.

}, issn = {1463-9262}, doi = {10.1039/c1gc16146f}, author = {Singh, Rakesh and Varma, Anjanikumar} } @article { ISI:000305379000012, title = {Transformation of (+/-)-lavandulol and (+/-)-tetrahydrolavandulol by a fungal strain Rhizopus oryzae}, journal = {Bioresource Technology}, volume = {115}, year = {2012}, month = {JUL}, pages = {70-74}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Biotransformation of an irregular monoterpene alcohol, (+/-)-lavandulol [(+/-)-5-methyl-2-(1-methylethenyl)-4-hexen-1-ol] (I) and its tetrahydro derivative, (+/-)-tetrahydrolavandulol [(+/-)-2-isopropyl-5-methylhexan-1-ol] (II) were studied using a soil isolated fungal strain Rhizopus oryzae. Five metabolites, 2-((3,3-dimethyloxiran-2-yl)methyl)-3-methylbut-3-en-1-ol (Ia), 2-methyl-5-(prop-1-en-2-yl)hex-2ene-1,6-diol (Ib), 2-methyl-5-(prop-1-en-2-yl)hexane-1,6-diol (Ic), 2-(3-methylbut-2-enyl)-3-methylenebutane-1,4-diol (Id), 5-methyl-2-(2-methyloxiran-2-yl)hex-4-en-1-01 (Ie) have been isolated from the fermentation medium and characterized with lavandulol as a substrate. When tetrahydrolavandulol used as a substrate, two metabolites 2-isopropyl-5-methylhexane-1,5-diol (IIa) and 2-isopentyl-3-methylbutane-1,3-diol (lib) have been isolated from the fermentation medium. Biotransformation studies with R. oryzae clearly indicate that the organism initiates the transformation either by hydroxylation at allylic methyl groups or epoxidation of double bond. GC and GCMS analyses indicated that both (R)and (S)-enantiomers of I and II have been transformed into corresponding hydroxylated or epoxy derivatives, when racemic I and II were used as substrates. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Biotransformation, Fungus, Lavandulol, Rhizopus oryzae, Tetrahydrolavandulol}, issn = {0960-8524}, doi = {10.1016/j.biortech.2011.11.038}, author = {Daramwar, Pankaj P. and Rincy, Raju and Niloferjahan, Siddiqui and Krithika, Ramakrishnan and Gulati, Arvind and Yadav, Amit and Sharma, Rakesh and Thulasiram, Hirekodathakallu V.} } @article { ISI:000299158700036, title = {Tuberculosis drug streptomycin as a potential cancer therapeutic: inhibition of miR-21 function by directly targeting its precursor}, journal = {Angewandte Chemie-International Edition}, volume = {51}, number = {4}, year = {2012}, month = {DEC}, pages = {1019-1023}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, keywords = {Apoptosis, drug discovery, Gene expression, inhibitors, RNA}, issn = {1433-7851}, doi = {10.1002/anie.201106455}, author = {Bose, Debojit and Jayaraj, Gopal Gunanathan and Suryawanshi, Hemant and Agarwala, Prachi and Pore, Subrata Kumar and Banerjee, Rajkumar and Maiti, Souvik} } @article { ISI:000304913100024, title = {Ultra-low level optical detection of mercuric ions using biogenic gold nanotriangles}, journal = {Analyst}, volume = {137}, number = {13}, year = {2012}, month = {APR}, pages = {3083-3090}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Mercury is a serious environmental pollutant known to have detrimental health effects in all life forms. Here, we report the use of biologically synthesized aqueous gold nanotriangles for sensitive and selective optical detection of femto-molar levels of mercury ions by exploiting the high amalgamation tendency of mercury metal towards gold. Aqueous chloroaurate ions were reduced using lemongrass (Cymbopogon flexuosus) leaf extract at room temperature to form gold nanotriangles. Mercuric (Hg2+) ions were reduced in the presence of these triangles to facilitate amalgamation and the optical properties were monitored. We observe a significant change in the longitudinal plasmon absorption band of the nanotriangles even at femto-molar concentrations of mercuric ions. High-resolution transmission electron microscopy confirms changes in particle morphology at such low concentrations. This protocol shows no sensitivity to other environmentally relevant metal ions, including Pb2+, Zn2+, Cd2+, Fe2+, Ni2+, Sr2+, Ca2+, Mn2+, and Cu2+, confirming further that change in the optical properties of gold nanotriangles in the presence of reduced mercuric ions is solely due to the strong amalgamation tendency of mercury metal.

}, issn = {0003-2654}, doi = {10.1039/c2an35162e}, author = {Singh, Amit and Pasrichax, Renu and Sastry, Murali} } @article { ISI:000299584800014, title = {Ultrasmall gold cluster arrays encapsulated in silica nanospheres: applications in fluorescence imaging and catalysis}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {2}, year = {2012}, month = {JAN}, pages = {1748-1754}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Facile synthesis of ultrasmall gold nanoclusters of size \<2 nm dispersible in water using a novel quaternary ammonium ligand is reported. Further, arrays of these nanoclusters are encapsulated in monodisperse silica nanospheres of size 25-30 nm. The photophysical characteristics of the clusters are found to be intact upon encapsulation, rendering the resulting composite material ideal for fluorescence imaging applications. We have further shown the utilization of these materials in catalysis as precursors for Au nanopartides encapsulated in porous silica.

}, issn = {1932-7447}, doi = {10.1021/jp2093737}, author = {Samanta, Anupam and Dhar, Basab B. and Devi, R. Nandini} } @article { ISI:000295772200014, title = {Ultrasound assisted one pot synthesis of imidazole derivatives using diethyl bromophosphate as an oxidant}, journal = {Ultrasonics Sonochemistry}, volume = {19}, number = {1}, year = {2012}, month = {JAN}, pages = {94-96}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A one pot, three-component condensation of benzoin/benzyl, an aldehyde, and ammonium acetate using diethyl bromophosphate as a mild oxidant is achieved to form trisubstituted imidazole compounds. Under ultrasound irradiation, a smooth condensation occurs to get the 2, 4, 5-triaryl-1H-imidazole compounds in good to excellent yields. The study explores the scope and limitation of diethyl bromophosphate as an oxidant and suggests advantages, viz., simplicity of operation, reduction in time, and an increase in product yields. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {Diethyl bromophosphate (DEP), Imidazole, One pot synthesis, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2011.05.009}, author = {Nagargoje, Deepak and Mandhane, Priyanka and Shingote, Savita and Badadhe, Pravin and Gill, Charansingh H.} } @article { ISI:000308414500020, title = {Unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone}, journal = {Chemical Communications}, volume = {48}, number = {78}, year = {2012}, month = {AUG}, pages = {9747-9749}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two folded peptides featuring carboxamide and sulfonamide at the core of the peptide fold have been shown to possess almost similar conformational features, despite the well-known fact that carboxamides and sulfonamides have strikingly different hydrogen-bonding and geometrical preferences.

}, issn = {1359-7345}, doi = {10.1039/c2cc34533a}, author = {Vijayadas, Kuruppanthara N. and Davis, Hilda C. and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article {Das, title = {Variable water adsorption in amino acid derivative based homochiral metal organic frameworks}, journal = {Crystal Growth \& Design}, volume = {12}, number = {9}, year = {2012}, month = {SEP}, pages = {4633-4640}, abstract = {

{Six new Cd-containing homochiral metal organic framework materials [

}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Banerjee, Rahul} } @article { ISI:000310721400015, title = {Vertical arrays of SiNWs-ZnO nanostructures as high performance electron field emitters}, journal = {Journal of Materials Chemistry}, volume = {22}, number = {43}, year = {2012}, month = {NOV}, pages = {22922-22928}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Multicomponent hybrid materials of nanostructured building blocks are essential for the development of complex devices and advanced applications due to their role as either functional or interconnecting elements. This study introduces a simple and cost effective strategy for the synthesis of vertical arrays of silicon nanowires and ZnO nanostructures (nanorod and multipod structures). Formation of vertical nanostructured arrays is confirmed by SEM and HRTEM imaging as well as XRD and Raman measurements. We have investigated field emission properties of the as-synthesized vertical nanostructured arrays. Our results show that these SiNWs-ZnO nanostructures are highly efficient and stable field emitters.

}, issn = {0959-9428}, doi = {10.1039/c2jm34224c}, author = {Devarapalli, Rami Reddy and Shinde, Deodatta R. and Barka-Bouaifel, Fatiha and Yenchalwar, Sandeep G. and Boukherroub, Rabah and More, Mahendra A. and Shalke, Manjusha V.} } @article { ISI:000304888700036, title = {Visible-light-induced photosplitting of water over gamma {\textquoteleft}-Fe4N and gamma {\textquoteleft}-Fe4N/alpha-Fe2O3 nanocatalysts}, journal = {Journal of Physical Chemistry C}, volume = {116}, number = {22}, year = {2012}, month = {JUN}, pages = {12156-12164}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The application of gamma{\textquoteright}-Fe4N, a noble-metal-free, low-cost catalyst, in the photosplitting of neat water into stoichiometric amounts of H-2 and O-2 under visible-light irradiation is reported for the first time. The catalyst showed optical absorption and photoluminescence emission bands in the entire visible region. The photocatalytic water-splitting activity was wavelength-dependent, the quantum efficiency for H-2 evolution being ca. 1.7 and 0.7\% at excitation wavelengths of 450 and 500 nm, respectively. Addition of electron donor/acceptor sacrificial reagents considerably affected the yield and stoichiometry of H-2 and O-2. At the same time, the product yield increased in a composition-dependent manner for (gamma{\textquoteright}-Fe4N)(x) + (alpha-Fe2O3)(1-x) nanocomposites. This activity augmentation is ascribed to the better dispersion of the active component gamma{\textquoteright}-Fe4N and also to the availability of more active surface sites at Fe4N/Fe2O3 contacts. Moreover, the proximity of the valence band potential of the component photosystems promotes the preferential transfer/entrapment of photoexcited hole carriers. We envisage that the defect/impurity-induced interband-gap energy states may play a vital role in these charge-transfer processes, leading thereby to more effective e(-)-h(+) separation and the enhanced rate of the water-splitting reaction. First-principles electronic structure analysis suggests that the extraordinary photocatalytic and optical properties of intermetallic gamma{\textquoteright}-Fe4N may arise from the particle-size-dependent changes in electronic structure.

}, issn = {1932-7447}, doi = {10.1021/jp303255f}, author = {Dhanasekaran, P. and Salunke, Hemant G. and Gupta, Narendra M.} } @article { ISI:000315775800008, title = {Acetone vapour sensing characteristics of undoped and Zn, Ce doped SnO2 thick film gas sensor}, journal = {Materials Research Innovations}, volume = {17}, number = {2}, year = {2013}, month = {APR}, pages = {98-105}, publisher = {MANEY PUBLISHING}, address = {STE 1C, JOSEPHS WELL, HANOVER WALK, LEEDS LS3 1AB, W YORKS, ENGLAND}, abstract = {

The nanocrystalline materials of zinc and ceria doped tin oxide [(Zn+Ce)-SnO2] powders were synthesised by coprecipitation method and investigated for their sensing properties towards liquid petroleum gas (LPG), ethanol, ammonia and acetone vapour. The crystal structure and phase of the as synthesised and sintered powders were characterised by X-ray diffractometer and the microstructure by scanning electron microscopy. All the doped and undoped SnO2 compositions revealed single phase solid solution formation. Transmission electron microscope results indicated that well crystallised (Zn+Ce) doped SnO2 particles of size similar to 7 nm were obtained at the annealing temperature of 650 degrees C. The reduction in grain size of the metal oxide is a key factor to enhance the gas sensing properties. The doping of zinc, ceria in SnO2 has reduced the grain size and improved the gas response. The results of gas sensing measurements showed that the thick films deposited on alumina substrates using screen printing technique exhibited high response to acetone at an operating temperature of 300 degrees C. Further, the selectivity of the sensor towards acetone with respect to other reducing gases (LPG, ethanol and ammonia) was studied.

}, keywords = {Gas, Screen printing, Sensor, SnO2}, issn = {1432-8917}, doi = {10.1179/1433075X12Y.0000000035}, author = {Bagal, L. K. and Patil, J. Y. and Bagal, K. N. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000323842900043, title = {Active sites in modified copper catalysts for selective liquid phase dehydration of aqueous glycerol to acetol}, journal = {RSC Advances}, volume = {3}, number = {37}, year = {2013}, month = {JUL}, pages = {16499-16508}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report here the influence of oxides of various metals viz. Ba, Mg, Zr, Zn, Al, and Cr in modified copper catalysts, on the formation of different copper species and acid sites responsible for dehydration of aqueous glycerol to acetol. These catalysts were prepared by a co-precipitation method, among which the catalysts having higher acid strength and predominant Bronsted acidity (Cu-Mg, Cu-Zr and Cu-Al) gave the highest acetol selectivity (76-92\%), while the catalysts with lower acidity such as Cu-Zn showed very poor (25\%) selectivity to acetol in spite of the highest conversion of 68\%. Nevertheless, catalysts exhibiting higher activity and acetol selectivity also showed the presence of metallic Cu confirmed by XRD and XANES-EXAFS characterization. Based on these results, two different catalytic pathways have been proposed highlighting the role of Lewis and Bronsted acidity along with the metal sites in individual steps of glycerol dehydration reaction.

}, issn = {2046-2069}, doi = {10.1039/c3ra42348d}, author = {Mane, Rasika B. and Yamaguchi, Aritomo and Malawadkar, Atul V. and Shirai, Masayuki and Rode, Chandrashekhar V.} } @article { ISI:000323497900010, title = {Alishewanella solinquinati sp nov., isolated from soil contaminated with textile dyes}, journal = {Current Microbiology}, volume = {67}, number = {4}, year = {2013}, month = {OCT}, pages = {454-459}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A novel Gram-negative, motile, rod-shaped, facultative anaerobic bacterial strain, KMK6(T), was isolated from soil contaminated with textile dyes from an industrial estate located at Ichalkaranji, Maharashtra, India, and its taxonomical position was established by using a polyphasic approach. The major cellular fatty acids included C-17:1 omega 8c, summed feature 3 (C-16:1 omega 7c and/or iso-C-15:0 2-OH), C-17:0, C-16:0,C- and C-18:1 omega 7c. The DNA G+C content of strain KMK6(T) was 48.8 mol \%. 16S rRNA gene sequence analysis confirmed its placement in the genus Alishewanella, and exhibited sequence similarity levels of below 97 \% to the type strains of validly published Alishewanella species. On the basis of genotypic and phenotypic evidence, strains KMK6(T) is considered to be a novel species of the genus Alishewanella, for which we propose that strain KMK6(T) (=NCIM 5295(T) =BCRC 17848(T)) is assigned to a novel species, Alishewanella solinquinati sp. nov.

}, issn = {0343-8651}, doi = {10.1007/s00284-013-0385-7}, author = {Kolekar, Yogesh M. and Pawar, Shrikant P. and Adav, Sunil S. and Zheng, Liu-Qiang and Li, Wen-Jun and Shouche, Yogesh S. and Dastager, Syed Gulam and Kodam, Kisan M.} } @article { ISI:000322068400048, title = {Aminosilicate sol-gel stabilized N-doped TiO2-Au nanocomposite materials and their potential environmental remediation applications}, journal = {RSC Advances}, volume = {3}, number = {32}, year = {2013}, month = {MAY}, pages = {13390-13398}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A facile chemical reduction method to synthesize amine functionalized silicate sol-gel-supported gold-deposited nitrogen-doped Degussa-TiO2 nanocomposite materials (APS/(N-P25-Au)(NCM)) is reported and the materials are characterized by DRS, PL, XRD, TEM, Raman, XPS and BET surface area analysis. The application of the synthesized APS/(N-P25-Au)(N)CM towards environmental remediation processes are investigated by studying the catalytic oxidation of carbon monoxide (CO) and photocatalytic reduction of toxic mercuric (Hg(II)) ions. The catalytic and photocatalytic activity of the prepared catalysts are found to be in the order of APS/(N-P25-Au)(NCM) \>\> APS/(P25-Au)(NCM) \> N-P25 \> P25. The enhanced catalytic and photocatalytic activities of the APS/(N-P25-Au)(NCM) can be attributed to the synergistic effect of Au-nps and N-doped P25. The catalytic activities of the APS/(N-P25-Au)(NCM) are very promising in the field of green technology for the environmental cleaning applications.

}, issn = {2046-2069}, doi = {10.1039/c3ra40573g}, author = {Pandikumar, Alagarsamy and Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S. and Ramaraj, Ramasamy} } @article { ISI:000326319700002, title = {Antimycobacterial labdane diterpenes from leucas stelligera}, journal = {Journal of Natural Products}, volume = {76}, number = {10}, year = {2013}, month = {OCT}, pages = {1836-1841}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Phytochemical investigation of the acetone extract of the aerial parts of Leucas stelligera afforded four new compounds (1-4) belonging to the labdane diterpene series as well as two known flavones, velutin (5) and chrysoeriol (6). Structure elucidation of the new compounds was carried out using ID and 2D NMR spectroscopic data and single-crystal X-ray crystallography of compound 1. Compounds 1-4 exhibited selective antimycobacterial activity against Mycobacterium tuberculosis with IC50 values in the range 5.02-9.80 mu g/mL.

}, issn = {0163-3864}, doi = {10.1021/np400002p}, author = {Kulkarni, Roshan R. and Shurpali, Ketaki and Puranik, Vedavati G. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000320036300013, title = {Ant-pro reverse-turn motif. structural features and conformational characteristics}, journal = {European Journal of Organic Chemistry}, number = {17, SI}, year = {2013}, month = {JUN}, pages = {3529-3542}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

This article details the characteristic conformational features of the Ant-Pro reverse turn ? a folded pseudo -turn motif that displays a closed nine-membered-ring hydrogen-bonded network involving just two amino acid residues, namely anthranilic acid (Ant; a constrained -amino acid), and proline (Pro; a constrained -amino acid). The results from the extensive investigation of ten crystal structures and their NMR conformations in the solution state provide a clear idea about the conformational characteristics of the Ant-Pro reverse turn. The Ant and Pro residues, which form the turn segment, maintain a perfect antiperiplanar orientation throughout, leaving little possibility for the formation of the otherwise possible six-membered hydrogen-bonding that requires a coplanar disposition of the two amino acid residues, as clearly evident from investigation of several crystal structures. The closed hydrogen-bonded network observed in the Ant-Pro reverse turn motif, formed in the forward direction of the sequence (12 amino acid interactions) involving only two amino acid residues, is in stark contrast to the native -turns that involve four residues to form hydrogen-bonded network featuring backward 14 amino acid interactions. The readily available two-residue Ant-Pro motif raises the possibility of a practical utility, particularly in the application of rigidifying flexible peptide backbones by inserting the robust Ant-Pro reverse turn motifs into their backbone.

}, keywords = {Peptides, Peptidomimetics, Protein folding, Protein structures}, issn = {1434-193X}, doi = {10.1002/ejoc.201201739}, author = {Thorat, Vijaykumar H. and Ingole, Tukaram S. and Vijayadas, Kuruppanthara N. and Nair, Roshna V. and Kale, Sangram S. and Ramesh, Veera V. E. and Davis, Hilda C. and Prabhakaran, Panchami and Gonnade, Rajesh G. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000319942700023, title = {Arsenomics of exiguobacterium sp PS (NCIM 5463)}, journal = {RSC Advances}, volume = {3}, number = {25}, year = {2013}, month = {APR}, pages = {9705-9713}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In the present study, arsenate [As(V)] tolerant organisms were isolated from a metal contaminated site, and identified by 16S rDNA sequencing as Exiguobacterium sp. Arsenomics (omics of arsenic response) in Exiguobacterium sp. PS via two-dimensional gel electrophoresis (2-DGE) coupled with identification of proteins using MALDI-TOF MS, MALDI-TOF MS/MS and LC/MSE are studied vide this paper. Out of 2460 Coomassie stained proteins, 270 were differentially expressed (p \< 0.05). Considering the resolution and abundance level, 45 spots (proteins) were subjected to MALDI-TOF MS/MS, MALDI-TOF/TOF and LC/MSE. Out of these, 33 were identified and categorized into several functional categories (including both known and novel/putative stress responsive proteins) viz., carbohydrate and energy metabolism, stress response, motility, amino acid, and purine and protein synthesis. The identifications of unique proteins, phosphate ABC transporter ATPase subunit and pyridine nucleotide disulfide oxidoreductase, are the significant findings of the present study which may be used as markers of As(V) stress in Exiguobacterium sp. PS. The absence of As(V) reductase activity and non-amplification of the arsC gene of the ars operon suggests that the classical mechanism of As(V) resistance may not be operating in Exiguobacterium sp. PS. Lastly, considering the fact that proteomic studies under As(V) stress were performed only in Gram negative organisms, this study is the first comprehensive endeavour to explore the mechanism of As(V) response in Gram positive organisms, Exiguobacterium sp. PS at the proteomic level.

}, issn = {2046-2069}, doi = {10.1039/c3ra40897c}, author = {Sacheti, Poonam and Bhonsle, Hemangi S. and Patil, Rajendra and Kulkarni, Mahesh J. and Srikanth, Rapole and Gade, Wasudeo N.} } @article { ISI:000316843000010, title = {Asymmetric routes to pentadec-1-en-4-ol: application to the syntheses of aculeatins F and epi-F, (R)- and (S)-5-hexadecanolide and a formal synthesis of solenopsin}, journal = {Tetrahedron-Asymmetry}, volume = {24}, number = {5-6}, year = {2013}, month = {MAR}, pages = {305-314}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and simple route to the synthesis of pentadec-1-en-4-ol, an important synthetic building block for the aculeatins F and epi-F, insect pheromone 5-hexadecanolide, solenopsin and various other natural products has been developed via proline-catalyzed alpha-aminoxylation of an aldehyde and hydrolytic kinetic resolution of a terminal epoxide. While the synthesis of aculeatins F and epi-F has been accomplished using a FIFA promoted oxidative spirocyclization/dithiane deprotection reaction sequence and linchpin coupling as key steps, the synthesis of hexadecanolide and a formal synthesis of solenopsin was performed using ring-closing metathesis (RCM) as key step. (C) 2013 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2013.02.005}, author = {Harbindu, Anand and Sharma, Brijesh M. and Kumar, Pradeep} } @article {43231, title = {Band-like transport in high mobility unencapsulated single-layer MoS2 transistors}, journal = {Applied Physics Letters}, volume = {102}, year = {2013}, month = {APR}, pages = {Article Number: 173107}, abstract = {Ultra-thin MoS2 has recently emerged as a promising two-dimensional semiconductor for electronic and optoelectronic applications. Here, we report high mobility (>60 cm(2)/Vs at room temperature) field-effect transistors that employ unencapsulated single-layer MoS2 on oxidized Si wafers with a low level of extrinsic contamination. While charge transport in the sub-threshold regime is consistent with a variable range hopping model, monotonically decreasing field-effect mobility with increasing temperature suggests band-like transport in the linear regime. At temperatures below 100 K, temperature-independent mobility is limited by Coulomb scattering, whereas, at temperatures above 100 K, phonon-limited mobility decreases as a power law with increasing temperature. (C) 2013 AIP Publishing LLC.}, doi = {10.1063/1.4803920}, author = {Jariwala, Deep and Sangwan, Vinod K. and Late, Dattatray J. and Johns, James E. and Dravid, Vinayak P. and Marks, Tobin J. and Lauhon, Lincoln J. and Hersam, Mark C.} } @article { ISI:000327558400001, title = {Base-catalyzed mukaiyama-type aldol additions, a continued quest for stereoselectivity}, journal = {Tetrahedron-Asymmetry}, volume = {24}, number = {21-22}, year = {2013}, month = {NOV}, pages = {1345-1363}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Base-catalyzed reactions of silyl enolates with carbonyl compounds are an attractive variant of conventional directed aldol reactions. Over the past two decades, the reaction has gained prominence due to its inherent advantage for stereoselective manipulations. The present review provides a brief account of developments in this area. Various approaches are grouped together in order to provide the salient features of each conceptual development. It appears that the methods which generate nascent chiral enolates or cationic siliconium species have the biggest influence on the stereoselectivity. (C) 2013 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2013.09.012}, author = {Sutar, Revannath L. and Joshi, Navalkishore N.} } @article { ISI:000324309600011, title = {Basic structural motif and major biophysical properties of Amyloid-beta are encoded in the fragment 18-35}, journal = {Chemical Physics}, volume = {422}, number = {SI}, year = {2013}, month = {AUG}, pages = {80-87}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Aggregation and misfolding of the amyloid beta (A beta) peptide is thought to initiate Alzheimer{\textquoteright}s disease (AD). Here we study the role played by its central segment (A beta(18-35)) in determining these properties. A beta(18-35) has a solubility of 18 mu M. The soluble fraction consists mainly of small oligomers, which have mixed beta-sheet and random coil structures. The monomer is mostly a random coil with some residual compactness. Aggregated A beta(18-35) forms fibrils of width 3.0 +/- 0.7 nm, which is consistent with a hairpin shape. Each of these properties has a close similarity to A beta(40). Remarkably, solid state NMR indicates that the fibrils also retain the secondary structure and tertiary contacts of A beta(40). This is the shortest fragment of A beta reported so far which preserves its fibrillar architecture, including the hairpin turn, as well as its solution phase conformational properties. Residues 18-35 should therefore be a key target of AD therapeutics. (C) 2013 Published by Elsevier B. V.

}, keywords = {Alzheimer{\textquoteright}s disease, Fluorescence correlation spectroscopy, Protein aggregation, Solid-state NMR}, issn = {0301-0104}, doi = {10.1016/j.chemphys.2013.01.010}, author = {Chandrakesan, Muralidharan and Sarkar, Bidyut and Mithu, Venus Singh and Rajiv M. Abhyankar and Bhowmik, Debanjan and Nag, Suman and Sahoo, Bankanidhi and Shah, Riddhi and Gurav, Sushma and Banerjee, Raja and Dandekar, Sucheta and Jose, Jaya C. and Sengupta, Neelanjana and Madhu, Perunthiruthy K. and Maiti, Sudipta} } @article { ISI:000320746200022, title = {Biochemical characterization of recombinant cinnamoyl CoA reductase 1 (Ll-CCRH1) from Leucaena leucocephala}, journal = {International Journal of Biological Macromolecules}, volume = {58}, year = {2013}, month = {JUL}, pages = {154-159}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Recombinant cinnamoyl CoA reductase 1 (Ll-CCRH1) protein from Leucaena leucocephala was overexpressed in Escherichia coli BL21 (DE3) strain and purified to apparent homogeneity. Optimum pH for forward and reverse reaction was found to be 6.5 and 7.8 respectively. The enzyme was most stable around pH 6.5 at 25 degrees C for 90 min. The enzyme showed k(cat)/k(m) for feruloyl, caffeoyl, sinapoyl, coumaroyl CoA, coniferaldehyde and sinapaldehyde as 4.6, 2.4, 2.3, 1.7, 1.9 and 1.2 (x10(6) M-1 s(-1)), respectively, indicating affinity of enzyme for feruloyl CoA over other substrates and preference of reduction reaction over oxidation. Activation energy, E-a for various substrates was found to be in the range of 20-50 kJ/mol. Involvement of probable carboxylate ion, histidine, lysine or tyrosine at the active site of enzyme was predicted by pH activity profile. SAXS studies of protein showed radius 3.04 nm and volume 49.25 nm(3) with oblate ellipsoid shape. Finally, metal ion inhibition studies revealed that Ll-CCRH1 is a metal independent enzyme. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Activation energy, Cinnamoyl CoA esters, Cinnamoyl CoA reductase 1, SAXS, stability}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.03.050}, author = {Sonawane, Prashant and Vishwakarma, Rishi Kishore and Khan, Bashir Mohammad} } @article { ISI:000323396800020, title = {Biological synthesis of silver nanoparticles using the fungus humicola sp and evaluation of their cytoxicity using normal and cancer cell lines}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {114}, year = {2013}, month = {OCT}, pages = {144-147}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Nanoscience is a new born science of the modern era and taps into the potential of particles at nanoscale. Bulk materials reduced to nanoscale dimensions thus obtain unique properties such as electronic, optical, magnetic and chemical. As far as synthesis of nanoparticles is concerned, biological synthesis has recently sparked a great interest as compared to other available chemical and physical methods on account of its eco-friendliness and cost-effectiveness. Here we report, for the first time, the biosynthesis of silver nanoparticles by the thermophilic fungus Humicola sp. The fungus when reacted with Ag+ ions reduces the precursor solution and leads to the formation of extracellular nanoparticles as monitored by ultra violet visible spectroscopy (UV-Vis). The morphology of nanoparticles is found to be spherical with good dispersity as revealed by transmission electron microscopy (TEM). Cell viability assays were carried out to assess the cytotoxicity of silver nanoparticles on NIH3T3 mouse embryonic fibroblast cell line and MDA-MB-231 human breast carcinoma cell line. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Cell viability, Fungus, Humicola sp., Nanoparticles, Silver}, issn = {1386-1425}, doi = {10.1016/j.saa.2013.05.030}, author = {Syed, Asad and Saraswati, Supriya and Kundu, Gopal C. and Ahmad, Absar} } @article { ISI:000322464500002, title = {Biomass to biodegradable polymer (PLA)}, journal = {RSC Advances}, volume = {3}, number = {33}, year = {2013}, month = {JUN}, pages = {13558-13568}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Lignocellulosic biomass is renewable and cheap, and it has the potential to displace fossil fuels for the production of fuels and chemicals. Biomass derived lactic acid is an important compound that can be used as a chemical platform for the production of a variety of important chemicals on a large scale. The quality of the monomers of lactic acid and lactide, as well as the chemical changes induced during polymerization and processing, are crucial parameters for controlling the properties of the resulting polylactic acid (PLA) products. In this review, we outline the process of exploiting biomass for the production of polylactic acid, a biodegradable polymer which is well-known as a sustainable bioplastic material.

}, issn = {2046-2069}, doi = {10.1039/c3ra41592a}, author = {Singhvi, Mamata and Gokhale, Digambar V.} } @article { ISI:000321965300043, title = {Biosynthesis of antinutritional alkaloids in solanaceous crops is mediated by clustered genes}, journal = {Science}, volume = {341}, number = {6142}, year = {2013}, month = {JUL}, pages = {175-179}, publisher = {AMER ASSOC ADVANCEMENT SCIENCE}, address = {1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA}, abstract = {

Steroidal glycoalkaloids (SGAs) such as alpha-solanine found in solanaceous food plants-as, for example, potato-are antinutritional factors for humans. Comparative coexpression analysis between tomato and potato coupled with chemical profiling revealed an array of 10 genes that partake in SGA biosynthesis. We discovered that six of them exist as a cluster on chromosome 7, whereas an additional two are adjacent in a duplicated genomic region on chromosome 12. Following systematic functional analysis, we suggest a revised SGA biosynthetic pathway starting from cholesterol up to the tetrasaccharide moiety linked to the tomato SGA aglycone. Silencing GLYCOALKALOID METABOLISM 4 prevented accumulation of SGAs in potato tubers and tomato fruit. This may provide a means for removal of unsafe, antinutritional substances present in these widely used food crops.

}, issn = {0036-8075}, doi = {10.1126/science.1240230}, author = {Itkin, M. and Heinig, U. and Tzfadia, O. and Bhide, Amey J. and Shinde, B. and Cardenas, Pablo D. and Bocobza, S. E. and Unger, T. and Malitsky, Sergey and Finkers, R. and Tikunov, Y. and Bovy, A. and Chikate, Y. and Singh, P. and Rogachev, I. and Beekwilder, J. and Giri, Ashok P. and Aharoni, Asaph} } @article { ISI:000315127000035, title = {Biosynthesis of Se nanoparticles and its effect on UV-induced DNA damage}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {103}, year = {2013}, month = {MAR}, pages = {261-266}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

This paper reports, an environmentally benign procedure of synthesis and characterizations of selenium nanoparticles and their protective effect against UV-induced DNA damage activities. An aqueous leaf extract of lemon plant was used as a precursor for synthesis of colloidal selenium nanoparticles. Resulting nanoparticles were characterized using UV-vis spectrophotometer, photoluminescence, TEM, EDAX, FT-IR and XRD, respectively. Selenium colloidal solution exhibited an absorption maximum at 395 nm and produced an emission maximum at 525 nm. Transmission electron microscopy followed by selected area electron diffraction pattern analysis indicated the formation of spherical, polydispersed, crystalline, selenium nanoparticles of diameter ranging from (similar to 60 to 80 nm). X-ray diffraction studies showed the formation of 111, 2 0 0 and 220 planes of face-centered cubic (fcc) selenium. EDAX analysis confirmed the presence of selenium in nanosphere. Fourier transformed infrared spectroscopic investigation reveled the involvement of carboxyl (-C=0), hydroxyl (-OH), amine (-NH) functional group of lemon plant extract in preparation of selenium nano particles. MU assay as well single cell gel electrophoresis assay or comet assay revealed that synthesized selenium nanoparticles, caused less cell death of lymphocytes and prevented DNA damage, when cells were exposed to UVB. The fluorescent property of selenium nanopartides can be used as diagnostic agent. Further, their anti DNA damaging property can be investigated as a chemotherapeutic agent in cancer therapy. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Comet assay, EDAX, FT-IR, MTT assay, Selenium nanoparticles, UV-vis spectrophotometer}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2012.10.029}, author = {Prasad, Kumar Suranjit and Patel, Hirnee and Patel, Tirtha and Patel, Khusbu and Selvaraj, Kaliaperumal} } @article { ISI:000317327900022, title = {Carboxamide versus sulfonamide in peptide backbone folding: a case study with a hetero foldamer}, journal = {Organic Letters}, volume = {15}, number = {7}, year = {2013}, month = {APR}, pages = {1504-1507}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Strikingly dissimilar hydrogen-bonding patterns have been observed for two sets of closely similar hetero foldamers containing carboxamide and sulfonamides at regular intervals. Although both foldamers maintain conformational ordering, the hydrogen-bonding pattern and backbone helical handedness differ diametrically.

}, issn = {1523-7060}, doi = {10.1021/ol4002762}, author = {Ramesh, Veera V. E. and Kale, Sangram S. and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000315069400009, title = {Catalytic activity of ZIF-8 in the synthesis of styrene carbonate from CO2 and styrene oxide}, journal = {Catalysis Communications}, volume = {32}, year = {2013}, month = {FEB}, pages = {36-40}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The catalytic activity of ZIF-8 in the synthesis of styrene carbonate from carbon dioxide and styrene oxide is presented. ZIF-8 crystals displayed catalytic activity even at temperatures as low as 50 degrees C, with styrene carbonate yields as high as similar to 54\% at 100 degrees C. In contrast to many prior-art catalysts, solvents or co-catalysts were not required. Pyridine and ammonia were used as probe molecules to estimate the type and density of acid sites in fresh and reused ZIF-8 catalysts. DRIFT spectroscopy of adsorbed pyridine revealed the presence of both Bronsted (B) and Lewis (L) acid sites. The B-sites have nearly vanished in the case of recycled ZIF-8 catalysts. The simultaneous presence of both the acid sites and the nitrogen basic moieties from the imidazole linker in ZIF-8 promoted the adsorption of the CO2 on the solid surface and its further conversion to the cyclic carbonate. The ZIF-8 catalysts could be recycled and reused without significant loss in catalytic activity. Published by Elsevier B.V.

}, keywords = {CO2 conversion, cyclic carbonates, Styrene carbonate, Zeolitic imidazolate frameworks, ZIF-8}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.12.003}, author = {Zhu, Minqi and Srinivas, Darbha and Bhogeswararao, Seemala and Ratnasamy, Paul and Carreon, Moises A.} } @article { ISI:000313230200031, title = {Catalytic and DFT study of selective ethylene oligomerization by nickel(II) oxime-based complexes}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {366}, year = {2013}, month = {JAN}, pages = {238-246}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The reactivity of nickel(II) thiophenealdoxime complex (3) toward oligomerization of ethylene in the presence of an alkylaluminum co-catalyst has been studied. The complex was found to be a selective ethylene dimerization catalyst in the presence of co-catalysts such as methylalumoxane (MAO) and diethylaluminum chloride (DEAC). With DEAC, the productivity was considerably higher than with MAO. Under optimum conditions the productivity reaches 388 kg/mol catalyst/h/bar with DEAC whereas for MAO this value was 119 kg/mol catalyst/h/bar. Complex 3 displays good ethylene conversions of up to a maximum of 90\% with exceptionally high alpha-selectivity for 1-butene (\>99.5\%) amongst C-4 products. Computational studies using density functional theory (DFT) were also carried out to ascertain the decomposition pathway for 3 as well as that for Ni(II) complex of the pyridine ketoxime ligand 2. The results suggest that loss of one of the two bidentate oxime ligands attached to the metal center through reaction with DEAC is likely for both 2 and 3. Further, calculations indicate that the subsequent decomposition step was significantly more probable for 3 than for 2 thus explaining why the pyridine ketoxime ligand bound nickel complex 2 was experimentally found to be more stable than the thiophene aldoxime bound nickel complex 3. Calculations also show that the proton of the -OH group (oxime) plays a major role in the stability of the molecules. This was confirmed experimentally by synthesizing the Ni(II) dichloro complex of Pyridine-2-carbaldehyde O-methyloxime 5 and reacting it with ethylene under similar conditions. 5 was found to be highly active even at low co-catalyst concentrations. (c) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Butene-1, Ethylene dimerization, Ni(II) complex, Thiophene aldoxime}, issn = {1381-1169}, doi = {10.1016/j.molcata.2012.09.029}, author = {Tayade, Kamlesh N. and Mane, Manoj V. and Sen, Suman and Murthy, C. N. and Tembe, Gopal L. and Pillai, S. Muthukumaru and Vanka, Kumar and Mukherjee, Soumen} } @article { ISI:000320976600013, title = {Catalytic upgrading of renewable levulinic acid to ethyl levulinate biodiesel using dodecatungstophosphoric acid supported on desilicated H-ZSM-5 as catalyst}, journal = {Applied Catalysis A-General}, volume = {460}, year = {2013}, month = {JUN}, pages = {90-98}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Levulinic acid (LA) is considered as a renewable platform chemical and can be used for the synthesis of variety of important fuels and chemicals. In particular, its esterification with ethanol produces ethyl levulinate (EL) would be green process, as it can be used as diesel miscible biofuel (DMB), preventing global warming by decreasing atmospheric CO2. This study explores the use of modified H-ZSM-5 by desilication viz.; DH-ZSM-5 and dodecatungstophosphoric acid (DTPA) loaded on DH-ZSM-5 for esterification of LA with ethanol aiming to EL. Different degree of desilication of H-ZSM-5 was performed by using aq. NaOH (0.2-1.5 M) at 338 K for 30 min and then DTPA was loaded on these desilicated H-ZSM-5 (DH-ZSM-5) support. H-ZSM-5, DH-ZSM-5 and DTPA on these DH-ZSM-5 samples were characterized by powder x-ray diffraction (XRD), N-2 adsorption-desorption, pyridine chemisorbed IR spectroscopy, Temperature Programmed Ammonia Desorption (TPAD). The increase in conversion of levulinic acid was observed from 28\% to 94\% with increase of DTPA loading from 0\% to 15\%. The increased LA conversion may be due to increase in total acidity from 43.14\% to 84.31\%. The use of DH-ZSM-5 as support for deposition of DTPA may be reported for the first time. The present work also extended to optimize process parameters such as DTPA loading on DH-ZSM-5, catalyst to LA ratio, LA to ethanol molar ratio, speed of agitation, particle size reaction temperature and catalyst reusability. Kinetic study based on pseudo-homogeneous (P-H) model is also presented. The experimental results follow second order kinetics. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {desilicated H-ZSM-5, DTPA on desilicated H-ZSM-5, Esterification, ethyl levulinate, levulinic acid}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.04.024}, author = {Nandiwale, Kakasaheb Y. and Sonar, Shilpa K. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Deshpande, Shilpa S. and Patil, Vilas S. and Bokade, Vijay V.} } @article { ISI:000320024400001, title = {C-C Bond formation catalyzed by natural gelatin and collagen proteins}, journal = {Beilstein Journal of Organic Chemistry}, volume = {9}, year = {2013}, month = {JUN}, pages = {1111-1118}, publisher = {BEILSTEIN-INSTITUT}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {

The activity of gelatin and collagen proteins towards C-C bond formation via Henry (nitroaldol) reaction between aldehydes and nitroalkanes is demonstrated for the first time. Among other variables, protein source, physical state and chemical modification influence product yield and kinetics, affording the nitroaldol products in both aqueous and organic media under mild conditions. Significantly, the scale-up of the process between 4-nitrobenzaldehyde and nitromethane is successfully achieved at 1 g scale and in good yield. A comparative kinetic study with other biocatalysts shows an increase of the first-order rate constant in the order chitosan \< gelatin \< bovine serum albumin (BSA) \< collagen. The results of this study indicate that simple edible gelatin can promote C-C bond forming reactions under physiological conditions, which may have important implications from a metabolic perspective.

}, keywords = {biocatalysis, carbon-carbon bond formation, gelatin, Henry reaction, protein}, issn = {1860-5397}, doi = {10.3762/bjoc.9.123}, author = {Kuehbeck, Dennis and Dhar, Basab Bijayi and Schoen, Eva-Maria and Cativiela, Carlos and Gotor-Fernandez, Vicente and Diaz, David Diaz} } @article { ISI:000324848000147, title = {Characterisation and determination of in vitro antioxidant potential of betalains from talinum triangulare (Jacq.) willd.}, journal = {Food Chemistry}, volume = {141}, number = {4}, year = {2013}, month = {DEC}, pages = {4382-4390}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Talinum triangulare (Jacq.) Willd is an erect, succulent, perennial herb belonging to the family Portulacaceae. Under extreme environmental conditions, the plant produces betalain pigments which get accumulated in the stem region. Hence, in the present study, the betaxanthin and betacyanin patterns from different samples of T. triangulare have been investigated by applying high-performance liquid chromatography photo-diode array detection (HPLC-PDA) coupled with positive ion electro-spray mass spectrometry. Two betacyanins and two betaxanthins were identified in aqueous methanolic extract of flower, stem and leaf. Betanin, isobetanin, immonium conjugates of betalamic acid with dopamine and tyrosine were elucidated. The total betalain content was estimated by photometric analysis. In vitro antioxidant activity for the betalain extract determined by various methods revealed potent scavenging ability. The current work may possibly be considered beneficial in utilisation of the plant T. triangulare as a natural colourant in food and beverage industries. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Antioxidant, Betalains, HPLC-MS, Portulacaceae, Waterleaf}, issn = {0308-8146}, doi = {10.1016/j.foodchem.2013.06.108}, author = {Swarna, J. and Lokeswari, T. S. and Smita, M. and Ravindhran, R.} } @article { ISI:000328395400001, title = {Characterization of a chemostable serine alkaline protease from Periplaneta americana}, journal = {BMC Biochemistry}, volume = {14}, year = {2013}, month = {NOV}, pages = {32}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: Proteases are important enzymes involved in numerous essential physiological processes and hold a strong potential for industrial applications. The proteolytic activity of insects{\textquoteright} gut is endowed by many isoforms with diverse properties and specificities. Thus, insect proteases can act as a tool in industrial processes. Results: In the present study, purification and properties of a serine alkaline protease from Periplaneta americana and its potential application as an additive in various bio-formulations are reported. The enzyme was purified near to homogeneity by using acetone precipitation and Sephadex G-100 gel filtration chromatography. Enzyme activity was increased up to 4.2 fold after gel filtration chromatography. The purified enzyme appeared as single protein-band with a molecular mass of similar to 27.8 kDa in SDS-PAGE. The optimum pH and temperature for the proteolytic activity for purified protein were found around pH 8.0 and 60 degrees C respectively. Complete inhibition of the purified enzyme by phenylmethylsulfonyl fluoride confirmed that the protease was of serine-type. The purified enzyme revealed high stability and compatibility towards detergents, oxidizing, reducing, and bleaching agents. In addition, enzyme also showed stability towards organic solvents and commercial detergents. Conclusion: Several important properties of a serine protease from P. Americana were revealed. Moreover, insects can serve as excellent and alternative source of industrially important proteases with unique properties, which can be utilized as additives in detergents, stain removers and other bio-formulations. Properties of the P. americana protease accounted in the present investigation can be exploited further in various industrial processes. As an industrial prospective, identification of enzymes with varying essential properties from different insect species might be good approach and bioresource.

}, keywords = {Chemostability, Industrial catalyst, Insect proteases, Periplaneta americana, Serine alkaline protease}, issn = {1471-2091}, doi = {10.1186/1471-2091-14-32}, author = {Sanatan, Prashant T. and Lomate, Purushottam R. and Giri, Ashok P. and Hivrale, Vandana K.} } @article { ISI:000325836600014, title = {Characterization of three novel isoprenyl diphosphate synthases from the terpenoid rich mango fruit}, journal = {Plant Physiology and Biochemistry}, volume = {71}, year = {2013}, month = {OCT}, pages = {121-131}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

Mango (cv. Alphonso) is popular due to its highly attractive, terpenoid-rich flavor. Although Alphonso is clonally propagated, its fruit-flavor composition varies when plants are grown in different geo-climatic zones. Isoprenyl diphosphate synthases catalyze important branch-point reactions in terpenoid biosynthesis, providing precursors for common terpenoids such as volatile terpenes, sterols and carotenoids. Two geranyl diphosphate synthases and a farnesyl diphosphate synthase were isolated from Alphonso fruits, cloned for recombinant expression and found to produce the respective products. Although, one of the geranyl diphosphate synthases showed high sequence similarity to the geranylgeranyl diphosphate synthases, it did not exhibit geranylgeranyl diphosphate synthesizing activity. When modeled, this geranyl diphosphate synthase and farnesyl diphosphate synthase structures were found to be homologous with the reference structures, having all the catalytic side chains appropriately oriented. The optimum temperature for both the geranyl diphosphate synthases was 40 degrees C and that for farnesyl diphosphate synthase was 25 degrees C. This finding correlated well with the dominance of monoterpenes in comparison to sesquiterpenes in the fruits of Alphonso mango in which the mesocarp temperature is higher during ripening than development. The absence of activity of these enzymes with the divalent metal ion other than Mg2+ indicated their adaptation to the Mg2+ rich mesocarp. The typical expression pattern of these genes through the ripening stages of fruits from different cultivation localities depicting the highest transcript levels of these genes in the stage preceding the maximum terpene accumulation indicated the involvement of these genes in the biosynthesis of volatile terpenes. (C) 2013 Elsevier Masson SAS. All rights reserved.

}, keywords = {Alphonso, Flavor variation, Fruit, Isoprenyl diphosphate synthase, Mangifera indica, Terpene volatiles}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2013.07.006}, author = {Kulkarni, Ram and Pandit, Sagar and Chidley, Hemangi G. and Nagel, Raimund and Schmidt, Axel and Gershenzon, Jonathan and Pujari, Keshav and Giri, Ashok P. and Gupta, Vidya} } @article { ISI:000326056600165, title = {Chemically conjugated sophorolipids on CdTe QDs: a biocompatible photoluminescence nanocomposite for theranostic applications}, journal = {RSC Advances}, volume = {3}, number = {44}, year = {2013}, month = {SEP}, pages = {22319-22325}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Functional nontoxic cadmium telluride (CdTe) quantum dots (QDs) have been synthesized using a natural functional glycolipid belonging to the family of sophorolipids (SL) as a surface-modifying agent. These SLs with open acidic form are highly suitable for QDs stabilization, are readily obtained by a fermentation process of the yeast Candida bombicola (polymorph Starmerella bombicola) in large amounts. In this work chemically stable, water soluble, and photoluminescent CdTe QDs were successfully conjugated to sophorolipids via a cross-linking reaction. The formation of SLs conjugated CdTe QDs was confirmed using different analytical techniques X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Transmission Electron Microscopy (TEM), Electron Diffraction (ED), Atomic Force Microscopy (AFM), Dynamic Light Scattering (DLS), and Photoluminescence (PL). It was shown that after being conjugated with SL the SL-CdTe QDs becomes biocompatible, still maintaining its water solubility and photoluminescence properties. The final SL coated photoluminescent CdTe QDs represent interesting biocompatible materials potentially useful for biomedical applications.

}, issn = {2046-2069}, doi = {10.1039/c3ra44535f}, author = {Singh, Pooja and Joshi, Kasturi and Guin, Debanjan and Prabhune, Asmita} } @article { ISI:000312940700015, title = {Chemistry in India: unlocking the potential}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {1}, year = {2013}, month = {DEC}, pages = {114-117}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, issn = {1433-7851}, doi = {10.1002/anie.201206960}, author = {Arunan, Elangannan and Brakaspathy, Ramasamy and Desiraju, Gautam R. and Sivaram, Swaminathan} } @article { ISI:000315614700038, title = {Chiral (VO)-O-IV-Sal-Indanol complex over modified SBA-15: an efficient, reusable enantioselective catalyst for asymmetric sulfoxidation reaction}, journal = {Microporous and Mesoporous Materials}, volume = {170}, year = {2013}, month = {APR}, pages = {331-339}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A reusable, mesoporous, heterogeneous vanadium complex, (VO)-O-IV-Sal-Ind-SBA-15 has been synthesized first time from (1R,2S)-(+)-Cis-1-amino-2-indanol for enantioselective sulfoxidation reaction. The physico-chemical properties of the functionalized catalyst were analyzed by a series of characterization techniques like XRD, N-2 sorption measurement isotherm, TEM, FT-IR, XPS, EPR, DRS UV-Visible, ICP-OES and solid \& liquid state C-13, Si-29 and V-51 NMR spectroscopy. Powder X-ray diffraction patterns, TEM and N-2 physisorption analysis confirmed the retention of mesoporous structure after various modifications. Solid-state NMR (C-13 CP-MAS NMR, Si-29 MAS NMR) and FT-IR analysis certified the integrity of organo-catalyst residing inside the pore channels of the mesoporous support. Further, XPS, EPR, V-51 NMR and DRS UV-Visible analyses help to find out the oxidation state and coordination environment of vanadium in (VO)-O-IV-Sal-Ind-SBA-15. Catalytic evaluation in asymmetric sulfoxidation reaction of sulfides indicated that VOIV-Sal-Ind-SBA-15 exhibited higher catalytic activity, stability, reusability and comparable enantioselectivity than SBA-15, PrNH2-SBA-15, neat (VO)-O-IV-Sal-Indanol complex and without catalyst. The effect of different catalysts, temperature, solvents and substrates on sulfoxidation reaction were examined in order to optimize the conversion and enantioselectivity of thioanisoles to sulfoxides. Crown Copyright (C) 2012 Published by Elsevier Inc. All rights reserved.

}, keywords = {(1R, 2S)-(+)-Cis-1-amino-2-indanol, Asymmetric sulfoxidation, Heterogeneous vanadium complex, Mesoporous, Thioanisole}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2012.12.014}, author = {Lazar, Anish and Sharma, Priti and Singh, A. P.} } @article { ISI:000324656500008, title = {Clay entrapped Cu(OH)(x) as an efficient heterogeneous catalyst for ipso-hydroxylation of arylboronic acids}, journal = {Applied Catalysis A-General}, volume = {466}, year = {2013}, month = {SEP}, pages = {60-67}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A remarkably active, selective and stable montmorilonite-KSF entrapped Cu(OH)(x) catalyst, has been prepared for the ipso-hydroxylation of arylboronic acids under ambient conditions without requirement of any ligand or base. This catalyst shows excellent reusability without leaching and any significant loss in catalytic activity. The catalyst was characterized using, XRD, SEM, TPR, IR, XPS and BET surface area measurement techniques. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {clay, Copper, heterogeneous catalysis, Phenols, Water chemistry}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.06.051}, author = {Dar, Bashir Ahmad and Bhatti, Prince and Singh, A. P. and Lazar, Anish and Sharma, Parduman R. and Sharma, Meena and Singh, Baldev} } @article { ISI:000324265700009, title = {Cloning and sequence analysis of three variants of the gene encoding alkaline xylanase C from the alkaliphilic bacillus sp (NCL 87-6-10)}, journal = {Biochemical Genetics}, volume = {51}, number = {9-10}, year = {2013}, month = {OCT}, pages = {737-749}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Alkaline xylanase C from the alkaliphilic Bacillus sp. (NCL 87-6-10) has a low molecular weight and alkaline pI and is cellulase-free, properties compatible with its use in the prebleaching of pulp. We report here the cloning and sequence analysis of three variants of the gene encoding xylanase C; xyl C1, xyl C2, and xyl C3. In phylogenetic analysis, the three xylanase C variants clustered into a single group along with other reported alkaline xylanases. Residues contributing to the alkaline pH were present in all three variants. DNA and protein sequence comparison of these variants with other reported alkaline xylanases revealed silent mutations, some of which are due to codon preference in the respective organisms. The recombinant Xyl C1 that was successfully expressed in E. coli BL21 (DE3) had properties similar to the native enzyme.

}, keywords = {Alkaline xylanase C, Alkaliphilic Bacillus sp (NCL 87-6-10), Cloning, E. coli BL21 (DE3) expression, Sequence analysis}, issn = {0006-2928}, doi = {10.1007/s10528-013-9603-z}, author = {Sharma, Poonam and Rele, Meenakshi V. and Kumar, Lalitha Sunil} } @article { ISI:000322512300025, title = {Cloning, overexpression, crystallization and preliminary X-ray crystallographic analysis of a slow-processing mutant of penicillin G acylase from Kluyvera citrophila}, journal = {Acta Crystallographica Section F-Structural Biology and Crystallization Communications}, volume = {69}, number = {8}, year = {2013}, month = {AUG}, pages = {925-929}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

{Kluyvera citrophila penicillin G acylase (KcPGA) has recently attracted increased attention relative to the well studied and commonly used Escherichia coli PGA (EcPGA) because KcPGA is more resilient to harsh conditions and is easier to immobilize for the industrial hydrolysis of natural penicillins to generate the 6-aminopenicillin (6-APA) nucleus, which is the starting material for semi-synthetic antibiotic production. Like other penicillin acylases, KcPGA is synthesized as a single-chain inactive pro-PGA, which upon autocatalytic processing becomes an active heterodimer of alpha and beta chains. Here, the cloning of the pac gene encoding KcPGA and the preparation of a slow-processing mutant precursor are reported. The purification, crystallization and preliminary X-ray analysis of crystals of this precursor protein are described. The protein crystallized in two different space groups, P1, with unit-cell parameters a = 54.0

}, issn = {1744-3091}, doi = {10.1107/S174430911301943X}, author = {Varshney, Nishant Kumar and Ramasamy, Sureshkumar and Brannigan, James A. and Wilkinson, Anthony J. and Suresh, C. G.} } @article {42494, title = {CN? specific turn-on phosphorescent probe with probable application for enzymatic assay and as an imaging reagent}, journal = {Chemical Communications}, volume = {49}, year = {2013}, month = {OCT}, pages = {255-257}, abstract = {

A new {\textquotedblleft}turn-on{\textquotedblright} luminescence probe for imaging the uptake of 0.2 ppm inorganic CN- in live HeLa cells as well as for probing the CN- generation through an enzymatic process in a virtual aqueous medium at appropriate pH.

}, doi = {10.1039/C2CC37243F}, author = {Reddy, Upendar G. and Das, Priyadip and Saha, Sukdeb and Baidya, Mithu and Ghosh, Sudip K. and Das, Amitava} } @article {42743, title = {Cobalt-catalyzed C{\textendash}H bond functionalizations with aryl and alkyl chlorides}, journal = {Chemistry - A European Journal}, volume = {19}, year = {2013}, month = {AUG}, pages = {10605{\textendash}10610}, abstract = {

Inexpensive cobalt catalysts derived from N-heterocylic carbenes (NHC) allowed efficient catalytic C[BOND]H bond arylations on heteroaryl-substituted arenes with widely available aryl chlorides, which set the stage for the preparation of sterically hindered tri-ortho-substituted biaryls. Likewise, challenging direct alkylations with β-hydrogen-containing primary and even secondary alkyl chlorides proceeded on pyridyl- and pyrimidyl-substituted arenes and heteroarenes. The cobalt-catalyzed C[BOND]H bond functionalizations occurred efficiently at ambient reaction temperature with excellent levels of site-selectivities and ample scope. Mechanistic studies highlighted that electron-deficient aryl chlorides reacted preferentially, while the arenes kinetic C[BOND]H bond acidity was found to largely govern their reactivity.

}, doi = {10.1002/chem.201301409}, author = {Punji, Benudhar and Song, Weifeng and Shevchenko, Grigory A. and Ackermann, Lutz} } @article { ISI:000313651700018, title = {Combinatorial approach of statistical optimization and mutagenesis for improved production of acidic phytase by Aspergillus niger NCIM 563 under submerged fermentation condition}, journal = {Applied Microbiology and Biotechnology}, volume = {97}, number = {2}, year = {2013}, month = {JAN}, pages = {673-679}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Combination of statistical optimization and mutagenesis to isolate hypersecretory strains is studied to maximize phytase production from Aspergillus niger NCIM 563 under submerged fermentation. The overall results obtained show a remarkable 5.98-fold improvement in phytase production rates when compared to that using basal medium. Optimization of culture conditions from parent strain is studied first by the Plackett-Burman technique to evaluate the effects of 11 variables for phytase production. The results showed that glucose, MgSO4, KCl, incubation period, and MnSO4 are the most significant variables affecting enzyme production. Further optimization in these variables, using a central composite design technique, resulted in 3.74-fold increase in the yield of phytase production to 254,500 U/l when compared with the activity observed with basal media (68,000 U/l) in shake flask. Our experiments show that the phytase from A. niger NCIM 563 exhibits desirable activity in simulated gastric fluid conditions with low pH and also improved thermostability when compared to commercial phytase. The improved yield demonstrates the potential applicability of phytase enzyme as a source of phytase supplement for phosphorus nutrition and environmental protection in animal feed industry. Physical and chemical mutagenesis experiments were carried out in parallel to isolate hypersecretory mutants that could possibly further enhance the enzyme production. Using optimized media conditions of the parent strain, our results show that mutant strain A. niger NCIM 1359 increased the phytase activity by another 1.6-fold to 407,200 U/l.

}, keywords = {Animal feed, Aspergillus niger, Mutagenesis, Phytase, Statistical optimization}, issn = {0175-7598}, doi = {10.1007/s00253-012-3965-8}, author = {Bhavsar, Kavita P. and Gujar, P. and Shah, P. and Kumar, V. Ravi and Khire, Jayant Malhar} } @article { ISI:000316074305086, title = {Competition between adsorption and intrinsic collapse of full-length a beta 1-42 on the surface of a single-walled carbon nanotube: insights from molecular dynamics simulations}, journal = {Biophysical Journal}, volume = {104}, number = {2, 1}, year = {2013}, note = {57th Annual Meeting of the Biophysical-Society, Philadelphia, PA, FEB 02-06, 2013}, month = {JAN}, pages = {508A}, publisher = {Biophys Soc}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Sengupta, Neelanjana} } @article { ISI:000326207600012, title = {Complementation of intramolecular interactions for structural-functional stability of plant serine proteinase inhibitors}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1830}, number = {11}, year = {2013}, month = {NOV}, pages = {5087-5094}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Background: Plant protease inhibitors (PIs) constitute a diverse group of proteins capable of inhibiting proteases. Among Pls, serine Pls (SPIs) display stability and conformational restrictions of the reactive site loop by virtue of their compact size, and by the presence of disulfide bonds, hydrogen bonds, and other weak interactions. Scope of review: The significance of various intramolecular interactions contributing to protein folding mechanism and their role in overall stability and activity of SPIs is discussed here. Furthermore, we have reviewed the effect of variation or manipulation of these interactions on the activity/stability of SPIs. Major conclusions: The selective gain or loss of disulfide bond(s) in SPIs can be associated with their functional differentiation, which is likely to be compensated by non-covalent interactions (hydrogen bonding or electrostatic interactions). Thus, these intramolecular interactions are collectively responsible for the functional activity of SPIs, through the maintenance of scaffold framework, conformational rigidity and shape complementarities of reactive site loop. General significance: Structural insight of these interactions will provide an in-depth understanding of kinetic and thermodynamic parameters involved in the folding and stability mechanisms of SPIs. These features can be explored for engineering canonical SPIs for optimizing their overall stability and functionality for various applications. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Disulfide bond, hydrogen bonding, Intramolecular weak interaction, Protease, Reactive site loop, Serine proteinase inhibitor}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2013.07.019}, author = {Joshi, Rakesh S. and Mishra, Manasi and Suresh, C. G. and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000324460900018, title = {Concise synthesis of (5R,6S)-tert-butyl 5-acetoxy-6-(hydroxymethyl)-5,6-dihydropyridine-1(2H)-carboxylate}, journal = {Arkivoc}, number = {2}, year = {2013}, month = {OCT}, pages = {220-227}, publisher = {ARKAT USA INC}, address = {C/O ALAN R KATRITZKY, UNIV FLORIDA, DEPT CHEMISTRY, PO BOX 117200, GAINESVILLE, FL 32611 USA}, abstract = {

An efficient synthesis of (5R,6S)-tert-butyl 5-acetoxy-6-(hydroxymethyl)-5,6-dihydropyridine-1(2H)-carboxylate 1, a common intermediate for various polyhydroxylated piperidines is reported in six steps with 32\% overall yield starting from Garner{\textquoteright}s aldehyde. The key steps include the diastereoselective nucleophilic addition and intramolecular cyclization. (5R,6S)-tert-butyl 5-acetoxy-6-(hydroxymethyl)-5,6-dihydropyridine-1(2H)-carboxylate is a common precursor for the synthesis of 1-deoxy-L-mannojirimycin, 1-deoxy-L-idonojirimycin, L-fagomycin and related analogues.

}, keywords = {cyclization, Garner{\textquoteright}s aldehyde, nucleophilic addition, polyhydroxy piperidines}, issn = {1551-7004}, author = {Ramalingam, S. and Bhise, Ankushkumar D. and Show, Krishanu and Kumar, Pradeep} } @article { ISI:000326148700058, title = {Contact potential induced enhancement of magnetization in polyaniline coated nanomagnetic iron oxides by plasma polymerization}, journal = {Applied Physics Letters}, volume = {103}, number = {16}, year = {2013}, month = {OCT}, pages = {162414}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

The present work derives motivation from the so called surface/interfacial magnetism in core shell structures and commercial samples of Fe3O4 and gamma Fe2O3 with sizes ranging from 20 to 30 nm were coated with polyaniline using plasma polymerization and studied. The High Resolution Transmission Electron Microscopy images indicate a core shell structure after polyaniline coating and exhibited an increase in saturation magnetization by 2 emu/g. For confirmation, plasma polymerization was performed on maghemite nanoparticles which also exhibited an increase in saturation magnetization. This enhanced magnetization is rather surprising and the reason is found to be an interfacial phenomenon resulting from a contact potential. (C) 2013 AIP Publishing LLC.

}, issn = {0003-6951}, doi = {10.1063/1.4826459}, author = {Sethulakshmi, N. and Sooraj, V. and Sajeev, U. S. and Nair, Swapna S. and Narayanan, T. N. and Joy, Lija K. and Joy, Pattayil Alias and Ajayan, Pulickel M. and Anantharaman, Maliemadom R.} } @article { ISI:000319275700021, title = {Copolymerization of ethylene with unsaturated alcohols and methylmethacrylate using a silylated alpha-diimine nickel catalyst: molecular modeling and photodegradation studies}, journal = {Journal of Applied Polymer Science}, volume = {129}, number = {4}, year = {2013}, month = {AUG}, pages = {1820-1832}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

In this article, the experimental results obtained in the copolymerization of ethylene with polar monomers using a silylated -diimine nickel catalyst are described and compared with those obtained with a non-silylate similar one. The results show that the introduction of a siliyl group in the para-position of the imine moiety turns the catalyst less sensitive toward polar functionalities. However, the reactivity observed in copolymerization reactions was found to be reduced both the global polymerization and incorporation rates. Molecular modeling calculation allowed us to understand both the preferred insertion mode and the intermediate product structures for E/MMA copolymerization. Photodegradation studies showed that the presence of polar groups in the copolymers increases their rate of oxidation and turn them more easily degradable. The stabilization performed by Tinuvin 770 showed that for long-exposure times, it is not very effective regardless it is only mixed or grafted to the copolymer. (c) 2012 Wiley Periodicals, Inc.

}, keywords = {ageing, copolymers, Degradation, grafting}, issn = {0021-8995}, doi = {10.1002/app.38889}, author = {Matos, Ines and Fernandes, Susete N. and Liu, Hua-Rong and Tevtia, Amit K. and Singh, R. P. and Manda, Lemos and Lemos, Francisco and Marques, Maria M.} } @article { ISI:000313330000017, title = {Correlation between the variation in observed melting temperatures and structural motifs of the global minima of gallium clusters: an ab initio study}, journal = {Journal of Chemical Physics}, volume = {138}, number = {1}, year = {2013}, month = {JAN}, pages = {014303}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

We have investigated the correlation between the variation in the melting temperature and the growth pattern of small positively charged gallium clusters. Significant shift in the melting temperatures was observed for a change of only few atoms in the size of the cluster. Clusters with size between 31-42 atoms melt between 500-600 K whereas those with 46-48 atoms melt around 800 K. Density functional theory based first principles simulations have been carried out on Ga-n(+) clusters with n = 31, ... , 48. At least 150 geometry optimizations have been performed towards the search for the global minima for each size resulting in about 3000 geometry optimizations. For gallium clusters in this size range, the emergence of spherical structures as the ground state leads to higher melting temperature. The well-separated core and surface shells in these clusters delay isomerization, which results in the enhanced stability of these clusters at elevated temperatures. The observed variation in the melting temperature of these clusters therefore has a structural origin. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4772470]

}, issn = {0021-9606}, doi = {10.1063/1.4772470}, author = {Susan, Anju and Kibey, Aniruddha and Kaware, Vaibhav and Joshi, Kavita} } @article { ISI:000322611900037, title = {Correlation of hydrogen-bonding propensity and anticancer profile of tetrazole-tethered combretastatin analogues}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {23}, number = {16}, year = {2013}, month = {AUG}, pages = {4680-4684}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of 1,5-disubstituted tetrazole-tethered combretastatin analogues with extended hydrogen-bond donors at the ortho-positions of the aryl A and B rings were developed and evaluated for their antitubulin and antiproliferative activity. We wanted to test whether intramolecular hydrogen-bonding used as a conformational locking element in these analogues would improve their activity. The correlation of crystal structures with the antitubulin and antiproliferative profiles of the modified analogues suggested that hydrogen-bond-mediated conformational control of the A ring is deleterious to the bioactivity. In contrast, although there was no clear evidence that intramolecular hydrogen bonding to the B ring enhanced activity, we found that increased substitution on the B ring had a positive effect on antitubulin and antiproliferative activity. Among the various analogues synthesized, compounds 5d and 5e, having hydrogen-bonding donor groups at the ortho and meta-positions on the 4-methoxy phenyl B ring, are strong inhibitors of tubulin polymerization and antiproliferative agents having IC50 value in micromolar concentrations. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Colchicine, Combretastatin, Crystal, Tetrazole, Tubulin}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2013.06.004}, author = {Jedhe, Ganesh S. and Paul, Debasish and Gonnade, Rajesh G. and Santra, Manas K. and Hamel, Ernest and Tam Luong Nguyen and Sanjayan, Gangadhar J.} } @article { ISI:000312217200015, title = {Critical roles of key domains in complete adsorption of a beta peptide on single-walled carbon nanotubes: insights with point mutations and MD simulations}, journal = {Physical Chemistry Chemical Physics}, volume = {15}, number = {3}, year = {2013}, month = {NOV}, pages = {837-844}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Owing to the influence of nanomaterials on biomacromolecular behavior, their potential applications are rapidly gaining attention. Based on atomistic molecular dynamics simulation studies we have recently reported that the full-length A beta peptide, whose self-assembly is associated with Alzheimer{\textquoteright}s disease, adsorbs rapidly on single-walled carbon nanotubes, thereby losing its natural propensity to collapse. Here, we investigate the mechanistic overlap between the peptide{\textquoteright}s compactification and its adsorption, while decoupling the roles of hydrophobicity and aromaticity via point mutations. The collapse mechanism is correlated with interactions between the central hydrophobic core (HP1) and the peptide{\textquoteright}s C-terminal domain, which are almost exactly compensated by interactions arising from the nanotube after complete adsorption. Adsorption is initiated by HP1 and consolidated by strong interactions arising from the N-terminal domain. Altering the hydrophobicity, but not the aromatic character, of the central residue in HP1 decreases the collapse probability. On the other hand, the adsorption propensity is dramatically reduced when either the hydrophobicity or the aromatic character in HP1 is compromised. The hydrophobicity of HP1 is responsible for dewetting transitions that facilitate its initial interactions with the nanotube, which then lead to very favorable interactions with the nanotube.

}, issn = {1463-9076}, doi = {10.1039/c2cp42933k}, author = {Jana, Asis K. and Jose, Jaya C. and Sengupta, Neelanjana} } @article { ISI:000316859400002, title = {Crystal structure and fluorescence analysis of alkaline thermostable xylanase from bacillus sp (NCL 87-6-10)}, journal = {Protein and Peptide Letters}, volume = {20}, number = {2}, year = {2013}, month = {FEB}, pages = {125-132}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Structural information deduced from the new crystal form of xylanase from Bacillus sp (NCL 87-6-10) (ATBXYL-C) helped us to identify the active site and interpret the stability of the enzyme. The analysis of the tetragonal crystal structure of ATBXYL-C with a bound and cleaved xylotriose revealed the two glutamic acid residues in the structure that could act as nucleophile (Glu94) and base (Glu184) in the enzyme activity and also the tryptophan residues interacting with the substrate. The cleavage of xylotriose in the crystal showed xylobiose to be the major product. Intrinsic fluorescence of the enzyme showed the presence of tryptophans in partially exposed to the solvent at the active site and surface tryptophans in electropositive environment. The titration experiments with xylobiose and xylotriose revealed slightly enhanced preference for longer chain X3 compared with X2. The crystal structure also account for some of the factors, such as increased number of ionic interactions and additional interactions at the N-terminus, which contributed to increased alkalophilicity and thermostability of the enzyme.

}, keywords = {active site residues, Alkaline thermophile Bacillus xylanase (ATBXYL-C), fluorescence studies, three-dimensional structure}, issn = {0929-8665}, doi = {10.2174/092986613804725271}, author = {Satyanarayana, L. and Gaikwad, Sushama M. and Balkrishnan, H. and Suresh, C. G.} } @article { ISI:000312135500006, title = {Crystallisation of ferrous sulphate heptahydrate: experiments and modelling}, journal = {Canadian Journal of Chemical Engineering}, volume = {91}, number = {1}, year = {2013}, month = {JAN}, pages = {47-53}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Crystallisation is an industrially important unit operation for purifying and separating chemical mixtures. A generic crystallisation modelling framework has been implemented in the general process modelling system (gPROMS) software (of PSE, UK). This framework can be used to model the batch cooling crystallisation of ferrous sulphate heptahydrate (FSH). The parameter estimation and sensitivity of the predicted results with various numerical parameters was studied for batch crystalliser. An Excel front-end to the gPROMS model was developed to facilitate the interactive use of the model. (c) 2011 Canadian Society for Chemical Engineering

}, keywords = {batch crystallisation, ferrous sulphate heptahydrate, gPROMS, MSExcel-linking, parameter estimation}, issn = {0008-4034}, doi = {10.1002/cjce.20695}, author = {Shaikh, Latif and Pandit, Aniruddha and Ranade, Vivek} } @article { ISI:000319721200042, title = {CuCN-Mediated cascade cyclization of 4-(2-bromophenyl)-2-butenoates: a high-yield synthesis of substituted naphthalene amino esters}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {10}, year = {2013}, month = {MAY}, pages = {5045-5050}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new method of CuCN-mediated one-pot cyclization of 4-(2-bromophenyl)-2-butenoates leading to efficient synthesis of substituted naphthalene amino esters including phenanthrene aromatic structural units is described. Deuterium labeling studies establish that this one-pot cascade cyclization proceeds through isomerization of olefin, intramolecular C-C bond cyclization, and aromatization as the key intermediates, all occurring in a single step.

}, issn = {0022-3263}, doi = {10.1021/jo400244h}, author = {Reddy, R. Santhosh and Prasad, Pragati K. and Ahuja, Brij Bhushan and Sudalai, Arumugam} } @article { ISI:000324465000030, title = {Design, synthesis, evaluation and thermodynamics of 1-substituted pyridylimidazo[1,5-a]pyridine derivatives as cysteine protease inhibitors}, journal = {Plos One}, volume = {8}, number = {8}, year = {2013}, month = {AUG}, pages = {e69982}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Targeting papain family cysteine proteases is one of the novel strategies in the development of chemotherapy for a number of diseases. Novel cysteine protease inhibitors derived from 1-pyridylimidazo[1,5-a]pyridine representing pharmacologically important class of compounds are being reported here for the first time. The derivatives were initially designed and screened in silico by molecular docking studies against papain to explore the possible mode of action. The molecular interaction between the compounds and cysteine protease (papain) was found to be very similar to the interactions observed with the respective epoxide inhibitor (E-64c) of papain. Subsequently, compounds were synthesized to validate their efficacy in wet lab experiments. When characterized kinetically, these compounds show their K-i and IC50 values in the range of 13.75 to 99.30 mu M and 13.40 to 96.50 mu M, respectively. The thermodynamics studies suggest their binding with papain hydrophobically and entropically driven. These inhibitors also inhibit the growth of clinically important different types of Gram positive and Gram negative bacteria having MIC50 values in the range of 0.6-1.4 mu g/ml. Based on Lipinski{\textquoteright}s rule of Five, we also propose these compounds as potent antibacterial prodrugs. The most active antibacterial compound was found to be 1-(2-pyridyl)-3-(2-hydroxyphenyl)imidazo[1,5-a]pyridine (3a).

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0069982}, author = {Khan, Mohd Sajid and Baig, Mohd Hassan and Ahmad, Saheem and Siddiqui, Shapi Ahmad and Srivastava, Ashwini Kumar and Srinivasan, Kumar Venkatraman and Ansari, Irfan A.} } @article { ISI:000319417100005, title = {Design, synthesis, structural characterization by IR, 1H, 13C, 15N, 2D-NMR, X-ray diffraction and evaluation of a new class of phenylaminoacetic acid benzylidene hydrazines as pfENR inhibitors}, journal = {Chemical Biology \& Drug Design}, volume = {81}, number = {6}, year = {2013}, month = {JUN}, pages = {715-729}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Recent studies have revealed that plasmodial enoyl-ACP reductase (pfENR, FabI), one of the crucial enzymes in the plasmodial type II fatty acid synthesis II (FAS II) pathway, is a promising target for liver stage malaria infections. Hence, pfENR inhibitors have the potential to be used as causal malarial prophylactic agents. In this study, we report the design, synthesis, structural characterization and evaluation of a new class of pfENR inhibitors. The search for inhibitors began with a virtual screen of the iResearch database by molecular docking. Hits obtained from the virtual screen were ranked according to their Glide score. One hit was selected as a lead and modified to improve its binding to pfENR; from this, a series of phenylamino acetic acid benzylidene hydrazides were designed and synthesized. These molecules were thoroughly characterized by IR, 1H, 13C, 15N, 2D-NMR (COSY, NOESY, 1H-13C, 1H-15N HSQC and HMBC), and X-ray diffraction. NMR studies revealed the existence of conformational/configurational isomers around the amide and imine functionalities. The major species in DMSO solution is the E, E form, which is in dynamic equilibrium with the Z, E isomer. In the solid state, the molecule has a completely extended conformation and forms helical structures that are stabilized by strong hydrogen bond interactions, forming a helical structure stabilized by N-H...O interactions, a feature unique to this class of compounds. Furthermore, detailed investigation of the NMR spectra indicated the presence of a minor impurity in most compounds. The structure of this impurity was deduced as an imidazoline-4-one derivative based on 1H-13C and 1H-15H HMBC spectra and was confirmed from the NOESY spectra. The molecules were screened for in vitro activity against recombinant pfENR enzyme by a spectrophotometric assay. Four molecules, viz. 17, 7, 10, and 12 were found to be active at 7, 8, 10, and 12m concentration, respectively, showing promising pfENR inhibitory potential. A classification model was derived based on a binary QSAR approach termed recursive partitioning (RP) to highlight structural characteristics that could be tuned to improve activity.

}, keywords = {ADMET, docking, enoyl-ACP reductase, FabI, hydrogen bonding, NMR, phenylaminoacetic acid benzylidene hydrazine, Plasmodium falciparum, Plasmodium falciparum enoyl-ACP reductase, QSAR, recursive partitioning, X-ray diffraction}, issn = {1747-0277}, doi = {10.1111/cbdd.12118}, author = {Samal, Ramanuj P. and Khedkar, Vijay M. and Pissurlenkar, Raghuvir R. S. and Bwalya, Angela Gono and Tasdemir, Deniz and Joshi, Ramesh A. and Rajamohanan, P. R. and Puranik, Vedavati G. and Coutinho, Evans C.} } @article { ISI:000319335700004, title = {Detection and knockdown of MicroRNA-34a using thioacetamido nucleic acid}, journal = {Nucleic Acid Therapeutics}, volume = {23}, number = {3}, year = {2013}, month = {JUN}, pages = {195-202}, publisher = {MARY ANN LIEBERT INC}, address = {140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA}, abstract = {

Thioacetamido nucleic acids (TANA) contain a backbone modification of dinucleotides consisting of a 5-atom amide linker N3{\textquoteright}-COCH2-S-CH2 at thymidine or thymidine-cytidine dimer blocks. Here, the chemical synthesis of the TANA linked 5-methyl-cytidine-cytidine ((Me)cc) dimer block and its incorporation into the DNA sequence, complementary to human microRNA 34 (miR-34) is described. Further, for the first time, we demonstrate the biological applications of TANA modified oligonucleotides in detection and intracellular knockdown of a cancer related microRNA in comparison with DNA containing locked nucleic acid (LNA) and 2{\textquoteright}-O-methyl modifications. The human microRNA miR-34 is a pro-apoptotic microRNA under the transcriptional control of protein 53 (p53). It gets expressed in response to DNA damage and regulates several cell cycle and apoptosis related targets. Here, we show that the TANA modified antisense oligonucleotide binds specifically to miR-34a, allowing its detection using primer extension. We also show that, using the TANA modified antisense oligonucleotide against miR-34a, intracellular levels of miR-34 can be reduced, and consequently, the expression of its target oncogene V-myc myelocytomatosis viral related oncogene, neuroblastoma derived (MYCN) is enhanced. Further, we assessed the toxicity and serum stability of the oligonucleotide to conclude that it is suitable for detection and modulation of the vital biomarker and tumor suppressor microRNA.

}, issn = {2159-3337}, doi = {10.1089/nat.2012.0411}, author = {Soni, Kartik and Gupta, Shivani and Gokhale, Sachin S. and Dey, Rakesh and Gunjal, Anita D. and Kumar, Vaijayanti A. and Pillai, Beena} } @article {43074, title = {Development and validation of a sensitive bioanalytical method for the determination of sumatriptan in rat plasma by UPLC-MS}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {5}, year = {2013}, month = {AUG}, pages = {78-82}, author = {Kumbhar, Amruta B. and Galgatte, Upendra C. and Warkad, Shrikant D. and Santhakumari, B.} } @article { ISI:000313812400012, title = {Development of a multifunctional catalyst for a {\textquoteleft}{\textquoteleft}relay{\textquoteright}{\textquoteright} reaction}, journal = {RSC Advances}, volume = {3}, number = {7}, year = {2013}, month = {DEC}, pages = {2186-2191}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In the area of catalysis, nanoparticles and enzymes are two of the most important systems. By amalgamating the two, we present here proof of the concept that it is possible to prepare a multifunctional catalyst that can carry out a {\textquoteleft}{\textquoteleft}relay{\textquoteright}{\textquoteright} reaction. The catalyst consists of a surface bound enzyme on a metal(core)-silica(shell) nanoparticle architecture. Here the enzyme catalyzes the 1st reaction and the metal nanoparticles act as a catalyst for the 2nd reaction of the product from the 1st reaction. In particular, we have studied the catalytic activity of glucosidase grafted Au@mSiO(2) on 4-nitrophenyl-beta-glucopyranoside, where glucosidase will catalyse the 1st step to generate 4-nitrophenol, which acts as a substrate for the next reduction step which is catalysed by the Au nanoparticles present inside the mesoporous silica shell.

}, issn = {2046-2069}, doi = {10.1039/c2ra22829g}, author = {Ganai, Anal Kumar and Shinde, Pravin and Dhar, Basab B. and Sen Gupta, Sayam and Bhagavatula L. V. Prasad} } @article { ISI:000319645000009, title = {Direct synthesis of amides from amines using mesoporous Mn-SBA-12 and Mn-SBA-16 catalysts}, journal = {Catalysis Communications}, volume = {37}, year = {2013}, month = {JUL}, pages = {36-40}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Manganese incorporated SBA-12 and SBA-16 catalyze the tandem reaction of aliphatic primary amine, aerial oxygen and ammonia solution at moderate conditions producing amide in yields as high as 50 mol\%. The Mn-SBA-12 and Mn-SBA-16 catalysts with Si/Mn output molar ratio in the range 230 to 748 were prepared by the direct hydrothermal synthesis method and characterized. Weak acidity and Mn in +3 oxidation state are the key factors enable the synthesis of product amide in high yields. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Aerial oxidation, Amide synthesis, Benzyl amine, Manganese incorporated SBA-12 and SBA-16, Mesoporous Mn-silica catalyst}, issn = {1566-7367}, doi = {10.1016/j.catcom.2013.03.020}, author = {Kumar, Anuj and Nepak, Devadutta and Srinivas, Darbha} } @article { ISI:000315013200017, title = {Disordered mesoporous V/TiO2 system for ambient oxidation of sulfides to sulfoxides}, journal = {Applied Catalysis A-General}, volume = {452}, year = {2013}, month = {FEB}, pages = {132-138}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

High sulfide conversion and predominant sulfoxide yield has been observed with 0.1\% vanadium doped disordered mesoporous Ti1-xVxO2 material at ambient and sub ambient temperatures using environmentally green H2O2 oxidant. Ti1-xVxO2 materials were prepared by one-pot solution combustion method in less than 15 min and thoroughly characterized by X-ray diffraction, HRTEM, Raman spectra and other physicochemical techniques. Different sulfides, such as, phenylsulfide, methyl-p-tolylsulfide, ethylsulfide, thioanisole, were converted into the corresponding sulfoxide. Isolated V5+ incorporated in the TiO2 lattice is likely to be the active species for the sulfide oxidation reaction. Catalyst recycling studies indicates the robustness of the catalyst. (c) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Ambient oxidation, Combustion synthesis, heterogeneous catalysis, Hydrogen peroxide, Mesoporous TiO2, Sulfoxidation, Sulfoxide}, issn = {0926-860X}, doi = {10.1016/j.apcata.2012.11.035}, author = {Negi, Sanjay Singh and Sivaranjani, Kumarsrinivasan and Singh, Anand Pal and Gopinath, Chinnakonda S.} } @article { ISI:000317349300004, title = {Do protic ionic liquids and water display analogous behavior in terms of hammett acidity function?}, journal = {Chemical Physics Letters}, volume = {566}, year = {2013}, month = {APR}, pages = {12-16}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We address an issue whether the strength of carboxylic acids in water is linear with respect to that in ionic liquids. Strength of carboxylic acids in water and different PILs using Hammett function (Ho) has revealed interesting linear correlation between the Ho function for all acids in PILs and PIL-water in spite of large structural and electronic differences. These observations suggest that different structural and electronic features of PILs and water behave analogously towards Ho. This linearity in Ho functions between PILs and PIL-water systems can be used to develop predictive method to calculate Ho values. (c) 2013 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2013.02.029}, author = {Shukla, Shashi Kant and Kumar, Anil} } @article { ISI:000318901000001, title = {Draft genome of ochrobactrum intermedium strain M86 isolated from non-ulcer dyspeptic individual from India}, journal = {GUT Pathogens}, volume = {5}, year = {2013}, month = {APR}, pages = {7}, publisher = {BIOMED CENTRAL LTD}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: Ochrobactrum intermedium is an emerging opportunistic pathogen of humans that is closely related to members of the genus Brucella. Earlier, we reported the case of an Indian subject with non-ulcer dyspeptic symptoms whose urease positive gastric biopsy revealed the presence of Helicobacter pylori along with non-Helicobacter like bacteria, eventually cultured and identified as O. intermedium strain M86. Results: Here, we describe the unclosed draft genome of the strain M86 with a length of 5,188,688 bp and mean G+C content of 57.9\%. We have also identified many putative gene clusters that might be responsible for its persistence in the gastric mucosa. Comparative analysis of genomic features of Ochrobactrum intermedium strain M86 and Ochrobactrum intermedium LMG 3301(T) was also done. Conclusions: This paper attempts to gain whole-genome based insights into the putative gene determinants of O. intermedium for survival in the highly acidic stomach lumen environment. Identification of genes putatively involved in the various metabolic pathways may lead to a better understanding of the survival of O. intermdedium in acidic condition.

}, issn = {1757-4749}, doi = {10.1186/1757-4749-5-7}, author = {Kulkarni, Girish and Dhotre, Dhiraj and Dharne, Mahesh S. and Shetty, Sudarshan and Chowdhury, Somak and Misra, Vatsala and Misra, Sriprakash and Patole, Milind and Shouche, Yogesh} } @article {43384, title = {Drug targets and biomarker identification from computational study of human notch signaling pathway}, journal = {Clinical and Experimental Pharmacology and Physiology}, volume = {3}, year = {2013}, month = {OCT}, abstract = {Notch signaling pathway is widely implicated in controlling various cellular functions, cell fate determination, and stem cell renewal in human but aberrant activity in cancer stem cells may cause different types of cancers. Understanding the complexity of this pathway to identify important targets for cancer therapy and to suppress the pathway activity without affecting the normal functions is of utmost importance to clinical and experimental pharmacologists. For developing therapeutic strategy, non availability of detailed molecular interactions, complex regulations and cross talks with other pathways pose a serious challenge to get a coherent understanding of this pathway. This motivated us to reconstruct the largest human cell specific Notch pathway with more number of molecules and interactions available from literatures and databases. To identify probable drug targets and biomarkers for cancer prognosis, we also performed computational study of the pathway using structural and logical analysis and identified important hub proteins, cross talks and feedback mechanisms. The model simulation is validated using reported mRNA expression profile in Glioblastoma cell line and the predictions not only show significant accuracy but also able to identify the undetermined expressions. From our simulation, to identify novel combinations of drug targetable proteins and better substitute for GAMMA SECRETASE inhibition, we proposed two alternative scenarios: partial suppression of Notch target proteins by NICD1 \& HIF1A; and complete suppression by NICD1 \& MAML, in Glioblastoma cell line. This reconstructed Notch signaling pathway and the computational analysis for identifying new biomarkers and combinatory drug targets will be useful for future in-vitro and in-vivo analysis to control different cancers}, doi = {10.4172/2161-1459.1000137}, author = {Chowdhury, Saikat and Sarkar, Ram Rup} } @article { ISI:000317909500043, title = {Dual action of BPC194: a membrane active peptide killing bacterial cells}, journal = {Plos One}, volume = {8}, number = {4}, year = {2013}, month = {APR}, pages = {e61541}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Membrane active peptides can perturb the lipid bilayer in several ways, such as poration and fusion of the target cell membrane, and thereby efficiently kill bacterial cells. We probe here the mechanistic basis of membrane poration and fusion caused by membrane-active, antimicrobial peptides. We show that the cyclic antimicrobial peptide, BPC194, inhibits growth of Gram-negative bacteria and ruptures the outer and inner membrane at the onset of killing, suggesting that not just poration is taking place at the cell envelope. To simplify the system and to better understand the mechanism of action, we performed Forster resonance energy transfer and cryogenic transmission electron microscopy studies in model membranes and show that the BPC194 causes fusion of vesicles. The fusogenic action is accompanied by leakage as probed by dual-color fluorescence burst analysis at a single liposome level. Atomistic molecular dynamics simulations reveal how the peptides are able to simultaneously perturb the membrane towards porated and fused states. We show that the cyclic antimicrobial peptides trigger both fusion and pore formation and that such large membrane perturbations have a similar mechanistic basis.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0061541}, author = {Moiset, Gemma and Cirac, Anna D. and Stuart, Marc C. A. and Marrink, Siewert-Jan and Sengupta, Durba and Poolman, Bert} } @article { ISI:000316451500010, title = {Easy and multigram-scale synthesis of pillar[5]quinone by the hypervalent iodine oxidation of 1,4-dimethoxypillar[5]arene}, journal = {Synthesis-Stuttgart}, volume = {45}, number = {7}, year = {2013}, month = {APR}, pages = {896-898}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Pillar[5]quinone (P[5]Q), a potential molecule for anion recognition and supramolecular host-guest chemistry, has not as yet been used for practical purposes, presumably due to the synthetic difficulties in obtaining it in large amounts. Herein, we reveal an easy-to-operate and chromatography-free synthetic strategy that can furnish P[5]Q on a multigram scale; its success relies on the utility of hypervalent iodine, generated in situ from Oxone/ iodobenzene, as an efficient oxidant. Pillar[5]quinone was obtained in multigram quantities by oxidation of 1,4-dimethoxypillar[5]arene with Oxone/iodobenzene and simple purification by crystallization from 1,1,2,2-tetrachloroethane, thus opening up the opportunity to explore the properties of this interesting macrocyclic quinone.

}, keywords = {hypervalent iodine oxidation, macromolecules, pillar-arenes, supramolecular chemistry}, issn = {0039-7881}, doi = {10.1055/s-0032-1318390}, author = {Shivakumar, Kilingaru I. and Sanjayan, Gangadhar J.} } @article { ISI:000323590200007, title = {Effect of carbon dioxide pressure on 4-t-butylphenol hydrogenation activity of supported rhodium catalyst}, journal = {Journal of the Japan Petroleum Institute}, volume = {56}, number = {3}, year = {2013}, month = {MAY}, pages = {165-170}, publisher = {JAPAN PETROLEUM INST}, address = {YOYU-KANDA BLDG. 4F, 1-8-4 KANDASUDA-CHO, CHIYODA-KU, TOKYO, 108-0041, JAPAN}, abstract = {

Hydrogenation of 4-t-butylphenol over an activated carbon-supported rhodium catalyst in carbon dioxide solvent was analyzed based on phase observation with a view cell and calculations of the solubility of 4-t-butylphenol using the Peng-Robinson equation of state as a function of carbon dioxide pressure. The reaction experiments showed that the initial reaction rate of 4-t-butylphenol at 313 K under 2 MPa of hydrogen pressure was increased by the addition of carbon dioxide, especially above a total pressure of 11 MPa. Direct visual observation showed that the solubility of 4-t-butylphenol increased with higher carbon dioxide pressure. The calculations based on the Peng-Robinson equation of state also showed that the solubility of 4-t-butylphenol in the 4-t-butylphenol carbon dioxide hydrogen (2 MPa) system at 313 K significantly increased by addition of carbon dioxide above a total pressure of 11 MPa. We concluded that the increase in the hydrogenation rates was caused by the increased concentration of 4-t-butylphenol substrate in the carbon dioxide solvent.

}, keywords = {4-t-Butylphenol hydrogenation, Carbon dioxide solvent, Peng-Robinson equation, Rhodium catalyst, Supercritical fluid}, issn = {1346-8804}, author = {Hiyoshi, Norihito and Sato, Osamu and Yamaguchi, Aritomo and Rode, Chandrashekhar V. and Shirai, Masayuki} } @article { ISI:000315548100030, title = {Effect of foulants on arsenic rejection via polyacrylonitrile ultrafiltration (UF) membrane}, journal = {Desalination}, volume = {309}, year = {2013}, month = {JAN}, pages = {243-246}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Arsenic rejection via modified polyacrylonitrile ultrafiltration (UF) membrane was found to be very high, however, the presence of commonly found foulants in arsenic solution affected membrane performance. The effect of commonly found foulants, such as ovalbumin, humic acid and egg white on arsenic rejection were studied. Experiments indicated that the As(V) rejection was affected by the total quantity of proteins and not the variety of proteins present in a solution. As(V) rejection was found to decrease with increasing proteins while fouling was found to increase from 25\% for 0.1 mg/ml to 33\% for 0.5 mg/ml egg white. The As(V) rejection was found to decrease with increasing concentration of humic acid for PAN membranes. Fouling studies showed that humic acid was a lesser foulant in comparison to egg white. However a combination of the two foulants led to a decrease in the overall fouling. pH was also found to be a very important factor for egg white dissolution and As(V) rejection. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Arsenic rejection, Egg white, Humic acid, Ovalbumin, Polyacrylonitrile, Ultrafiltration}, issn = {0011-9164}, doi = {10.1016/j.desal.2012.10.023}, author = {Agarwal, Gopal P. and Karan, Raj and Bharti, Sachin and Kumar, Hemant and Jhunjhunwala, Sumit and Sreekrishnan, T. R. and Kharul, Ulhas K.} } @article { ISI:000317082100007, title = {Effective fragment potential method in Q-CHEM: a guide for users and developers}, journal = {Journal of Computational Chemistry}, volume = {34}, number = {12}, year = {2013}, month = {MAY}, pages = {1060-1070}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A detailed description of the implementation of the effective fragment potential (EFP) method in the Q-CHEM electronic structure package is presented. The Q-CHEM implementation interfaces EFP with standard quantum mechanical (QM) methods such as HartreeFock, density functional theory, perturbation theory, and coupled-cluster methods, as well as with methods for electronically excited and open-shell species, for example, configuration interaction, time-dependent density functional theory, and equation-of-motion coupled-cluster models. In addition to the QM/EFP functionality, a fragment-only feature is also available (when the system is described by effective fragments only). To aid further developments of the EFP methodology, a detailed description of the C++ classes and EFP module{\textquoteright}s workflow is presented. The EFP input structure and EFP job options are described. To assist setting up and performing EFP calculations, a collection of Perl service scripts is provided. The precomputed EFP parameters for standard fragments such as common solvents are stored in Q-CHEM{\textquoteright}s auxiliary library; they can be easily invoked, similar to specifying standard basis sets. The instructions for generating user-defined EFP parameters are given. Fragments positions can be specified by their center of mass coordinates and Euler angles. The interface with the IQMOL and WEBMO software is also described. (c) 2013 Wiley Periodicals, Inc.

}, keywords = {effective fragment potential, EFP library, hybrid QM, IQMOL, MM, modular code, nonempirical force field, Q-CHEM, WEBMO}, issn = {0192-8651}, doi = {10.1002/jcc.23223}, author = {Ghosh, Debashree and Kosenkov, Dmytro and Vanovschi, Vitalii and Flick, Joanna and Kaliman, Ilya and Shao, Yihan and Gilbert, Andrew T. B. and Krylov, Anna I. and Slipchenko, Lyudmila V.} } @article { ISI:000326745100016, title = {Efficient, direct synthesis of dimethyl carbonate from CO2 using a solid, calcined zirconium phenylphosphonate phosphite catalyst}, journal = {RSC Advances}, volume = {3}, number = {46}, year = {2013}, month = {OCT}, pages = {23993-23996}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Direct synthesis of dimethyl carbonate (DMC) from CO2 and methanol with 100 mol\% selectivity using a solid, reusable, hydrophobic, calcined zirconium phenylphosphonate phosphite catalyst is reported for the first time. DMC yield as high as 26 mmol g(-1) catalyst correlated with the concentration of acid and base sites is obtained.

}, issn = {2046-2069}, doi = {10.1039/c3ra44368j}, author = {Unnikrishnan, Pulikkeel and Varhadi, Poonam and Srinivas, Darbha} } @article { ISI:000315209900016, title = {Electrochemical resolution of multiple redox events for graphene quantum dots}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {9}, year = {2013}, month = {JAN}, pages = {2482-2485}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {charging energy, differential pulse voltammetry, graphene, quantum dots, single-electron transfer}, issn = {1433-7851}, doi = {10.1002/anie.201208904}, author = {Shinde, Dhanraj B. and Pillai, Vijayamohanan K.} } @article { ISI:000325642400017, title = {Electrophile induced branching cascade: a powerful approach to access various molecular scaffolds and their exploration as novel anti-mycobacterial agents}, journal = {Chemical Communications}, volume = {49}, number = {86}, year = {2013}, month = {SEP}, pages = {10109-10111}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein we report on the Electrophile Induced Branching Cascade (EIBC), a new technique to produce a variety of biologically important molecular scaffolds. Some compounds exhibit excellent activities against Mycobacterium smegmatis.

}, issn = {1359-7345}, doi = {10.1039/c3cc45289a}, author = {Patil, Nitin T. and Konala, Ashok and Sravanti, Sudha and Singh, Ashita and Ummanni, Ramesh and Sridhar, Balasubramanian} } @article { ISI:000325950600096, title = {Enantiodivergent routes to (+) and (-)-novioses from (-)-pantolactone}, journal = {RSC Advances}, volume = {3}, number = {43}, year = {2013}, month = {AUG}, pages = {20291-20297}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Noviose, a rare sugar moiety present in many biologically interesting molecules such as novobiocin and tiacumicin was obtained through formal synthesis in (+)- and (-)-forms starting from commercially available (-)-pantolactone in an enantiodivergent manner.

}, issn = {2046-2069}, doi = {10.1039/c3ra42891e}, author = {Rajesh, B. M. and Shinde, Madhuri V. and Kannan, M. and Srinivas, Gujjary and Iqbal, Javed and Reddy, D. Srinivasa} } @article { ISI:000323644600048, title = {Enhanced dual-effect of adsorption and photodegradation of SiO2 embedded TiO2 hybrid catalyst for improved decolourization of methylene blue}, journal = {Water Air and Soil Pollution}, volume = {224}, number = {9}, year = {2013}, month = {SEP}, pages = {1726}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Dual-effects of adsorption and photodegradation over titania, silica embedded titania, silica and commercial Degussa P-25 samples were studied for the decolourization of methylene blue in aqueous medium. Silica embedded titania and silica were prepared using inexpensive polymeric version of ethyl silicate as a source of silica. Catalysts were characterized by X-ray diffraction, scanning electron microscopy, UV-Vis spectroscopy and low temperature (77 K) nitrogen adsorption measurements. Among all the catalysts, silica embedded titania has exhibited faster decolourization of methylene blue solution on account of the enhancement of adsorption followed by degradation. An amount of the catalyst and the initial dye concentration of MB solution were found to influence the decolourization activity. Compared to titania catalyst, silica embedded titania and Degussa P-25 have shown the red shift in their UV-Vis spectrum. The experimental data of the reaction fitted well to the pseudo first order kinetic model. In present studies, the adsorption mechanism for the decolourization of MB solution was found to be applicable for an intra particle diffusion model.

}, keywords = {Adsorption, kinetic model, Methylene blue, Photodegradation, Silica embedded titania}, issn = {0049-6979}, doi = {10.1007/s11270-013-1726-7}, author = {Sonar, Shilpa K. and Wagh, Reshma V. and Niphadkar, Prashant S. and Joshi, Praphulla N. and Deshpande, Shilpa S. and Awate, Shobhana V.} } @article { ISI:000327410300055, title = {Enhancement of chemical stability and crystallinity in porphyrin-containing covalent organic frameworks by intramolecular hydrogen bonds}, journal = {Angewandte Chemie-International Edition}, volume = {52}, number = {49}, year = {2013}, month = {DEC}, pages = {13052-13056}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {covalent organic frameworks, hydrogen bonds, mesoporous materials, porphyrinoids, tautomerism}, issn = {1433-7851}, doi = {10.1002/anie.201306775}, author = {Kandambeth, Sharath and Shinde, Digambar Balaji and Panda, Manas K. and Lukose, Binit and Heine, Thomas and Banerjee, Rahul} } @article { ISI:000328182900006, title = {Ester vs. amide on folding: a case study with a 2-residue synthetic peptide}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {48}, year = {2013}, month = {DEC}, pages = {8348-8356}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Although known for their inferiority as hydrogen-bonding acceptors when compared to amides, esters are often found at the C-terminus of peptides and synthetic oligomers (foldamers), presumably due to the synthetic readiness with which they are obtained using protected peptide coupling, deploying amino acid esters at the C-terminus. When the H-bonding interactions deviate from regularity at the termini, peptide chains tend to {\textquoteleft}{\textquoteleft}fray apart{\textquoteright}{\textquoteright}. However, the individual contributions of C-terminal esters in causing peptide chain end-fraying goes often unnoticed, particularly due to diverse competing effects emanating from large peptide chains. Herein, we describe a striking case of a comparison of the individual contributions of C-terminal ester vs. amide carbonyl as a H-bonding acceptor in the folding of a peptide. A simple two-residue peptide fold has been used as a testing case to demonstrate that amide carbonyl is far superior to ester carbonyl in promoting peptide folding, alienating end-fraying. This finding would have a bearing on the fundamental understanding of the individual contributions of stabilizing/destabilizing non-covalent interactions in peptide folding.

}, issn = {1477-0520}, doi = {10.1039/c3ob41967c}, author = {Vijayadas, Kuruppanthara N. and Nair, Roshna V. and Gawade, Rupesh L. and Kotmale, Amol S. and Prabhakaran, Panchami and Gonnade, Rajesh G. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000326126000033, title = {Exclusion from hexagonal mesophase surfactant domains drives end-to-end enchainment of rod-like particles}, journal = {Journal of Physical Chemistry B}, volume = {117}, number = {41}, year = {2013}, month = {OCT}, pages = {12661-12668}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Anisotropic rod-like particles assemble end-to-end when the surfactant/water matrix in which they are dispersed is cooled from the isotropic to the lyotropic hexagonal phase. We demonstrate the formation of such end-to-end assemblies for gold nanorods, which are tens of nanometers in size, as well as for micrometer-sized ellipsoidal polystyrene particles. In both cases, the particles are well-dispersed in the low-viscosity surfactant/water phase above the isotropic-H-1 transition temperature. On cooling into the H-1 phase, mesophase domains form and the particles are expelled to the isotropic phase. As the H-1 domains grow and finally impinge, the particles are localized at the domain boundaries where they reorient and assemble end-to-end. Remarkably, we observe the formation of end-to-end assemblies of gold nanorods even for volume fractions as low as 2 x 10(-6) in the initially dispersed state. The extent of particle {\textquoteleft}{\textquoteleft}enchainment{\textquoteright}{\textquoteright} increases with the particle concentration and with the aspect ratio of the particles.

}, issn = {1520-6106}, doi = {10.1021/jp407403a}, author = {Sharma, Kamendra P. and Ganai, Anal Kumar and Sen, Debasis and Bhagavatula L. V. Prasad and Kumaraswamy, Guruswamy} } @article { ISI:000317545600006, title = {Extracellular biosynthesis of CdTe quantum dots by the fungus fusarium oxysporum and their anti-bacterial activity}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {106}, year = {2013}, month = {APR}, pages = {41-47}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The growing demand for semiconductor [quantum dots (Q-dots)] nanoparticles has fuelled significant research in developing strategies for their synthesis and characterization. They are extensively investigated by the chemical route; on the other hand, use of microbial sources for biosynthesis witnessed the highly stable, water dispersible nanoparticles formation. Here we report, for the first time, an efficient fungal-mediated synthesis of highly fluorescent CdTe quantum dots at ambient conditions by the fungus Fusarium oxysporum when reacted with a mixture of CdCl2 and TeCl4. Characterization of these biosynthesized nanoparticles was carried out by different techniques such as Ultraviolet-visible (UV-Vis) spectroscopy, Photoluminescence (PL), X-ray Diffraction (XRD), X-ray Photoelectron spectroscopy (XPS), Transmission Electron Microscopy (TEM) and Fourier Transformed Infrared Spectroscopy (FTIR) analysis. CdTe nanoparticles shows antibacterial activity against Gram positive and Gram negative bacteria. The fungal based fabrication provides an economical, green chemistry approach for production of highly fluorescent CdTe quantum dots. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {antibacterial activity, Biosynthesis, CdTe, Fungus, Nanoparticles}, issn = {1386-1425}, doi = {10.1016/j.saa.2013.01.002}, author = {Syed, Asad and Ahmad, Absar} } @article { ISI:000316812800023, title = {Facile strategy for synthesis of ,-heterobifunctionalized poly (epsilon-caprolactones) and poly (methyl methacrylate)s containing {\textquoteleft}{\textquoteleft}clickable{\textquoteright}{\textquoteright} aldehyde and allyloxy functional groups using initiator approach}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {51}, number = {9}, year = {2013}, month = {MAY}, pages = {2091-2103}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Two new initiators, namely, 4-(4-(2-(4-(allyloxy) phenyl)-5-hydroxypentane 2-yl) phenoxy)benzaldehyde and 4-(4-(allyloxy) phenyl)-4-(4-(4-formylphenoxy) phenyl) pentyl 2-bromo-2-methyl propanoate containing clickable hetero-functionalities namely aldehyde and allyloxy were synthesized starting from commercially available 4,4-bis(4-hydroxyphenyl) pentanoic acid. These initiators were utilized, respectively, for ring opening polymerization of epsilon-caprolactone and atom transfer radical polymerization of methyl methacrylate. Well-defined -aldehyde, -allyloxy heterobifunctionalized poly(epsilon-caprolactones) (Mn,GPC: 590029,000, PDI: 1.261.43) and poly(methyl methacrylate)s (Mn,GPC: 530028800, PDI: 1.191.25) were synthesized. The kinetic study of methyl methacrylate polymerization demonstrated controlled polymerization behavior. The presence of aldehyde and allyloxy functionality on polymers was confirmed by 1H NMR spectroscopy. Aldehyde-aminooxy and thiol-ene metal-free double click strategy was used to demonstrate reactivity of functional groups on polymers. (c) 2013 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2013, 51, 2091-2103

}, keywords = {atom transfer radical polymerization, Click chemistry, functional polymers, ring opening polymerization}, issn = {0887-624X}, doi = {10.1002/pola.26598}, author = {Sane, Prakash S. and Tawade, Bhausaheb V. and Parmar, Indravadan and Kumari, Savita and Nagane, Samadhan and Wadgaonkar, Prakash P.} } @article { ISI:000314931900004, title = {Fine control of nanoparticle sizes and size distributions: temperature and ligand effects on the digestive ripening process}, journal = {Nanoscale}, volume = {5}, number = {5}, year = {2013}, month = {OCT}, pages = {1768-1771}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

It is demonstrated that a fine control over the size and size distribution of nanoparticles could be achieved using digestive ripening at different temperatures. Such variations in size and size distributions hugely influence the self-assembled processes in nanoparticles, and result in superlattice structures that are controlled by subtle interplay between ligand orientational entropy and their interdigitation and the van der Waals attraction between the metal cores.

}, issn = {2040-3364}, doi = {10.1039/c2nr32855k}, author = {Sahu, Puspanjali and Bhagavatula L. V. Prasad} } @article {42490, title = {First demonstration of two-step FRET in a synthetic supramolecular assembly}, journal = {Chemical Science}, volume = {4}, year = {2013}, month = {MAR}, pages = {2380-2386}, abstract = {

We report a trichromophoric pseudorotaxane (3NPC) that demonstrates a two-step FRET-based relay comprising of primary donor{\textendash}primary acceptor/secondary donor{\textendash}secondary acceptor pairs. To achieve this, naphthalene (1) and coumarin (3) were used as the primary donor and secondary acceptor, respectively; while pyrene (2 or T) unit, having spectral overlap with both 1 and 3, was used as the primary acceptor as well as the secondary donor. Results of time resolved and steady-state emission studies reveal that sequential resonance energy transfer (FRET 1 {\textrightarrow} 2 {\textrightarrow} 3) and direct resonance energy transfer (FRET 1 {\textrightarrow} 3) processes are operational simultaneously. In the sequential energy transfer process (1 {\textrightarrow} 2 {\textrightarrow} 3) of the triad system, pyrene acts as a transmitter and makes the whole supramolecular assembly behave as a linear energy transferring wire. Sensitised emission of the coumarin moiety, i.e. the secondary and eventual final acceptor, offers the possibility of evaluating the performance of this linear trichromophoric system by one and two-step FRET mechanisms. Formation of an interwoven complex between the host (NCC24O8) and the guest (T) components, utilizing various non-bonding interactions (intercomponent [N+{\textendash}H...O], [C{\textendash}H...O] and π{\textendash}π stacking interactions) has been confirmed by 1H NMR studies in solution and a single crystal X-structural study in the solid state. The formation constant (Kf = 2.31 {\texttimes} 103 M-1) for the [2]pseudorotaxane was evaluated using isothermal titration calorimetric studies. The complex gives rise to the first crystal structure of a self-assembled [2]pseudorotaxane that demonstrates sequential two-step FRET based energy transfer in a self-assembled triad that is held in an assembly through non-covalent interactions, such as hydrogen bonding and π{\textendash}π stacking.

}, doi = {10.1039/C3SC50282A}, author = {Suresh, Moorthy and Mandal, Amal Kumar and Suresh, E. and Das, Amitava} } @article { ISI:000328864800072, title = {First total synthesis of hunanamycin A}, journal = {Organic Letters}, volume = {15}, number = {17}, year = {2013}, month = {SEP}, pages = {4556-4559}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The first total synthesis of hunanamycin A, an antibiotic natural product with a pyrido[1,2,3-de]quinoxaline-2,3-dione core from a marine-derived Bacillus hunanensis, is disclosed. The present effort provides access to sufficient amounts of scarce hunanamycin A for further biological evaluation and confirmation of the assigned absolute configuration. In addition, four new analogues of the natural product are reported.

}, issn = {1523-7060}, doi = {10.1021/ol402110e}, author = {Shingare, Rahul D. and Velayudham, R. and Gawade, Jalindar R. and Reddy, D. Srinivasa} } @article { ISI:000327812300097, title = {Fluorescent cross-linked polystyrene perylenebisimide/oligo(p-phenylenevinylene) microbeads with controlled particle size, tunable colors, and high solid state emission}, journal = {ACS Applied Materials \& Interfaces}, volume = {5}, number = {22}, year = {2013}, month = {NOV}, pages = {12205-12214}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A series fo cross-linked fluorescent polystyrene (PS) microbeads with narrow size distribution and intense solid state emission was developed. Fluorophores based on perylene bisimide (PBI) and oligo(p-phenylenevinylene) (OPV) designed as acrylic cross-linkers were introduced into the polymerization recipe in a twostage dispersion polymerization, carried out in ethanol in the presence of poly(vinylpyrrolidone) (PVP) as stabilizer. The structural design permitted introduction of up to 10(-5) moles of the fluorophores into the polymerization medium without fouling of the dispersion. The particle size measured using dynamic light scattering (DLS) indicated that they were nearly monodisperse with size in the range 2-3 mu m depending on the amount of fluorophore incorporated. Fluorescence microscope images of ethanol dispersion of the sample exhibited intense orange red emission for PS-PBI-X series and green emission for PS-OPV-X series. A PS incorporated with both OPVX and PBIX exhibited dual emission upon exciting at the OPV wavelength of 350 nm and PBI wavelength of 490 nm, respectively. The low incorporation of fluorophore resulted in almost complete absence of aggregation induced reduction in fluorescence as well as red-shifted aggregate emission. The solid state emission quantum yield measured using integrating-sphere setup indicated a very high quantum yield of phi(powder) = 0.71 for PSOPV-X and phi(powder) = 0.25 for PS-PBI-X series. The cross-linked PS microbeads incorporating both OPV and PBI chromophores had a phi(powder) = 0.33 for PBI emission and phi(powder) = 0.20 for OPV emission. This strategy of introducing fluorophore as crosslinkers into the PS backbone is very versatile and amenable to simultaneous addition of different suitably designed fluorophores emitting at different wavelengths.

}, keywords = {dispersion polymerization, dual emission, fluorescent cross-linker, oligo(p-phenylenevinylene), Perylenebisimide, solid state fluorescence}, issn = {1944-8244}, doi = {10.1021/am404354q}, author = {Sonawane, Swapnil L. and Asha, S. K.} } @article { ISI:000316691100012, title = {Fluorescent sophorolipid molecular assembly and its magnetic nanoparticle loading: a pulsed laser process}, journal = {Green Chemistry}, volume = {15}, number = {4}, year = {2013}, month = {JAN}, pages = {943-953}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report realization of strong green fluorescence in a fully biocompatible highly spherical mesoscale molecular assembly of sophorolipid created by pulsed UV laser processing of a water-based dispersion of sophorolipid. Remarkably, the said fluorescence is totally absent in the original molecule of sophorolipid and is thus the property of the pulsed laser induced modifications in the molecule and the assembly. We have separately examined the consequences of laser irradiation for glucose and oleic acid components which form the sophorolipid. This fluorescence character appears to be driven by the oleic acid component while the assembly process is assisted by the glucose component. Importantly the laser synthesized mesostructures can be easily redispersed in an aqueous medium after being dried and can also be loaded with magnetic nanoparticles (magnetite) for inducing the hyperthermia effect.

}, issn = {1463-9262}, doi = {10.1039/c3gc40108a}, author = {Singh, Pradeep Kumar and Mukherji, Ruchira and Joshi-Navare, Kasturi and Banerjee, Abhik and Gokhale, Rohan and Nagane, Satyawan and Prabhune, Asmita and Ogale, Satishchandra} } @article {42701, title = {Formation of tertiary amides and H2 by dehydrogenative coupling of primary alcohols with secondary amines catalyzed by ruthenium bipyridine-based pincer complexes}, journal = {Advanced Synthesis \& Catalysis}, volume = {355}, year = {2013}, month = {SEP}, pages = {2525{\textendash}2530}, abstract = {

Dehydrogenative coupling of primary alcohols with secondary amines to form tertiary amides and dihydrogen (H2) is efficiently catalyzed by bipyridyl-based ruthenium pincer complexes (0.2{\textendash}1 mol\%) under neutral conditions (in case of the dearomatized complexes), or with added catalytic amount of base. The reaction is sensitive to steric hindrance; in the case of amidation of bulky secondary amines a less sterically hindered complex is more efficient. Selective acylation of primary amines in the presence of secondary amines was also demonstrated.

}, doi = {10.1002/adsc.201300620}, author = {Srimani, Dipankar and Balaraman, Ekambaram and Hu, Peng and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000313165500067, title = {Functional characterization, homology modeling and docking studies of beta-glucosidase responsible for bioactivation of cyanogenic hydroxynitrile glucosides from Leucaena leucocephala (subabul)}, journal = {Molecular Biology Reports}, volume = {40}, number = {2}, year = {2013}, month = {FEB}, pages = {1351-1363}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Glycosyl hydrolase family 1 beta-glucosidases are important enzymes that serve many diverse functions in plants including defense, whereby hydrolyzing the defensive compounds such as hydroxynitrile glucosides. A hydroxynitrile glucoside cleaving beta-glucosidase gene (Llbglu1) was isolated from Leucaena leucocephala, cloned into pET-28a (+) and expressed in E. coli BL21 (DE3) cells. The recombinant enzyme was purified by Ni-NTA affinity chromatography. The optimal temperature and pH for this beta-glucosidase were found to be 45 A degrees C and 4.8, respectively. The purified Llbglu1 enzyme hydrolyzed the synthetic glycosides, pNPGlucoside (pNPGlc) and pNPGalactoside (pNPGal). Also, the enzyme hydrolyzed amygdalin, a hydroxynitrile glycoside and a few of the tested flavonoid and isoflavonoid glucosides. The kinetic parameters K (m) and V (max) were found to be 38.59 mu M and 0.8237 mu M/mg/min for pNPGlc, whereas for pNPGal the values were observed as 1845 mu M and 0.1037 mu M/mg/min. In the present study, a three dimensional (3D) model of the Llbglu1 was built by MODELLER software to find out the substrate binding sites and the quality of the model was examined using the program PROCHEK. Docking studies indicated that conserved active site residues are Glu 199, Glu 413, His 153, Asn 198, Val 270, Asn 340, and Trp 462. Docking of rhodiocyanoside A with the modeled Llbglu1 resulted in a binding with free energy change (Delta G) of -5.52 kcal/mol on which basis rhodiocyanoside A could be considered as a potential substrate.

}, keywords = {Glycosyl hydrolase family 1, homology modeling, Leucaena leucocephala, Molecular docking}, issn = {0301-4851}, doi = {10.1007/s11033-012-2179-6}, author = {Shaik, Noor M. and Misra, Anurag and Singh, Somesh and Fatangare, Amol B. and Ramakumar, Suryanarayanarao and Rawal, Shuban K. and Khan, Bashir Mohammad} } @article { ISI:000319134800020, title = {Functional characterization of a flavonoid glycosyltransferase gene from withania somnifera (Ashwagandha)}, journal = {Applied Biochemistry and Biotechnology}, volume = {170}, number = {3}, year = {2013}, month = {JUN}, pages = {729-741}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

Glycosylation of flavonoids is mediated by family 1 uridine diphosphate (UDP)-dependent glycosyltransferases (UGTs). Until date, there are few reports on functionally characterized flavonoid glycosyltransferases from Withania somnifera. In this study, we cloned the glycosyltransferase gene from W. somnifera (UGT73A16) showing 85-92 \% homology with UGTs from other plants. UGT73A16 was expressed as a His(6)-tagged fusion protein in Escherichia coli. Several compounds, including flavonoids, were screened as potential substrates for UGT73A16. HPLC analysis and hypsochromic shift indicated that UGT73A16 transfers a glucose molecule to several different flavonoids. Based on kinetic parameters, UGT73A16 shows more catalytic efficiency towards naringenin. Here, we explored UGT73A16 of W. somnifera as whole cell catalyst in E. coli. We used flavonoids (genistein, apigenin, kaempferol, naringenin, biochanin A, and daidzein) as substrates for this study. More than 95 \% of the glucoside products were released into the medium, facilitating their isolation. Glycosylation of substrates occurred on the 7- and 3-hydroxyl group of the aglycone. UGT73A16 also displayed regiospecific glucosyl transfer activity towards 3-hydroxy flavone compound, which is the backbone of all flavonols and also for a chemically synthesized compound, not found naturally. The present study generates essential knowledge and molecular as well as biochemical tools that allow the verification of UGT73A16 in glycosylation.

}, keywords = {Flavonoid, glycosylation, Glycosyltransferase, Hypsochromic shift, Plant secondary product glycosyltransferase (PSPG), Withania somnifera}, issn = {0273-2289}, doi = {10.1007/s12010-013-0230-2}, author = {Singh, Somesh and Vishwakarma, Rishi. K. and Kumar, R. J. Santosh and Sonawane, Prashant D. and Ruby and Khan, Bashir Mohammad} } @article { ISI:000323669900005, title = {Functional characterization of a glucosyltransferase specific to flavonoid 7-O-glucosides from withania somnifera}, journal = {Plant Molecular Biology Reporter}, volume = {31}, number = {5}, year = {2013}, month = {OCT}, pages = {1100-1108}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Flavonoids are a large class of phenylpropanoid-derived secondary metabolites, which are usually glycosylated by UDP-glycosyltransferases with one or more sugar groups. Here, we report the cloning and biochemical characterization of a flavonoid glycosyltransferase gene from Withania somnifera (WsGT), which is an important medicinal plant used in Ayurvedic formulations. Using PCR primers, designed for a highly conserved region of previously reported glycosyltransferases, we were able to isolate the corresponding fragment of the WsGT gene. Rapid amplification of cDNA ends (RACE) was then employed to isolate full-length cDNA, which had an open reading frame of 1,371 bp that encode for 456 amino acids. Phylogenetic analysis indicated that WsGT was similar to that of family 1 GT-B glycosyltransferase. Biochemical analysis revealed that WsGT interacts with UDP-glucose and was capable of regiospecifically glycosylating flavonoid-7-ols, such as apigenin, naringenin, luteolin, diadzein and genistein. Expression profiling studies showed that WsGT was highly expressed in young and mature leaves of W. somnifera. Furthermore, exposure to salicylic acid enhanced the expression of WsGT in the leaves and heat shock treatment resulted in decreased expression of WsGT after an initial increase. This may suggest the role of WsGT in response to abiotic/biotic stresses.

}, keywords = {Diadzein, Flavonoids, Glycosyltransferase, Withania somnifera}, issn = {0735-9640}, doi = {10.1007/s11105-013-0573-4}, author = {Kumar, R. J. Santosh and Ruby and Singh, Somesh and Sonawane, Prashant D. and Vishwakarma, R. K. and Khan, Bashir Mohammad} } @article { ISI:000324265500024, title = {Functional nanoparticles obtained from cellulose: engineering the shape and size of 6-carboxycellulose}, journal = {Chemical Communications}, volume = {49}, number = {78}, year = {2013}, month = {AUG}, pages = {8818-8820}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Agricultural residue derived cellulose and cotton cellulose were used to synthesize quasi-spherical nanoparticles of 6-carboxycellulose having diameter 25-35 nm. This provides a new range of functionalized nanostructured celluloses with increased versatility and applications. The nanoparticles were efficient in stabilizing carbon nanotube dispersions and were effective anti-microbial agents against E. coli.

}, issn = {1359-7345}, doi = {10.1039/c3cc44551h}, author = {Sharma, Priyanka R. and Varma, Anjanikumar} } @article { ISI:000327259400008, title = {Glucose oxidase conjugated H2O2 sensitive CdTe QDs: an effective fluorescence tool for glucose sensing}, journal = {Journal of Materials Chemistry B}, volume = {1}, number = {47}, year = {2013}, month = {OCT}, pages = {6538-6543}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Water-soluble quantum dots (QDs) are extensively used for molecular sensing because of the flexibility they offer in terms of modification of the QDs surface with a variety of functional groups using thiol chemistry and monitoring by fluorescence intensity. We describe a simple assay that allows the photoluminescence (PL) detection of H2O2 and glucose in aqueous samples and demonstrate its applicability by estimating glucose in blood. To enable the glucose detection, we functionalized the 3-mercaptopropanoic acid (MPA) capped CdTe QDs with glucose oxidase (GOx), the enzyme specific to b-D-glucose, using carbodiimide chemistry. The fluorescence of the GOx-functionalized CdTe QDs was quenched on the interaction with glucose. The same photoluminescence quenching was also observed in gel form, when a GOx modified CdTe QDs loaded agarose gel was dipped in H2O2 and glucose solutions, respectively.

}, issn = {2050-750X}, doi = {10.1039/c3tb21164a}, author = {Singh, Pooja and Prabhune, Asmita and Ogale, Satishchandra B. and Guin, Debanjan} } @article { ISI:000315746400035, title = {Glycolic acid functionalized chitosan-Au-Fe3O4 hybrid nanoparticle based nanohybrid scaffold for drug delivery}, journal = {International Journal of Biological Macromolecules}, volume = {54}, year = {2013}, month = {MAR}, pages = {244-249}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The research on biomedical applications of nanoparticles has seen an upsurge in recent years due to their unique capabilities in treatment of ailments. The present paper reports the synthesis of Au-Fe3O4 hybrid nanoparticles. The formation of these nanoparticles was confirmed by transmission electron microscopy (TEM) and physical property measurement system (PPMS). Next step of this paper reveals potential use of novel hybrid of chitosan-g-glycolic acid and Au-Fe3O4 hybrid nanoparticles in controlled drug delivery and tissue engineering applications. Grafting of glycolic acid and drug loading in porous scaffold was characterized by Fourier transform infrared spectroscopy. The nanohybrid scaffolds were found to be stable regardless of pH of the medium and play a key role in cell adhesion, proliferation and migration. Au-Fe3O4 hybrid nanoparticles reinforcement was found to control the drug (cyclophosphamide) release rate in phosphate buffer saline solution (pH 7.4). Therefore, Au-Fe3O4 hybrid nanoparticles are viable additive for formulating sustained drug delivery systems based on glycolic acid grafted chitosan. The cell proliferation profile also shows that prepared nanohybrid is biocompatible providing suitable substrates for tissue engineering. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Au-Fe3O4 hybrid nanoparticles, Chitosan Glycolic acid grafting, Drug delivery system, Physical property measurement system}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2012.12.001}, author = {Kumari, Sangeeta and Singh, Raj Pal} } @article { ISI:000312906000014, title = {Glycolic acid-functionalized chitosan-Co3O4-Fe3O4 hybrid magnetic nanoparticles-based nanohybrid scaffolds for drug-delivery and tissue engineering}, journal = {Journal of Materials Science}, volume = {48}, number = {4}, year = {2013}, month = {FEB}, pages = {1524-1532}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

In the present work, Co3O4 was prepared by hydrothermal process, which is further used for the synthesis of Co3O4-Fe3O4 hybrid nanoparticles. The formation of Co3O4-Fe3O4 nanoparticles was investigated by transmission electron microscopy and physical property measurement system. In the next step, the drug-loaded novel nanohybrid porous scaffold based on chitosan-g-glycolic acid and Co3O4-Fe3O4 nanoparticle was prepared by freeze drying technique. The grafting of glycolic acid on chitosan drug loading in porous scaffold was characterized by Fourier transform infrared spectroscopy. The nanohybrid scaffolds were found to be stable regardless of the pH of the medium and play an important role in cell adhesion, proliferation, and migration. Co3O4-Fe3O4 hybrid nanoparticles{\textquoteright} reinforcement was found to control the drug (cyclophosphamide) release rate in phosphate buffer saline solution (pH 7.4). Therefore, Co3O4-Fe3O4 hybrid nanoparticles are viable additives for formulating sustained drug delivery systems and could be applied in the field of biomaterials.

}, issn = {0022-2461}, doi = {10.1007/s10853-012-6907-z}, author = {Kumari, Sangeeta and Singh, Raj Pal} } @article { ISI:000317799700001, title = {Green synthesis of silver nanoparticles using sunlight}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {258}, year = {2013}, month = {APR}, pages = {1-9}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Silver nanoparticles (AgNPs) are currently among the most widely used man-made nanomaterials, present in a huge range of consumer products. Here we report a simple {\textquoteleft}green{\textquoteright} method of AgNP synthesis of using an anionic surfactant without use of any additional reducing agents. It was observed that synthesis of AgNPs at room temperature (25-35 degrees C) using sodium dodecyl sulphate (SDS) and sunlight. The nanoparticles have been characterised using high-resolution transmission electron spectroscopy (HRTEM), UV-vis spectrophotometry, X-ray photoelectron spectroscopy (XPS) and Fourier Transform Infrared Spectroscopy (FTIR) and are found to have an average diameter of 30 nm. The nanoparticles are water soluble and the nature of the process is amenable to scaling up. (c) 2013 Elsevier B.V. All rights reserved.

}, keywords = {photochemistry, silver nanoparticles, Sodium dodecyl sulphate, XPS}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2013.02.015}, author = {Bhaduri, Gaurav A. and Little, Ross and Khomane, Ramdas B. and Lokhande, Suhas U. and Kulkarni, Bhaskar D. and Mendis, Budhika G. and Siller, Lidija} } @article { ISI:000320121500042, title = {Growth of oriented single crystalline La-doped TiO2 nanorod arrays electrode and investigation of optoelectronic properties for enhanced photoelectrochemical activity}, journal = {RSC Advances}, volume = {3}, number = {26}, year = {2013}, month = {APR}, pages = {10363-10369}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Fabrication of single crystalline, oriented one-dimensional (1D) rods or wires of titania on transparent conducting oxide (TCO) substrates have enormous significance in the area of photoelectrochemical research owning to their unique optoelectronic properties. It is possible to modify the electrical conductivity and optoelectronic properties of titania by intentional inclusion of atomic impurity in the material. Here for the first time, we have doped lanthanum homogeneously in TiO2 nanorod arrays. The homogeneous distribution of lanthanum in titania lattice is confirmed by scanning transmission electron microscopy (STEM) elemental mapping and line scanning analysis. After doping with lanthanum, there is a negative shift of the flat-band potential of the TiO2 nanorods and the charge carrier density of the nanorods is also improved. The energy-conversion efficiency of a dye-sensitized solar cell based on 4 mol\% La-doped nanorods is increased about 21\% compared with the undoped one.

}, issn = {2046-2069}, doi = {10.1039/c3ra40746b}, author = {Sadhu, Subha and Poddar, Pankaj} } @article { ISI:000316583700015, title = {Heterogeneous Co3O4 catalyst for selective oxidation of aqueous veratryl alcohol using molecular oxygen}, journal = {Catalysis Communications}, volume = {33}, year = {2013}, month = {MAR}, pages = {66-69}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Nano-structured, spinel Co3O4 catalyst was developed for the aqueous phase oxidation of veratryl alcohol, which showed the highest conversion of 85\% with 96\% selectivity to veratryl aldehyde. The co-existence of Co3+ and Co2+ species in the octahedral and tetrahedral positions respectively, was confirmed by XPS, cyclic voltammogram, TPR and TPO characterization. The rod-like morphology of Co3O4 catalyst was confirmed by HRTEM. The effects of various reaction parameters namely, catalyst concentration, temperature and partial oxygen pressure on conversion and selectivity patterns were also studied for the oxidation of veratryl alcohol. This catalyst also showed an excellent stability as evidenced by successful reusability for three times. (C) 2012 Published by Elsevier B.V.

}, keywords = {Co3O4, Cyclic voltammogram, Liquid phase oxidation, Molecular oxygen, Veratryl alcohol, XPS}, issn = {1566-7367}, doi = {10.1016/j.catcom.2012.12.015}, author = {Mate, Vivek R. and Shirai, Masayuki and Rode, Chandrashekhar V.} } @article {42573, title = {Heterovalent cation substitutional doping for quantum dot homojunctions}, journal = {Nature Communications}, volume = {4}, year = {2013}, month = {DEC}, pages = {Article number: 2981}, abstract = {

Colloidal quantum dots have emerged as a material platform for low-cost high-performance optoelectronics. At the heart of optoelectronic devices lies the formation of a junction, which requires the intimate contact of n-type and p-type semiconductors. Doping in bulk semiconductors has been largely deployed for many decades, yet electronically active doping in quantum dots has remained a challenge and the demonstration of robust functional optoelectronic devices had thus far been elusive. Here we report an optoelectronic device, a quantum dot homojunction solar cell, based on heterovalent cation substitution. We used PbS quantum dots as a reference material, which is a p-type semiconductor, and we employed Bi-doping to transform it into an n-type semiconductor. We then combined the two layers into a homojunction device operating as a solar cell robustly under ambient air conditions with power conversion efficiency of 2.7\%.

}, doi = {10.1038/ncomms3981}, author = {Stavrinadis, Alexandros and Rath, Arup Kumar and Pelayo Garcia de Arquer, F. and Diedenhofen, Silke L. and Magen, Cesar and Martinez, Luis and So, David and Konstantatos, Gerasimos} } @article { ISI:000322587800006, title = {High efficiency electron field emission from protruded graphene oxide nanosheets supported on sharp silicon nanowires}, journal = {Journal of Materials Chemistry C}, volume = {1}, number = {33}, year = {2013}, month = {JUN}, pages = {5040-5046}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Graphene oxide (GO) potentially has applications in vacuum microelectronic devices for realization of field emission displays. Graphene and its derivatives are expected to be efficient field emitters due to their unique electrical properties. However, the flat sheet structure of graphene or GO allows electron field emission only from the edges of graphene and GO nanosheets. In order to extract maximum field emission current density at lower applied voltage from the GO nanosheets, we supported and stretched them on sharp tips of silicon nanowires (SiNWs). Highly efficient and stable field emission with low turn-on field was observed for these SiNW-GO heterostructures. The sharp protrusions created by stretching of the GO nanosheets on SiNWs locally enhance the electric field and thus enhance the field emission characteristics. The dominant use of silicon in electronic devices makes this approach robust for the development of field emission devices using graphene based field emitters.

}, issn = {2050-7526}, doi = {10.1039/c3tc30904e}, author = {Devarapalli, Rami Reddy and Kashid, Ranjit V. and Deshmukh, Ashvini B. and Sharma, Ponchami and Das, Manash R. and More, Mahendra A. and Shelke, Manjusha V.} } @article { ISI:000326900600016, title = {Highly efficient povidone-phosphotungstic acid catalyst for the tandem acetalization of aldehydes to bis- and tris(indolyl)methanes}, journal = {ChemPlusChem}, volume = {78}, number = {11}, year = {2013}, month = {NOV}, pages = {1393-1399}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A novel, nonleachable hybrid of heteropoly acid and polyvinylpyrrolidone (or povidone) catalyzes the acetalization of aldehydes in methanol at room temperature followed by reaction with indole to give bis(indolyl)methanes (BIMs) and tris(indolyl)methanes (TIMs) in quantitative yields (90-97\%). The catalyst was shown by pyridine FTIR spectroscopy to possess BrOnsted acidity, and the hybrid formation was confirmed by XRD and (PNMR)-P-31 studies. Friedel-Crafts alkylation of indole as well as the tandem synthesis of BIMs and TIMs were established with several types of carbonyl and indole substrates to give the corresponding products quantitatively. The catalyst was recycled efficiently for three successive runs without losing its original activity.

}, keywords = {acetals, Acidity, aldehydes, heterogeneous catalysis, heteropoly acids}, issn = {2192-6506}, doi = {10.1002/cplu.201300248}, author = {Kamble, Sumit B. and Swami, Rameshwar K. and Sakate, Sachin S. and Rode, Chandrashekhar V.} } @article { ISI:000327053200023, title = {High-resolution outgoing longwave radiation dataset from Kalpana-1 satellite during 2004-2012}, journal = {Current Science}, volume = {105}, number = {8}, year = {2013}, month = {OCT}, pages = {1124-1133}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Long record of high-resolution quality-controlled outgoing longwave radiation (OLR) from geostationary platforms like Kalpana-1 has the potential not only to provide detailed information of cloud types contributing to the measure of rain, but also helps unravel convective cloud organization in the tropics from small scale to meso- and synoptic scales. A research quality product of three hourly OLR for the period May 2004 June 2012 is produced from Kalpana-1 very high resolution radiometer (VHRR) radiances over the Indian region (40 degrees S-40 degrees N, 25-125 degrees E) in a regular grid of 0.25 x 0.25 degrees. The quality and usefulness of the dataset is demonstrated here using some illustrative examples. Although these data are available for a relatively short-period, it is shown that they will be potentially more useful than the widely used OLR from NOAA satellites in representing the annual cycles, particularly over the desert and humid oceans, due to their frequent sampling and quality. The active-break periods in the Indian summer monsoon picked up by both the OLR match well. This three hourly OLR estimated from Kalpana-1 VHRR is able to describe the fine-scale structure of the diurnal variation over the region.

}, keywords = {Active break periods, diurnal variation, geostationary platforms, outgoing longwave radiation}, issn = {0011-3891}, author = {Mahakur, M. and Prabhu, A. and Sharma, A. K. and Rao, V. R. and Senroy, S. and Singh, Randhir and Goswami, B. N.} } @article { ISI:000320042800001, title = {Host plant selection by larvae of the muga silk moth, antheraea assamensis, and the role of the antenna and maxillary palp}, journal = {Journal of Insect Science}, volume = {13}, year = {2013}, month = {JUN}, pages = {52}, publisher = {UNIV ARIZONA}, address = {LIBRARY C327, TUCSON, AZ 85721 USA}, abstract = {

The importance of olfactory senses in food preference in fifth instar larvae of Antheraea assamensis Helfer (Lepidoptera: Saturniidae) was examined by subjecting larvae with only antennae or maxillary palpi after microsurgery to food and odor choice tests. Mean percent consumption, total consumption, and choice indices were used as parameters for drawing conclusions. The foods used were two hosts, two non-hosts, and a neutral medium (water). Both antennae and maxillary palpi were fully competent in preference for host plants, Persea bombycina Kostermans (Laurales: Lauraceae) and Litsea polyantha Juss, over the non-hosts, Litsea grandifolia Teschner and Ziziphus jujuba Miller (Rosales: Rhamnaceae). Both were competent in rejecting the non-hosts, L. grandifolia and Z. jujuba. The odor choice test was carried out using a Y-tube olfactometer and showed similar results to the ingestive tests. The results indicate the necessity of functional integration of a combination of olfactory and gustatory sensilla present in different peripheral organs in food acceptance by A. assamensis larvae.

}, keywords = {food choice, maxillae, Y-tube olfactometer}, issn = {1536-2442}, author = {Bora, Dipsikha S. and Deka, Bhabesh and Sen, Avolikiteswar} } @article { ISI:000327805400022, title = {Human mitochondrial NDUFS3 protein bearing leigh syndrome mutation is more prone to aggregation than its wild-type}, journal = {Biochimie}, volume = {95}, number = {12}, year = {2013}, month = {DEC}, pages = {2392-2403}, publisher = {ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER}, address = {23 RUE LINOIS, 75724 PARIS, FRANCE}, abstract = {

NDUFS3 is an integral subunit of the Q module of the mitochondrial respiratory Complex-I. The combined mutation (T145I + R199W) in the subunit is reported to cause optic atrophy and Leigh syndrome accompanied by severe Complex-I deficiency. In the present study, we have cloned and overexpressed the human NDUFS3 subunit and its double mutant in a soluble form in Escherichia coli. The wild-type (w-t) and mutant proteins were purified to homogeneity through a serial two-step chromatographic purification procedure of anion exchange followed by size exclusion chromatography. The integrity and purity of the purified proteins was confirmed by Western blot analysis and MALDI-TOF/TOF. The conformational transitions of the purified subunits were studied through steady state as well as time resolved fluorescence and CD spectroscopy under various denaturing conditions. The mutant protein showed altered polarity around tryptophan residues, changed quenching parameters and also noticeably altered secondary and tertiary structure compared to the w-t protein. Mutant also exhibited a higher tendency than the w-t protein for aggregation which was examined using fluorescent (Thioflavin-T) and spectroscopic (Congo red) dye binding techniques. The pH stability of the w-t and mutant proteins varied at extreme acidic pH and the molten globule like structure of w-t at pH1 was absent in case of the mutant protein. Both the w-t and mutant proteins showed multi-step thermal and Gdn-HCI induced unfolding. Thus, the results provide insight into the alterations of NDUFS3 protein structure caused by the mutations, affecting the overall integrity of the protein and finally leading to disruption of Complex-I assembly. (C) 2013 Elsevier Masson SAS. All rights reserved.

}, keywords = {Aggregation Fluorescence lifetime, Complex-I, Leigh syndrome, NDUFS3}, issn = {0300-9084}, doi = {10.1016/j.biochi.2013.08.032}, author = {Jaokar, Tulika M. and Patil, Deepak P. and Shouche, Yogesh S. and Gaikwad, Sushama M. and Suresh, C. G.} } @article { ISI:000317399600014, title = {Hydrophobic and hydrophilic balance and its effect on mesophase behaviour in hydroxyalkyl ethers of methyl glucopyranoside}, journal = {Chemistry-A European Journal}, volume = {19}, number = {16}, year = {2013}, month = {APR}, pages = {5041-5049}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Four series of monosubstituted methyl -D-glucopyranoside hydroxyalkyl ethers were prepared and their thermotropic and lyotropic self-organising properties were investigated in terms of the hydrophobichydrophilic balance with respect to their molecular structures. The results obtained lead us to a new understanding of the forces that drive the formation of condensed soft-matter phases.

}, keywords = {carbohydrates, liquid crystals, mesophases, Self-assembly, soft matter}, issn = {0947-6539}, doi = {10.1002/chem.201202933}, author = {Singh, Madan K. and Xu, Rui and Moebs, Sylvie and Kumar, Anil and Queneau, Yves and Cowling, Stephen J. and Goodby, John W.} } @article { ISI:000315176600016, title = {Hydroxylation of phenol with hydrogen peroxide catalyzed by Ti-SBA-12 and Ti-SBA-16}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {368}, year = {2013}, month = {MAR}, pages = {112-118}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We report here, for the first time, the application of ordered, three-dimensional, mesoporous titanosilicates, Ti-SBA-12 and Ti-SBA-16, as reusable solid catalysts, for hydroxylation of phenol, an industrially important organic transformation. The reactions were conducted using 30\% aqueous H2O2 as oxidant. The catalysts of this work are more efficient than the hitherto known mesoporous Ti-silicates. They are more para-product selective than TS-1 and other titanosilicates. Ti-SBA-12 exhibited higher activity and hydroquinone/catechol selectivity (by nearly two times) than Ti-SBA-16. H2O2 efficiency of similar to 90 mol\% was obtained. Our study reveals that framework substituted Ti with pseudo-tetrahedral geometry, three-dimensional mesoporosity as well as surface structure are the unique features responsible for the high catalytic activity and selectivity of these titanosilicate catalysts. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Catalytic liquid-phase hydroxylation of phenol, Molecular sieves, Ordered mesoporous titanosilicates, Oxidation with hydrogen peroxide, Ti-SBA-12, Ti-SBA-16}, issn = {1381-1169}, doi = {10.1016/j.molcata.2012.11.026}, author = {Kumar, Anuj and Srinivas, Darbha} } @article { ISI:000318268800072, title = {Hysteresis and charge trapping in graphene quantum dots}, journal = {Applied Physics Letters}, volume = {102}, number = {14}, year = {2013}, month = {APR}, pages = {143104}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

We report current hysteresis in response to applied voltage in graphene quantum dots of average diameter 4.5 +/- 0.55 nm, synthesized electrochemically using multiwalled carbon nanotubes. In response to step voltages, transient current decay, characteristic of deep and shallow level charge traps with time constants 186 ms and 6 s, is observed. Discharging current transients indicate charge storage of the order of 100 mu C. Trap states are believed to arise due to the fast physisorption of external adsorbates, which are found to have a significant effect on charge transport and changes the resistance of the prepared device by an order of 3. (C) 2013 American Institute of Physics.

}, issn = {0003-6951}, doi = {10.1063/1.4800236}, author = {Kalita, Hemen and Harikrishnan, V and Shinde, Dhanraj B. and Pillai, Vijayamohanan K. and Aslam, Mohammed} } @article { ISI:000324316300042, title = {Identification of molecular crystals capable of undergoing an acyl-transfer reaction based on intermolecular interactions in the crystal lattice}, journal = {Chemistry-A European Journal}, volume = {19}, number = {38}, year = {2013}, month = {SEP}, pages = {12867-12874}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Investigation of the intermolecular acyl-transfer reactivity in molecular crystals of myo-inositol orthoester derivatives and its correlation with crystal structures enabled us to identify the essential parameters to support efficient acyl-transfer reactions in crystals: 1)the favorable geometry of the nucleophile (OH) and the electrophile (CO) and 2)the molecular assembly, reinforced by CH interactions, which supports a domino-type reaction in crystals. These parameters were used to identify another reactive crystal through a data-mining study of the Cambridge Structural Database. A 2:1 co-crystal of 2,3-naphthalene diol and its di-p-methylbenzoate was selected as a potentially reactive crystal and its reactivity was tested by heating the co-crystals in the presence of solid sodium carbonate. A facile intermolecular p-toluoyl group transfer was observed as predicted. The successful identification of reactive crystals opens up a new method for the detection of molecular crystals capable of exhibiting acyl-transfer reactivity.

}, keywords = {Acylation, domino reactions, intermolecular interactions, solid-state reactions, X-ray diffraction}, issn = {0947-6539}, doi = {10.1002/chem.201301058}, author = {Tamboli, Majid I. and Krishnaswamy, Shobhana and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article { ISI:000314931900026, title = {In situ synthesis and surface functionalization of gold nanoparticles with curcumin and their antioxidant properties: an experimental and density functional theory investigation}, journal = {Nanoscale}, volume = {5}, number = {5}, year = {2013}, month = {DEC}, pages = {1882-1893}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Curcumin ((1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione) is an active component of turmeric; it is responsible for its characteristic yellow color and therapeutic potential, but its poor bioavailability remains a major challenge. In order to improve the bioavailability of curcumin, various approaches have been used. One of the possible approaches to increase the bioavailability of curcumin is its conjugation on the surface of metal nanoparticles. Therefore, in the present study, we report the binding of curcumin on the surface of gold nanoparticles (AuNPs). The AuNPs were synthesized by the direct reduction of HAuCl4 using curcumin in the aqueous phase, without the use of any other reducing agents. We found that curcumin acts both as a reducing and capping agent, stabilizing the gold sol for many months. Moreover, these curcumin-capped AuNPs also show good antioxidant activity which was confirmed by the DPPH (2,2-diphenyl-l-picrylhydrazyl) radical test. Thus, the surface functionalization of AuNPs with curcumin may pave a new way of using the curcuminoids towards possible drug delivery and therapeutics. Apart from the experimental study, a detailed quantum chemical calculation using density functional theory (DFT) has been performed, in order to investigate the formation of a complex of curcumin with Au3+ ions in different possible conformational isomeric forms. Our theoretical calculations indicate the evidence of electron transfer from curcumin into the Au center and essentially indicate that as a consequence of complexation, Au3+ ions are reduced to Au-0. Our theoretical results also propose that it is the breakage of intramolecular H-bonding that probably leads to the increased availability of curcumin in the presence of gold ions and water molecules.

}, issn = {2040-3364}, doi = {10.1039/c2nr33776b}, author = {Singh, Dheeraj K. and Jagannathan, Ramya and Khandelwal, Puneet and Abraham, Priya Mary and Poddar, Pankaj} } @article { ISI:000311935400073, title = {Influence of contact medium and surfactants on carbon dioxide clathrate hydrate kinetics}, journal = {Fuel}, volume = {105}, year = {2013}, month = {MAR}, pages = {664-671}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Carbon dioxide (CO2) hydrate formation kinetic was investigated in a fixed bed crystallizer at constant pressure (3.55 MPa) and temperature (274 K). Porous media of three different silica gels were used, with a mesh size of 60-120, 100-200 and 230-400 having different surface area. The observed trends indicate that silica gel with larger surface area leads to higher gas consumption as well as reduces the induction time. The effect of pore diameter and particle size distribution has already been reported in a previous study [1]. In this study the effect of additives on hydrate formation kinetics were also investigated. The additives studied were nonionic surfactant Tween-80 (T-80), cationic dodecyltrimethylammonium chloride (DTACl) and anionic Sodium Dodecyl Sulphate (SDS). Out of the three surfactants used in this study, SDS was found to be most effective in enhancing the rate of hydrate formation as well as reducing the induction time. The current result shows significant improvement in water to hydrate conversion in silica gel media compared to quiescent water or surfactant-water system under similar conditions. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon dioxide capture, Clathrate hydrate, kinetics, Silica gel, Surfactants}, issn = {0016-2361}, doi = {10.1016/j.fuel.2012.10.031}, author = {Kumar, Asheesh and Sakpal, Tushar and Linga, Praveen and Kumar, Rajnish} } @article { ISI:000323805300007, title = {Influence of method of preparation of solid, double-metal cyanide complexes on their catalytic activity for synthesis of hyperbranched polymers}, journal = {Applied Catalysis A-General}, volume = {464}, year = {2013}, month = {AUG}, pages = {51-60}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Catalytic activity of a series of Fe-Zn double-metal cyanide (DMC) complexes with varying structural and acidic properties has been investigated for the synthesis of hyperbranched polyesters (HPs) from glycerol and succinic acid/adipic acid. The DMC complexes were prepared using different complexing and co-complexing agents. Hydrophobicity of the surface, Lewis acidity and micro-mesoporous architecture are the critical features of DMC enabled control on gelation process in preparing HPs of high degree of branching. The micro-mesoporous architecture of DMC acts as a nano-reactor for reactant molecules to form primary condensation products which further polymerize yielding dendrimers. Hyperbranched polyesters of degree of branching as high as 90\% could be achieved without gelation using DMC catalysts. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Dendrimers, Double-metal cyanide, heterogeneous catalysis, Hydrophobic solid acid catalyst, Hyperbranched polymers}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.05.024}, author = {Sebastian, Joby and Srinivas, Darbha} } @article { ISI:000315557700001, title = {Isolation, fractionation and evaluation of the antiplasmodial properties of Phyllanthus niruri resident in its chloroform fraction}, journal = {Asian Pacific Journal of Tropical Medicine}, volume = {6}, number = {3}, year = {2013}, month = {MAR}, pages = {169-175}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Objective: To investigate the antiplasmodial activity of Phyllanthus niruri (P. niruri) methanol extract (ME) and its fractions in mice. Methods: P. niruri methanol extract and its chloroform, ethanol and aqueous portions were tested against chloroquine-sensitive Plasmodium berghei berghei. in early, established mid repository models of infection using Knight and Peter{\textquoteright}s 4-day suppressive model, Ryley and Peters curative model and Peters prophylactic model respectively. Results: Chemosuppression of parasitaemia (37.65\%-50.53 \%) was elicited by 100-400 mg/kg (b.w.) of ME. At doses of 100 mg/kg b.w., the chloroform fraction (F1) significantly (P\<0.01) suppressed parasitaemia by 85.29\%, while ethanol and aqueous fractions (F2 and F3, respectively) elicited 67.06\% and 51.18\% chemosuppression. The most active fraction, F1 was selected for further antiplasmodial screening. In established infection, ME reduced parasitaemia (15.81\%-62.96\%) while F1 significantly (P\<0.01) reduced parasitaemia (44.36\%-90.48\%), with effects comparable to that of chloroquine (96.48\%). The prophylactic antiplasmodial activity of ME (92.50\% suppression) was also significant (P\<0.01) and was more effective than pyrimethamine (85.00\%). Additionally, cell membrane integrity of non-parasitized erythrocytes incubated with 125-500 mg/mL F1 was maintained. Conclusions: These findings indicate the antiplasmodial efficacy of P. niruri methanol extract, and the localization of this effect in its chloroform fraction.

}, keywords = {malaria, Phyllanthus niruri, Plasmodium}, issn = {1995-7645}, doi = {10.1016/S1995-7645(13)60018-8}, author = {Ifeoma, Obidike and Samuel, Okhale and Itohan, Aboh Mercy and Adeola, Salawu Oluwakanyinsola} } @article { ISI:000327090400009, title = {Lavandula gibsoni and plectranthus mollis essential oils: chemical analysis and insect control activities against aedes aegypti, anopheles sfttephensi and culex quinquefasciatus}, journal = {Journal of Pest Science}, volume = {86}, number = {4}, year = {2013}, month = {DEC}, pages = {713-718}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Essential oils and acetone extracts from Lavandula gibsoni and Plectranthus mollis, family Lamiaceae, were investigated for their mosquito larvicidal activity against 4th instar larvae of Aedes aegypti, Anopheles stephensi and Culex quinquefasciatus. LC50 values against these three species were 48.3, 62.8 and 54.7 mg/L for L. gibsoni essential oil and 118.5, 137.2 and 128.1 mg/L, respectively, for its acetone extract, while LC50 values for P. mollis essential oil were 25.4, 33.5 and 29.5 mg/L and 195.0, 213.8 and 209.0 mg/L, respectively, for its acetone extract. Repellence of the essential oils was assessed against A. aegypti adults. L. gibsoni essential oil provided 100 \% protection for more than 7 h at a concentration of 2.0 mg/cm(2). Under the same conditions, the standard repellent N,N-diethyl-meta-toluamide, at 0.25 mg/cm(2), provided 100 \% protection for more than 8 h, while P. mollis essential oil was only weakly repellent. The major components from both essential oils were identified based on GC-MS analysis and linear retention indices. Our results demonstrated promising larvicidal activities of both essential oils against these mosquito species. L. gibsoni essential oil also showed promising repellent activity.

}, keywords = {Essential oil, Lavandula gibsoni, Mosquito larvicidal activity, Mosquito repellent, Plectranthus mollis}, issn = {1612-4758}, doi = {10.1007/s10340-013-0502-1}, author = {Kulkarni, Roshan R. and Pawar, Pushpa V. and Joseph, Mary P. and Akulwad, Ambadas K. and Sen, Avalokiteswar and Joshi, Swati P.} } @article { ISI:000318577600145, title = {Liquefied petroleum gas sensing performance of cerium doped copper ferrite}, journal = {Ceramics International}, volume = {39}, number = {5}, year = {2013}, month = {JUL}, pages = {5901-5907}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Undoped and cerium (Ce) doped nanocrystalline copper ferrite (CuFe2O4) materials were synthesized via the molten-salt (M-S) method. Effects of Ce doping on the structural, morphological and gas sensing properties of the CuFe2O4 ferrite have been investigated. X-ray diffraction (XRD) analysis revealed the formation of spinel CuFe2O4. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) investigations showed that the synthesized ferrite is made up of very fine spherical nanoparticles. Moreover, the gas sensing properties of sintered samples were studied towards different reducing gases such as liquefied petroleum gas (LPG), acetone, ethanol and ammonia. The sample with 4\% cerium doped CuFe2O4 (Ce4) showed the maximum gas sensitivity (86\%) towards LPG with fast response time of 5 s and good recovery time of 68 s. (C) 2013 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {Ferrite, Gas sensor, Molten-salt method, TEM}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2013.01.010}, author = {Khandekar, M. S. and Tarwal, N. L. and Patil, J. Y. and Shaikh, F. I. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000326207600024, title = {Mechanism of action of novel synthetic dodecapeptides against Candida albicans}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1830}, number = {11}, year = {2013}, month = {NOV}, pages = {5193-5203}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Background: Three de novo designed low molecular weight cationic peptides (IJ2, IJ3 and IJ4) containing an unnatural amino acid alpha,beta-didehydrophenylalanine (APhe) exhibited potent antifungal activity against fluconazole (FLC) sensitive and resistant clinical isolates of Candida albicans as well as non-albi cans and other yeast and filamentous pathogenic fungi. In the present study, their synthesis, susceptibility of different fungi and the mechanism of anti-candidal action have been elucidated. Methods: The antimicrobial peptides (AMPs) were synthesized by solid-phase method and checked for antifungal activity against different yeasts and fungi by broth microdilution method. Anti-candidal mode of action of the peptides was investigated through detecting membrane permeabilization by confocal microscopy, Reactive Oxygen Species (ROS) generation by fluorometry, apoptosis and necrosis by flow cytometry and cell wall damage using Scanning and Transmission Electron Microscopy. Results and conclusions: The MIC of the peptides against C. albicans and other yeast and filamentous fungal pathogens ranged between 3.91 and 250 mu M. All three peptides exhibited effect on multiple targets in C. albi cans including disruption of cell wall structures, compromised cell membrane permeability leading to their enhanced entry into the cells, accumulation of ROS and induction of apoptosis. The peptides also showed synergistic effect when used in combination with fluconazole (FLC) and caspofungin (CAS) against C. albi cans. General significance: The study suggests that the AMPs alone or in combination with conventional antifungals hold promise for the control of fungal pathogens, and need to be further explored for treatment of fungal infections. (C) 2013 Elsevier By. All rights reserved.

}, keywords = {Antifungal peptide, Antimicrobial peptide (AMP), Apoptosis, Candida albicans, Reactive Oxygen Species (ROS)}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2013.07.016}, author = {Maurya, Indresh Kumar and Thota, Chaitanya Kumar and Sharma, Jyotsna and Tupe, Santosh Genba and Chaudhary, Preeti and Singh, Manoj Kumar and Thakur, Indu Shekhar and Deshpande, Mukund V. and Prasad, Rajendra and Chauhan, Virander Singh} } @article { ISI:000317945100020, title = {Metal cation-exchanged montmorillonite clay as catalysts for hydroxyalkylation reaction}, journal = {Applied Clay Science}, volume = {74}, number = {SI}, year = {2013}, month = {APR}, pages = {141-146}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Several solid acid catalysts were prepared by exchanging metal cations such as Zn2+, Fe3+ and Al3+ with montmorillonite clay. Among these, Al-montmorillonite showed the highest acidity determined by the pyridine-IR as well as NH3-TPD methods. A systematic comparison of the performance of these catalysts along with parent montmorillonite was carried out for the hydroxyalkylation of p-cresol with formaldehyde to give 2, 2{\textquoteright}-methylenebis (4-methyl phenol) (DAM). It was found that the activity of these catalysts was in accordance with the increase in acidity of parent montmorillonite after the exchange of cations in the order of Zn2+, Fe3+ and Al3+. The selectivity pattern was also influenced by the exchanged cations. Since Al-montmorillonite showed the highest conversion of 51\% with 98\% selectivity to DAM, the effects of various reaction parameters, namely, mole ratio, catalyst concentration, temperature, reaction time on conversion and selectivity pattern were also studied using the same catalyst This catalyst also showed an excellent stability as evidenced by its eight times reuse. (C) 2012 Published by Elsevier B.V.

}, keywords = {Cations-exchanged clay, Montmorillonite, NH3-TPD, Pyridine-IR}, issn = {0169-1317}, doi = {10.1016/j.clay.2012.10.005}, author = {Jha, Ajay and Garade, Ajit C. and Shirai, M. and Rode, C. V.} } @article { ISI:000319458900005, title = {Modified zeolite immobilized palladium for ligand-free suzuki-miyaura cross-coupling reaction}, journal = {Journal of Organometallic Chemistry}, volume = {738}, year = {2013}, month = {AUG}, pages = {29-34}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A palladium-based catalyst supported on modified ZSM-5 was successfully prepared by a facile procedure. The prepared heterogeneous catalyst Pd@desilicated ZSM-5 showed an excellent catalytic activity at very low Pd loading (0.02 mol\%) for the ligand-free Suzuki-Miyaura coupling reactions of various aryl bromides affording excellent yields of the products. The prepared catalyst presents good recyclability, over four catalytic cycles. (C) 2013 Elsevier B. V. All rights reserved.

}, keywords = {heterogeneous catalysis, Suzuki-Miyaura reaction, zeolite}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2013.03.031}, author = {Kumbhar, Arjun and Kamble, Santosh and Mane, Anand and Jha, Ratnesh Kumar and Salunkhe, Rajashri} } @article { ISI:000324794900010, title = {Molecular characterization and differential expression studies of an oxidosqualene cyclase (OSC) gene of Brahmi (Bacopa monniera)}, journal = {Physiology and Molecular Biology of Plants}, volume = {19}, number = {4}, year = {2013}, month = {OCT}, pages = {547-553}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Triterpenoid saponins are the class of secondary metabolites, synthesized via isoprenoid pathway. Oxidosqualene cyclases (OSCs) catalyzes the cyclization of 2, 3-oxidosqualene to various triterpene skeletons, the first committed step in triterpenoid biosynthesis. A full-length oxidosqualene cyclase cDNA from Bacopa monniera (BmOSC) was isolated and characterized. The open reading frame (ORF) of BmOSC consists of 2,292 bp, encoding 764 amino acid residues with an apparent molecular mass of 87.62 kDa and theoretical pI 6.21. It contained four QxxxxxW motifs, one Asp-Cys-Thr-Ala-Glu (DCTAE) motif which is highly conserved among the triterpene synthases and another MWCYCR motif involved in the formation of triterpenoid skeletons. The deduced amino acid sequence of BmOSC shares 80.5 \% \& 71.8 \% identity and 89.7 \% \& 83.5 \% similarity with Olea europaea mixed amyrin synthase and Panax notoginseng dammarenediol synthase respectively. Phylogenetic analysis revealed that BmOSC is closely related with other plant OSCs. Quantitative real-time PCR (qRT-PCR) data showed that BmOSC is expressed in all tissues examined with higher expression in stem and leaves as compared to roots and floral parts.

}, issn = {0971-5894}, doi = {10.1007/s12298-013-0195-1}, author = {Vishwakarma, Rishi K. and Sonawane, Prashant and Singh, Somesh and Kumari, Uma and Ruby and Khan, Bashir Mohammad} } @article { ISI:000319073500006, title = {Molecular cloning, biochemical characterization, and differential expression of an acetyl-CoA C-acetyltransferase gene (AACT) of brahmi (Bacopa monniera)}, journal = {Plant Molecular Biology Reporter}, volume = {31}, number = {3}, year = {2013}, month = {JUN}, pages = {547-557}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Bacopa monniera (Brahmi) is an important Indian medicinal herb found in wet damp and marshy places. It produces medicinally important compounds known as bacosides along with alkaloids like brahmine and herpestine. Bacosides are triterpenoid saponins and their biosynthesis takes place via the isoprenoid pathway starting with acetyl-CoA. Acetyl-CoA C-acetyltransferase (AACT; EC 2.3.1.9), also known as acetoacetyl-CoA thiolase (Thiolase II), catalyzes the condensation of two acetyl-CoA to form 4-C compound acetoacetyl-CoA. Acetoacetyl-CoA is an important starting molecule for biosynthesis of various metabolites. Here, we report the cDNA cloning and characterization of acetyl-CoA C-acetyltransferase gene from B. monniera. The full-length gene was isolated using a RACE PCR protocol. The cDNA encoding AACT was designated as BmAACT (FJ947159) revealed an ORF of 1,218 bp and 405 amino acids, and shares 80 \% similarity with other plant AACTs. Phylogenetic analysis showed that BmAACT is related closely to other dicot plants AACTs. The BmAACT gene was over-expressed in Escherichia coli as a 6X His-tag fusion protein and purified to homogeneity by Ni-NTA and gel filtration chromatography. Activity of recombinant protein was confirmed by thiolytic cleavage of acetoacetyl-CoA in the presence of 5 mM Mg2+, showing K (m) and V (max) of 20.67 mu M and 96.21 mu mol/min, respectively, with high catalytic efficiency (k (cat) = 2.30 x 10(5) min(-1)). Quantitative real-time PCR analysis showed that the expression of BmAACT is tissue-specific, and accumulation of transcripts is greater in roots and petals, followed by sepals, stem, leaf and pedicel.

}, keywords = {Acetyl-CoA C-acetyltransferase, Bacopa monniera, Isoprenoid pathway, Triterpenoid saponin}, issn = {0735-9640}, doi = {10.1007/s11105-012-0523-6}, author = {Vishwakarma, Rishi K. and Ruby and Singh, Somesh and Sonawane, Prashant D. and Srivastava, Sameer and Kumari, Uma and Kumar, R. J. Santosh and Khan, Bashir Mohammad} } @article { ISI:000319221500007, title = {Molecular dynamics simulation studies of the structural response of an isolated A beta(1-42) monomer localized in the vicinity of the hydrophilic TiO2 surface}, journal = {European Biophysics Journal}, volume = {42}, number = {6}, year = {2013}, month = {JUN}, pages = {487-494}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

We have probed the effect of a model hydrophilic surface, rutile TiO2, on the full-length amyloid beta (A beta(1-42)) monomer using molecular dynamics simulations. The rutile surface brings about sharp changes in the peptide{\textquoteright}s intrinsic behavior in a distance-dependent manner. The intrinsic collapse of the peptide is disrupted, while the beta-sheet propensity is sharply enhanced with increased proximity to the surface. The results may have implications for A beta self-assembly and fibrillogenesis on hydrophilic surfaces and should be taken into consideration in the design of novel nanomaterials for perturbing amyloidogenic behavior.

}, keywords = {Amyloid beta, beta-Sheet propensity, molecular dynamics simulation, TiO2 rutile surface}, issn = {0175-7571}, doi = {10.1007/s00249-013-0900-6}, author = {Jose, Jaya C. and Sengupta, Neelanjana} } @article { ISI:000330159500007, title = {Molecular interactions, proton exchange, and photoinduced processes prompted by an inclusion process and a [2]pseudorotaxane formation}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {18}, year = {2013}, month = {AUG}, pages = {9004-9012}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Appropriate design of the host and guest components allows formation of a novel [2]pseudorotaxane complex with an interrupted photoinduced electron transfer (PET)-coupled fluorescence resonance energy transfer (FRET) response. This is the first example of an inclusion complex with NO6-based azacrown ether as the host unit (H). Different guest molecules (G1, G2, G3, and G4) with varying stopper size are used for the studies. Unlike G1, G2, and G3, G4 with a relatively bulkier stopper fails to form a [2]pseudorotaxane complex. Isothermal titration microcaloiimetry measurements reveal a systematic increase in the association constant for H.G1, H.G2, and H.G3 with a change in the stopper size. Thermodynamic data suggest that the formation of H.G1/H.G2/H.G3 is exclusively driven by a large positive entropic gain (T Delta S = 19.69/26.80/21.81 kJ.mol(-1)), while the enthalpy change is slightly negative for H.G1/H.G3 (-2.61/-1.97 kJ.mol(-1)) and slightly positive for H.G2 (Delta H = 5.98 kJ.mol(-1)). For these three inclusion complexes, an interrupted PET-coupled FRET response is observed with varying efficiency, which is attributed to the subtle differences in acidity of the NH2+ unit of the guest molecules and thus the proton exchange ability between the host and respective guest. This is substantiated by the results of the computational studies.

}, issn = {0022-3263}, doi = {10.1021/jo400752d}, author = {Mandal, Amal Kumar and Suresh, Moorthy and Kesharwani, Manoj K. and Gangopadhyay, Monalisa and Agrawal, Manoj and Boricha, Vinod P. and Ganguly, Bishwajit and Das, Amitava} } @article { ISI:000315516400021, title = {Molecular mapping of leaf rust resistance gene Lr15 in hexaploid wheat}, journal = {Molecular Breeding}, volume = {31}, number = {3}, year = {2013}, month = {MAR}, pages = {743-747}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Leaf rust is a widespread and commonly occurring rust disease of wheat. Genetic resistance is the most economical method of reducing losses due to leaf rust. Lr15 has been shown to be present on wheat chromosome 2D and is reported to be a seedling resistance gene. However, tightly linked markers associated with Lr15 have not been reported to date. To identify molecular markers linked to Lr15, an F-2 mapping population of Thatcher x Thatcher-Lr15 was generated. Available wheat simple sequence repeat markers were utilized in parental screening and polymorphic markers were used to analyze the entire population of 221 plants. Phenotypic evaluations of the F-2-derived F-3 progenies with Puccinia triticina Eriks. pathotype 162A (93R15) confirmed the monogenic inheritance of Lr15. The linkage group representing chromosome 2DS was constructed at LOD 4.0 which revealed the closest flanking markers Xgwm4562 and Xgwm102 at a distance of 3.1 and 9.3 cM, respectively. Furthermore, utilization of these flanking markers in combination has successfully identified wheat lines with or without Lr15. These markers could potentially be useful in gene pyramiding with other genes to enhance rust resistance in wheat.

}, keywords = {Disease resistance, Leaf rust, Marker-assisted selection, Simple sequence repeat, Wheat}, issn = {1380-3743}, doi = {10.1007/s11032-012-9813-9}, author = {Dholakia, Bhushan B. and Rajwade, A. V. and Hosmani, P. and Khan, R. R. and Chavan, S. and Reddy, D. M. R. and Lagu, Meena D. and Bansal, Urmil K. and Saini, R. G. and Gupta, V. S.} } @article { ISI:000325552900018, title = {New chemodosimetric probe for the specific detection of Hg2+ in physiological condition and its utilisation for cell imaging studies}, journal = {Dalton Transactions}, volume = {42}, number = {42}, year = {2013}, month = {JUL}, pages = {15097-15105}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A dithiane derivative of BODIPY is synthesized. This new reagent could be used for the specific and instantaneous detection of Hg2+ in physiological condition. This dithiane reagent reacts specifically with Hg2+ to regenerate the parent BODIPY-aldehyde with consequential change in visually detectable optical responses and this provides the possibility of using this reagent as a colorimetric probe or as a fluorescent biomarker/imaging reagent. Further, non-covalent interactions could be utilized for formation of an inclusion complex with biologically benign beta-cyclodextrin for enhancing its solubility in aqueous environment and this included adduct could be used as a fluorescent marker and imaging reagent for Hg2+. Uptake of Hg2+ ions in live HeLa cells, exposed to a solution having Hg2+ ion concentration as low as 2 ppb, could also be detected by confocal laser microscopic studies.

}, issn = {1477-9226}, doi = {10.1039/c3dt51744f}, author = {Saha, Sukdeb and Agarwalla, Hridesh and Gupta, Hariom and Baidya, Mithu and Suresh, E. and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000325924000001, title = {New organosoluble aromatic poly(esterimide)s containing pendent pentadecyl chains: synthesis and characterization}, journal = {High Performance Polymers}, volume = {25}, number = {7}, year = {2013}, month = {NOV}, pages = {735-743}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

A new diimide dicarboxylic acid, namely 2,2-(4-pentadecyl-1,3-phenylene)bis(1,3-dioxoisoindoline-5-carboxylic acid), containing preformed imide rings and pentadecyl chain, was synthesized by the reaction of 4-pentadecylbenzene-1,3-diamine with trimellitic anhydride. A series of new aromatic poly(esterimide)s (PEIs) was synthesized using diphenylchlorophosphate-activated direct polycondensation of 2,2-(4-pentadecyl-1,3-phenylene)bis(1,3-dioxoisoindoline-5-carboxylic acid), with five commercially available bisphenols, namely 4,4-isopropylidenediphenol (I), 4,4-(hexafluoroisopropylidene)diphenol (II), 4,4-oxydiphenol (III), 4,4-biphenol (IV), and 4,4-(9-fluorenylidene)diphenol (V) in the presence of pyridine and lithium chloride. Inherent viscosities of PEIs were in the range 0.54-0.83dLg(-1) in chloroform (CHCl3) at 30 +/- 0.1 degrees C. PEIs containing pendent pentadecyl chains were soluble in organic solvents such as CHCl3, m-cresol, N, N-dimethylacetamide, 1-methyl-2-pyrrolidinone, pyridine, and nitrobenzene. Tough, transparent, and flexible films of PEIs could be cast from their CHCl3 solutions. PEIs exhibited glass transition temperature in the range 145-198 degrees C. The temperature at 10\% weight loss of PEIs, determined by thermogravimetric analysis under the nitrogen atmosphere, was in the range of 450-470 degrees C indicating good thermal stability.

}, keywords = {pendent pentadecyl chains, Polycondensation, Polyimide, Preformed imide rings, Thermogravimetric analysis}, issn = {0954-0083}, doi = {10.1177/0954008313483344}, author = {Sadavarte, Nilakshi V. and Patil, Sachin S. and Avadhani, C. V. and Wadgaonkar, Prakash P.} } @article { ISI:000313513400013, title = {N-Heterocyclic carbene catalyzed esterification of aromatic aldehydes with alcohols under aerobic conditions}, journal = {RSC Advances}, volume = {3}, number = {6}, year = {2013}, month = {DEC}, pages = {1695-1698}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple, organocatalytic procedure for the direct oxidative esterification of a variety of aromatic aldehydes with alcohols has been described that affords the corresponding aromatic esters in high yields. The method employs N-heterocyclic carbenes as catalysts and molecular O-2 as an oxidant under ambient conditions.

}, issn = {2046-2069}, doi = {10.1039/c2ra22718e}, author = {Kiran, I. N. Chaithanya and Lalwani, Komal G. and Sudalai, Arumugam} } @article { ISI:000318393000028, title = {N-Heterocyclic carbene catalyzed oxidative stannylation of aldehydes: a facile entry to organotin(IV) carboxylates}, journal = {Tetrahedron Letters}, volume = {54}, number = {21}, year = {2013}, month = {MAY}, pages = {2679-2681}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple protocol is described for the oxidative transformation of aldehydes to the corresponding organotin(IV) carboxylates in high yields (up to 90\%) that utilizes atmospheric O-2 as the sole oxidant, N-heterocyclic carbene as catalyst (at 10 mol \%), and tributyl tin chloride as stannylating agent. The uniqueness of the reaction lies in the direct conversion of aldehydes to the corresponding organotin(IV) carboxylates via stannylation of carboxylic acids, generated from the reaction of a Breslow intermediate with O-2. (c) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Carboxylic acid stannanes, N-Heterocyclic carbene, Oxidative stannylation, oxygen, Tributyltin chloride}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.03.050}, author = {Reddi, Rambabu N. and Malekar, Pushpa V. and Sudalai, Arumugam} } @article { ISI:000325194900006, title = {N-Heterocyclic carbene catalyzed regioselective oxo-acyloxylation of alkenes with aromatic aldehydes: a high yield synthesis of alpha-acyloxy ketones and esters}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {38}, year = {2013}, month = {OCT}, pages = {6477-6482}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An N-heterocyclic carbene (NHC)-catalyzed reaction of alkenes with aromatic aldehydes providing for a high yield synthesis of alpha-acyloxy ketones and esters has been described. This unprecedented regioselective oxidative process employs NBS and Et3N in stoichiometric amounts and O-2 (1 atm) as an oxidant under ambient conditions in DMSO as a solvent.

}, issn = {1477-0520}, doi = {10.1039/c3ob41551a}, author = {Reddi, Rambabu N. and Malekar, Pushpa V. and Sudalai, Arumugam} } @article { ISI:000324909200005, title = {Nitrite reductase NirBD is induced and plays an important role during in vitro dormancy of mycobacterium tuberculosis}, journal = {Journal of Bacteriology}, volume = {195}, number = {20}, year = {2013}, month = {OCT}, pages = {4592-4599}, publisher = {AMER SOC MICROBIOLOGY}, address = {1752 N ST NW, WASHINGTON, DC 20036-2904 USA}, abstract = {

Mycobacterium tuberculosis is one of the strongest reducers of nitrate among all mycobacteria. Reduction of nitrate to nitrite, mediated by nitrate reductase (NarGHJI) of M. tuberculosis, is induced during the dormant stage, and the enzyme has a respiratory function in the absence of oxygen. Nitrite reductase (NirBD) is also functional during aerobic growth when nitrite is the sole nitrogen source. However, the role of NirBD-mediated nitrite reduction during the dormancy is not yet characterized. Here, we analyzed nitrite reduction during aerobic growth as well as in a hypoxic dormancy model of M. tuberculosis in vitro. When nitrite was used as the sole nitrogen source in the medium, the organism grew and the reduction of nitrite was evident in both hypoxic and aerobic cultures of M. tuberculosis. Remarkably, the hypoxic culture of M. tuberculosis, compared to the aerobic culture, showed 32- and 4-fold-increased expression of nitrite reductase (NirBD) at the transcription and protein levels, respectively. More importantly, a nirBD mutant of M. tuberculosis was unable to reduce nitrite and compared to the wild-type (WT) strain had a \>2-log reduction in viability after 240 h in the Wayne model of hypoxic dormancy. Dependence of M. tuberculosis on nitrite reductase (NirBD) was also seen in a human macrophage-based dormancy model where the nirBD mutant was impaired for survival compared to the WT strain. Overall, the increased expression and essentiality of nitrite reductase in the in vitro dormancy models suggested that NirBD-mediated nitrite reduction could be critical during the persistent stage of M. tuberculosis.

}, issn = {0021-9193}, doi = {10.1128/JB.00698-13}, author = {Akhtar, Shamim and Khan, Arshad and Sohaskey, Charles D. and Jagannath, Chinnaswamy and Sarkar, Dhiman} } @article { ISI:000327481200002, title = {Noble metal promoted CeO2-ZrO2-supported ni catalysts for liquid-phase hydrogenation of cinnamaldehyde}, journal = {Catalysis Letters}, volume = {143}, number = {12}, year = {2013}, month = {DEC}, pages = {1266-1276}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Pd or Pt promoted CeO2-ZrO2-supported Ni catalysts exhibited superior catalytic activity to the hitherto known Ni catalysts for liquid-phase hydrogenation of cinnamaldehyde at moderate conditions. Under similar experimental conditions, the unpromoted catalyst was selective for hydrocinnamaldehyde product (C=C hydrogenation) whereas the promoted catalyst yielded 3-phenyl propanol (C=C and C=O hydrogenation product). Enhanced dispersion of Ni was the cause for higher activity of the promoted Ni catalysts.

}, keywords = {Ceria-zirconia, Cinnamaldehyde, Noble metal promoted catalyst, Selective hydrogenation, Supported Ni catalyst}, issn = {1011-372X}, doi = {10.1007/s10562-013-1064-9}, author = {Bhogeswararao, Seemala and Kumar, V. Pavan and Chary, K. V. R. and Srinivas, D.} } @article { ISI:000314791100023, title = {Novel vanadium n-propylamino phosphate catalyst: synthesis, characterization and applications}, journal = {Materials Research-Ibero-American Journal of Materials}, volume = {16}, number = {1}, year = {2013}, month = {JAN}, pages = {181-189}, publisher = {UNIV FED SAO CARLOS, DEPT ENGENHARIA MATERIALS}, address = {LABORATORIA DE MATERIAIS VITREOS, CAIXA POSTAL 676, SAO CARLOS, 13565-905SP, BRAZIL}, abstract = {

A novel, lamellar type Vanadium n-propylamino phosphate catalyst is synthesized and characterized by using various physicochemical techniques such as Powder X-ray diffraction, Scanning electron microscopy/Energy dispersive X-ray analysis, Thermogravimetry/Differential thermal analysis, Fourier transform Infrared analysis, Electron spin resonance spectroscopy, Ultraviolet - Visible Diffuse reflectance spectroscopy, X-ray Photoelectron spectroscopy, P-31 Magic angle spinning Nuclear Magnetic Resonance spectroscopy and Catalytic applications toward Octahydroquinazolinone synthesis. It is found that the n-propylamine is present as sandwich between Vanadyl phosphate layers. Most of the Vanadium is present as V4+ ions in tetrahedral co-ordination. Vanadium n-propylamino phosphate catalyses Octahydroquinazolinone synthesis more effeciently and the optimum conditions required for Octahydroquinazolinone synthesis are, Benzaldehyde (2 mmol), Dimedone (2 mmol), Urea (4 mmol), Methanol + Water (1:1, 5 mL) and Catalyst (0.05 g). A plausible mechanism is also proposed.

}, keywords = {n-propylamino phosphate, octahydroquinazolinones, synthesis, Vanadium}, issn = {1516-1439}, doi = {10.1590/S1516-14392012005000161}, author = {Anumula, Rajini and Nookaraju, Muralasetti and Selvaraj, Kaliaperumal and Reddy, Ingala Ajit Kumar and Narayanan, Venkatathri} } @article { ISI:000313694200024, title = {One pot solvent free synthesis and in vitro antitubercular screening of 3-aracylphthalides against mycobacterium tuberculosis}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {23}, number = {3}, year = {2013}, month = {FEB}, pages = {711-714}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

One pot synthesis of 3-Aracylphthalide was accomplished in good yield by reacting 2-carboxy benzaldehyde with various aromatic methyl ketones in presence of methane sulphonic acid. Various phthalides thus obtained were characterized with spectral techniques. These phthalides were subjected to in vitro antitubercular screening against Mycobacterium tuberculosis H37Ra (MTB) by using XRMA protocol. Among the phthalides screened, four exhibited half maximal inhibitory concentration (IC50) in the range of 0.81-1.24 mu g/ml thereby providing potential lead compounds for future drug discovery studies. (c) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {3-Aracylphthalide, Antitubercular activity, Methane sulphonic acid, One pot synthesis}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2012.11.097}, author = {Limaye, Rohan A. and Kumbhar, Virendra B. and Natu, Arun D. and Paradkar, Madhusudan V. and Honmore, Varsha S. and Chauhan, Rubia R. and Gample, Suvarna P. and Sarkar, Dhiman} } @article { ISI:000316238400025, title = {One pot synthesis, growth mechanism and optical properties of Zn1-xCdxSe graded core/shell and alloy nanocrystals}, journal = {Journal of Luminescence}, volume = {135}, year = {2013}, month = {MAR}, pages = {154-159}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Comparatively higher photoluminescence yield along with robustness of core/shell semiconductor nanocrystals make them attractive candidates for studying intricate quantum size effects. Here, we report, one pot synthesis of Zn1-xCdxSe graded core/shell structures by exploiting change in the reactivity of precursors. Optical and structural measurements indicate formation of graded structure. Growth mechanism probed by inductively coupled plasma atomic emission spectroscopy shows formation of graded core/shell structure, with CdSe rich core and ZnSe rich shell. Annealing these nanocrystals, in chemical bath, leads to diffusion of Cd from core to shell region. Formation of Zn1-xCdxSe alloy is also observed in X-ray photoelectron spectroscopic measurements, confirming the diffusion of Cd from core to shell region. Substantially high photoluminescence quantum efficiency of 60\% with narrow line width of about 27 nm, was observed and is attributable to the reduced strain due to graded core/shell structure. (C) 2012 Elsevier B.V. All rights reserved.

}, keywords = {Graded core/shell, II-VI Semiconductor, Luminescence, Optical properties, Semiconductor alloy}, issn = {0022-2313}, doi = {10.1016/j.jlumin.2012.10.042}, author = {Sonawane, Kiran G. and Patil, K. R. and Mahamuni, Shailaja} } @article {42690, title = {One-pot process for the conversion of aroyl chlorides to acyl thioureas}, number = {US 14/650,778}, year = {2013}, month = {JUL}, type = {Application}, chapter = {PCT/IN2013/000758}, abstract = {

The present invention disclose an improved one pot process for synthesis of acyl thioureas of formula (I), with yield greater than 80\%, from aroyl chlorides of formula (I) wherein, R' is an aryl or a heteroarylene group substituted with one or more groups selected from hydrogen, alkyl, alkylene, alkynyl, alkoxy, alkenyloxy, halo, hydroxyl, nitro, amino, carboxyl, ester, halogenated hydrocarbon or an aryl or heteroaryl; R" and R'" are selected independently from hydrogen, alkyl, alkylene, alkynyl, alkoxy, alkenyloxy, halo, hydroxyl, nitro, amino or halogenated hydrocarbon.

}, author = {Ramana, Chepuri V. and Senthilkumar, B.} } @article { ISI:000314381700030, title = {One-pot synthesis of gold nanoparticle/molybdenum cluster/graphene oxide nanocomposite and its photocatalytic activity}, journal = {Applied Catalysis B-Environmental}, volume = {130}, year = {2013}, month = {FEB}, pages = {270-276}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The paper reports on a facile one-pot synthesis of a tri-component gold nanoparticle/molybdenum cluster/graphene oxide (AuNPs@Mo-GO) nanohybrid composite. The synthetic methodology consists on direct UV irradiation of an aqueous solution containing graphene oxide (GO), Na-2[Mo6Br8(N-3)(6)], HAuCl4 center dot 3H(2)O and isopropanol at room temperature in air using a UV fiber lamp. The composite material exhibits very high photocatalytic activity for the degradation of rhodamine B under visible light irradation. The resulting nanohybrid material was characterized using Raman spectroscopy, UV-vis spectrometry, transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). (c) 2012 Elsevier B.V. All rights reserved.

}, keywords = {gold nanoparticles, graphene oxide, Nanohybrid, Photodegradation, Rhodamine B, visible light, [Mo6Br8(N-3)(6)](2-)cluster}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2012.11.017}, author = {Barras, Alexandre and Das, Manash R. and Devarapalli, Rami Reddy and Shelke, Manjusha V. and Cordier, Stephane and Szunerits, Sabine and Boukherroub, Rabah} } @article { ISI:000315540200007, title = {One-step method for the synthesis of aryl olefins from aryl aldehydes and aliphatic aldehydes}, journal = {Tetrahedron Letters}, volume = {54}, number = {12}, year = {2013}, month = {MAR}, pages = {1528-1530}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A conceptually new one-step reaction affording unexpected aryl olefinic product from aromatic aldehyde, aliphatic aldehyde and malononitrile in the presence of acetic acid-ammonium acetate under mild reaction conditions without using any metal catalyst is reported. This novel reaction was used to prepare a number of substituted aryl olefins including new molecules. (c) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Aliphatic aldehyde, Aromatic aldehyde, Aryl olefin, Dicyanoaniline, Malononitrile}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.01.008}, author = {Borate, Hanumant B. and Gaikwad, Supriya H. and Kudale, Ananada S. and Chavan, Subhash P. and Pharande, Shrikant G. and Wagh, Vitthal D. and Sawant, Vikram S.} } @article { ISI:000314368200002, title = {Optically pure gamma-butyrolactones and epoxy esters via two stereocentered HKR of 3-substituted epoxy esters: a formal synthesis of (-)-paroxetine, Ro 67-8867 and (+)-eldanolide}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {8}, year = {2013}, month = {JAN}, pages = {1280-1285}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The HKR of racemic anti- or syn-3-substituted epoxy esters catalyzed by a Co(III)salen complex provides ready access to the corresponding enantioenriched 3,4-disubstituted gamma-butyrolactones and 3-substituted epoxy esters. This strategy has been successfully employed in the formal synthesis of biologically active 3,4-disubstituted piperidine derivatives, (-)-paroxetine and Ro 67-8867 and a natural product, (+)-eldanolide.

}, issn = {1477-0520}, doi = {10.1039/c3ob27321k}, author = {Devalankar, Dattatray A. and Karabal, Pratibha U. and Sudalai, Arumugam} } @article { ISI:000312999200020, title = {Optimization of the production of a maltooligosaccharides producing amylase from the alkalophilic streptomyces lonarensis strain NCL 716 using SVR modeling}, journal = {Starch-Starke}, volume = {65}, number = {1-2}, year = {2013}, month = {JAN}, pages = {179-185}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The Streptomyces lonarensis strain NCL 716 hydrolyses starch to produce a mixture of maltotriose (G3) and maltotetraose (G4) along with maltose (G2). The objective of the present work was to determine an optimum cost effective media composition for the production of a-amylase from this strain. The most influential factor was found to be starch while the least influential factor found was peptone by PlackettBurman method. Peptone amount was kept constant throughout the fermentation. Peptone, which is one of the expensive media components was used at a concentration of 1?g/L, which made the optimum media composition cost effective. A support vector regression-based process model was developed for approximating the non-linear relationship between the fermentation operating variables and the a-amylase yield. Multicanonical Jump Walk Annealing, a stochastic optimization technique is used to obtain optimal operating variables to maximize amylase yield. The maximum amylase activity thus obtained was in good agreement with the experimental values at the optimized levels. The optimum media composition obtained by this method was: yeast extract: 4.53?g/L, starch: 20.246?g/L, K2HPO4: 0.0827\%, MgSO4: 0.15\%, peptone: 1?g/L. A maximum enzyme activity of 297?U/mL, which was achieved using the above approaches compares well with the activity of reported amylases producing maltooligosaccharides.

}, keywords = {Alkaline a-amylase, Optimization, Streptomyces, Support vector regression analysis}, issn = {0038-9056}, doi = {10.1002/star.201200094}, author = {Sharma, Trupti K. and Bhadane, Vaibhav A. and Kumar, Lalitha S. and Rele, Meenakshi V. and Bhawar, Gajanan and Rahman, Imran} } @article { ISI:000319647600012, title = {Orientation of the beta-hydroxyl group controls the diastereoselectivity during the hydride reduction and grignard reaction of inososes}, journal = {Tetrahedron}, volume = {69}, number = {25}, year = {2013}, month = {JUN}, pages = {5144-5151}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A comparison of the results of the Grignard reaction and the hydride reduction of the carbonyl group of epi- and scyllo-inososes reveals that the extent of diastereoselectivity of these reactions is decided by the orientation of the beta-hydroxyl group (or its derivative). Presence of an axial beta-hydroxyl group generally results in the formation of relatively larger amount of the axial alcohol as a result of the reduction of the carbonyl group. The possible reasons for the observed differences in diastereoselectivity between the reactions of these isomeric epi- and scyllo-inososes have been discussed. The sequence of reactions reported here provides convenient access to C-allcylated inositols, such as iso-laminitol and iso-mytilitol as well as 2-O-methyl epi-inositol, an epimer of the naturally occurring ononitol. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Cyclitol, diastereoselectivity, Grignard, Inositol, Nucleophile, reduction}, issn = {0040-4020}, doi = {10.1016/j.tet.2013.04.081}, author = {Jagdhane, Rajendra C. and Patil, Madhuri T. and Krishnaswamy, Shobhana and Shashidhar, Mysore S.} } @article { ISI:000315168800015, title = {Orthanilic acid-promoted reverse turn formation in peptides}, journal = {Chemical Communications}, volume = {49}, number = {22}, year = {2013}, month = {JAN}, pages = {2222-2224}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Orthanilic acid (2-aminobenzenesulfonic acid, (S)Ant), an aromatic beta-amino acid, has been shown to be highly useful in inducing a folded conformation in peptides. When incorporated into peptide sequences (Xaa-(S)Ant-Yaa), this rigid aromatic beta-amino acid strongly imparts a reverse-turn conformation to the peptide backbone, featuring robust 11-membered-ring hydrogen-bonding.

}, issn = {1359-7345}, doi = {10.1039/c3cc40522b}, author = {Kale, Sangram S. and Priya, Gowri and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000209465100066, title = {Oxidoreductase from {\textquoteleft}Alphonso{\textquoteright} mango catalyzing biosynthesis of furaneol and reduction of reactive carbonyls}, journal = {SpringerPlus}, volume = {2}, year = {2013}, month = {OCT}, pages = {494}, publisher = {SPRINGER INTERNATIONAL PUBLISHING AG}, type = {Article}, address = {GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND}, abstract = {

Two furanones, furaneol (4-hydroxy-2,5-dimethyl-3(2H)-furanone) and mesifuran (2,5-dimethyl-4-methoxy-3(2H)-furanone), are important constituents of flavor of the Alphonso cultivar of mango (Mangifera indica). To get insights into the biosynthesis of these furanones, we isolated an enone oxidoreductase gene from the Alphonso mango. It has high sequence similarity to an alkenal/one oxidoreductase from cucumber (79\% identity) and enone oxidoreductases from tomato (73\% identity) and strawberry (72\% identity). The complete open reading frame was expressed in E. coli and the (his) 6-tagged recombinant protein was purified by affinity chromatography. The purified protein assayed with NADH as a reducing agent converted D-fructose-1,6-diphosphate into furaneol, the immediate precursor of mesifuran. The enzyme was also able to convert two highly reactive carbonyls, 3-buten-2-one and 1-penten-3-one, produced by lipid peroxidation in plants, into their saturated derivatives. Expression profiling in various ripening stages of Alphonso fruits depicted an expression maxima at 10 days after harvest stage, shortly before the appearance of the maximum amount of furanones (completely ripe stage, 15 days after harvest). Although no furanones were detected at the 0 day after harvest stage, significant expression of this gene was detected in the fruits at this stage. Overall, the results suggest that this oxidoreductase plays important roles in Alphonso mango fruits.

}, keywords = {Detoxification, Enone oxidoreductase, Flavor, Mangifera indica, Ripening}, issn = {2193-1801}, doi = {10.1186/2193-1801-2-494}, author = {Kulkarni, Ram and Chidley, Hemangi G. and Deshpande, Ashish and Schmidt, Axel and Pujari, Keshav and Giri, Ashok P. and Gershenzon, Jonathan and Gupta, Vidya} } @article { ISI:000320929200041, title = {Pd ultra-small clusters as precursors for silica-encapsulated Pd nanoreactors: highly sinter-resistant catalysts}, journal = {Chemcatchem}, volume = {5}, number = {7}, year = {2013}, month = {JUL}, pages = {1911-1916}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Sintering and consequent deactivation in supported metal catalysts is a severe problem encountered in heterogeneous catalysis. This problem can be addressed by encapsulating active metal nanoparticles within inert oxides such as silica, provided the oxide shell is porous to enable access of reactant molecules to the nanoparticle surface to facilitate catalysis. We report the synthesis of highly sinter-resistant silica-encapsulated Pd catalysts with nanoparticle sizes stabilized at (3.4 +/- 0.6)nm at high temperatures of approximately 750 degrees C. The synthesis was achieved by utilizing thiol-protected ultra-small clusters of Pd as precursors for silica encapsulation. The ultra-small clusters were synthesized by using propyl ammonium functionalised thiols making them water-dispersible and amenable for silica encapsulation. Abundance of organics also aided in creating porosity subsequent to calcination at high temperatures.

}, keywords = {cluster compounds, Encapsulation, nanoreactors, Palladium, silicates}, issn = {1867-3880}, doi = {10.1002/cctc.201200908}, author = {Samanta, Anupam and Devi, R. Nandini} } @article { ISI:000313764100016, title = {PEEK/SiO2 composites with high thermal stability for electronic applications}, journal = {Electronic Materials Letters}, volume = {9}, number = {1}, year = {2013}, month = {JAN}, pages = {95-100}, publisher = {KOREAN INST METALS MATERIALS}, address = {POSCO CENTER, 4TH FL (EAST WING), 892 DAECHI-4-DONG, KANGNAM-KU, SEOUL 135-777, SOUTH KOREA}, abstract = {

Thermal and mechanical properties of new high performance polymer matrix composites based on poly(etheretherketone) (PEEK) as matrix and crystalline-silica (SiO2) as reinforcement were discussed for application in electronic packaging substrates or printed circuit boards. The content of SiO2 was varied between 0 and 50 wt. \%. Scanning electron microscopy showed uniform dispersion of SiO2 particles in the matrix. Thermogravimetry analysis showed significant increase in thermal stability and char yield with increase in SiO2 content in the matrix. Differential scanning calorimetry showed that SiO2 had a heterogeneous nucleating effect on PEEK, leading to an increase in peak temperature of crystallization and onset crystallization temperature of the composites compared to a pure matrix. The microhardness increased approximately 42\%. A modified rule of mixtures with a strengthening efficiency factor equal to 0.06 fit the data nicely. The results show that the prepared PEEK/SiO2 composites may have potential applications in electronics.

}, keywords = {hardness, PEEK, polymer matrix composites, Thermal properties}, issn = {1738-8090}, doi = {10.1007/s13391-012-2107-x}, author = {Goyal, R. K. and Rokade, K. A. and Kapadia, A. S. and Selukar, B. S. and Garnaik, Baijayantimala} } @article { ISI:000327920600003, title = {Phytase isozymes from aspergillus niger NCIM 563 under solid state fermentation: biochemical characterization and their correlation with submerged phytases}, journal = {Process Biochemistry}, volume = {48}, number = {11}, year = {2013}, month = {NOV}, pages = {1618-1625}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Aspergillus niger NCIM 563 produces dissimilar phytase isozymes under solid state and submerged fermentation conditions. Biochemical characterization and applications of phytase Phy III and Phy IV in SSF and their comparison with submerged fermentation Phy I and Phy III were studied. SSF phytases have a higher metabolic potential as compared to SmF. Phy I is tetramer and Phy II, III and IV are monomers. Phy I and IV have pH optima of 2.5 and Phy II and III have pH optima of 5.0 and 5.6, respectively. Phy I, III and IV exhibited very broad substrate specificity while Phy II was more specific for sodium phytate. SSF phytase is less thermostable as compared to SmF phytase. Phy land II show homology with other known phytases while Phy III and IV show no homology with SmF phytases and any other known phytases from the literature suggesting their unique nature. This is the first report about differences among phytase produced under SSF and SmF by A. niger and this study provides basis for explanation of the stability and catalytic differences observed for these enzymes. Exclusive biochemical characteristics and multilevel application of SSF native phytases determine their efficacy and is exceptional. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {A. niger, Isozymes, Phytase, Solid state fermentation, Submerged fermentation}, issn = {1359-5113}, doi = {10.1016/j.procbio.2013.08.001}, author = {Bhavsar, Kavita P. and Buddhiwant, Priyanka and Soni, Sarvesh K. and Depan, Dilip and Sarkar, Sampa and Khire, Jayant Malhar} } @article {42702, title = {PNN-Ru pincer complexes based on phosphinated 2,2{\textquoteright}-dipyridinemethane- and 2,2{\textquoteright}-oxobispyridine. metal-ligand cooperation in cyclometallation and catalysis}, journal = {Organometallics}, volume = {32}, year = {2013}, month = {MAY}, pages = {2973{\textendash}2982}, abstract = {

The synthesis of novel PNN ruthenium pincer complexes based on 2,2'-dipyridinemethane phosphine derivatives, as well as on 2,2'-oxobispyridine phosphine ligands, and their reactivity toward dearomatization and cyclometalation are described. The dearomatized compounds 7a,b undergo cyclometalation to yield complexes 8a,b. In order for cyclometalation to proceed, the coordination sphere around the Ru center has to rearrange, and this depends on the flexibility of the system, showing that the cyclometalation is qualitatively faster in the case of the dimethyl derivative 7a than in the case of the spyrocyclopentyl derivative 7b. The cyclometalation occurs diastereoselectively and leads to only one diastereomer of the cyclometalated compounds. In the case of the 2,2'-oxobispyridine complex 6c, the dearomatized complex was too unstable to be isolated; however it was possible to isolate and characterize a stable dicarbonyl-dearomatized ruthenium(II) complex, 9c, when the deprotonation was performed under a CO atmosphere. Dearomatization of 6a under CO also led to dicarbonyl-dearomatized ruthenium(II) complex 9a, which slowly rearranged into the dicarbonyl-aromatized ruthenium(0) complex 10a. These complexes were tested in catalytic alcohol{\textendash}amine coupling, esterification of primary alcohols, and hydrogenation of secondary amides. Moderate activity was observed in hydrogenation of amides to alcohols and amines and low activity in the other transformations, owing mainly to the formation of stable cyclometalated compounds.

}, doi = {10.1021/om400194w}, author = {Barrios-Francisco, Rigoberto and Balaraman, Ekambaram and Diskin-Posner, Yael and Leitus, Gregory and Shimon, Linda J. W. and Milstein, David} } @article { ISI:000326481200003, title = {Polymer solar cells}, journal = {Journal of Materials Education}, volume = {35}, number = {3-4}, year = {2013}, month = {SEP}, pages = {79-119}, publisher = {INT COUNCIL MATERIALS EDUCATION}, address = {UNIV N TEXAS, 1155 UNION CIRCLE \#30510, DENTON, TX 76203-5017 USA}, abstract = {

It is a well known fact that the amount of solar energy impinging on the earth{\textquoteright}s surface in one hour is higher than the worldwide energy demand per year. Solar energy is the ultimate renewable zero emission energy source. Solar energy technology which is dominated by the crystalline silicon has not found widespread acceptance due to size, weight, aesthetics, cost and installation of solar panels. On the other hand, polymer solar cells being light weight, inexpensive, colorful and capable to be fabricated into large area flexible devices by roll to roll processes, portend potential for large scale non-grid and grid power generation applications. Polymer solar cells would reduce the need for petroleum and natural gas for power generation; therefore, the use of cells would slow down the disappearance of non-renewable resources and promote sustainability. In spite of these facts, polymer solar cells are not covered in current curricula and textbooks of Materials Science and Engineering. The present article intends to provide the remedy to this situation and exhaustively discusses materials, mechanisms and applications in the development of highly efficient polymer solar cells (PSCs).

}, keywords = {Bulk heterojunction polymer solar cells, Electron acceptors, Electron donors, Inverted and Tandem solar cells, Roll to roll processing, Solar cell efficiency}, issn = {0738-7989}, author = {Singh, Ram Prakash and Kushwaha, Omkar Singh} } @article { ISI:000335399700017, title = {Polymer solar cells: an overview}, journal = {Macromolecular Symposia}, volume = {327}, number = {1}, year = {2013}, note = {Kathmandu Symposia on Advanced Materials (KaSAM), Nepal Polymer Inst, Kathmandu, NEPAL, MAY 09-12, 2012}, month = {MAY}, pages = {128-149}, publisher = {Tribhuvan Univ; Kathmandu Univ; Univ Rouen; Int Union Pure \& Appl Chem}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Polymer Solar cells being flexible, light weight, inexpensive, colorful and large area devices, portend potential for large scale grid power generation. The first major breakthrough in organic solar cell performance came in 1986 when Tang discovered that much higher efficiencies about 1\% can be attained when electron donor (D) and electron acceptor (A) are brought together in one cell. With the discovery of photo induced electron transfer from a conjugated polymer to fullerene molecules in 1992, the bulk heterojunction (BHJ) polymer solar cell has become the most successful device structure developed in the field till date. Poly(3-hexyl thiophene) (P3HT) has been the subject of intensive investigations upto 2008 yielding power conversion efficiencies (PCEs) around 5-6\%. OPV technology has grown during the past decade with cell efficiencies quadrupling. As alternative route of higher performance, two or more single cells can be combined in tandem structure. The most efficient tandem organic solar cell reported by Yang Yang{\textquoteright}s group has 8.62\% power conversion efficiency (PCE) which has been further improved with an NREL - certified PCE of 10.6\%. An overview of the above will be presented in this paper.

}, keywords = {bulk heterojunction, electron acceptor, electron donor, fullerenes, polymer solar cells}, issn = {1022-1360}, doi = {10.1002/masy.201350516}, author = {Singh, Ram Prakash and Kushwaha, Omkar Singh} } @article { ISI:000315370000010, title = {Polyproline fold-In imparting kinetic stability to an alkaline serine endopeptidase}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1834}, number = {3}, year = {2013}, month = {MAR}, pages = {708-716}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Polyproline II (PPII) fold, an unusual structural element was detected in the serine protease from Nocardiopsis sp. NCIM 5124 (NprotI) based on far UV circular dichroism spectrum, structural transitions of the enzyme in presence of GdnHCl and a distinct isodichroic point in chemical and thermal denaturation. The functional activity and conformational transitions of the enzyme were studied under various denaturing conditions. Enzymatic activity of NprotI was stable in the vicinity of GdnHCl upto 6.0 M concentration, organic solvents viz, methanol, ethanol, propanol (all 90\% v/v), acetonitrile (75\% v/v) and proteases such as trypsin, chymottypsin and proteinase K (NprotI:protease 10:1). NprotI seems to be a kinetically stable protease with a high energy barrier between folded and unfolded states. Also, an enhancement in the activity of the enzyme was observed in 1 M GdnHCl upto 8 h, in organic solvents (75\% v/v) for 72 h and in presence of proteolytic enzymes. The polyproline fold remained unaltered or became more prominent under the above mentioned conditions. However, it diminished gradually during thermal denaturation above 60 degrees C. Thermal transition studies by differential scanning calorimetry (DSC) showed scan rate dependence as well as irreversibility of denaturation, the properties characteristic of kinetically stable proteins. This is the first report of PPII helix being the global conformation of a non structural protein, an alkaline serine protease, from a microbial source, imparting kinetic stability to the protein. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Conformation, differential scanning calorimetry, Kinetic stability, Nocardiopsis sp., Polyproline fold, Serine protease}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2012.12.007}, author = {Rohamare, Sonali B. and Dixit, Vaishali and Nareddy, Pavan Kumar and Sivaramakrishna, D. and Swamy, Musti J. and Gaikwad, Sushama M.} } @article { ISI:000323842900082, title = {Preparation-method-dependent morphological, band structural, microstructural, and photocatalytic properties of noble metal-GaNbO4 nanocomposites}, journal = {RSC Advances}, volume = {3}, number = {37}, year = {2013}, month = {JUL}, pages = {16817-16828}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report the distinct physicochemical and photophysical properties of gallium niobate photocatalysts (bandgap: similar to 3.1 eV), prepared by a solid-state (SS) reaction and sol-gel (SG) method and dispersed with a noble metal (similar to 0.5\% of Pt, Au, or RuOx) cocatalyst. SG-GaNbO4 comprised smaller size particles (similar to 20-50 nm) and a larger surface area (similar to 160 m(2) g(-1)) compared to SS-GaNbO4 (particle size similar to 30-150 nm, surface area similar to 27 m(2) g(-1)). XRD patterns revealed a preparation-dependent variation in the relative intensity of prominent reflections. In TEM examination, SG samples exhibited small-range grain boundaries and heterogeneous metal/substrate interfacial contacts, while SS-GaNbO4 had long-range ordering. Laser-Raman and thermoluminescence investigations revealed that lattice distortion, defect-induced inter-bandgap charge trapping states, and the local environment around the metal/semiconductor interfaces may also depend on the preparation method. Metal-GaNbO4 nanocomposites showed no activity for the dissociation of pure water under UV (\>250 nm) irradiation, despite the favourable conduction and valence band potentials. This was attributed to the sharp Ga and Nb d-levels in the narrow conduction band of GaNbO4, as confirmed by ab initio electronic structure calculation. These photocatalysts, however, showed good activity for semiconductor-mediated photo-dissociation of aqueous methanol to produce H-2; a cocatalyst-dependent activity trend, Pt \> RuOx \> Au, was observed. Doping of S at similar to 5\% of the oxygen sites led to decreased photoactivity, ascribed to the presence of localized S 3p states just above the O 2p valence level. In conclusion, besides band characteristics, certain morphological and microstructural properties play a crucial role in the photoactivity of the metal/oxide nanocomposites.

}, issn = {2046-2069}, doi = {10.1039/c3ra43477j}, author = {Devi, Suman and Kelkar, Sarika A. and Kashid, Vikas and Salunke, Hemant G. and Gupta, Narendra M.} } @article { ISI:000315707900026, title = {Probing the acidity of carboxylic acids in protic ionic liquids, water, and their binary mixtures: activation energy of proton transfer}, journal = {Journal of Physical Chemistry B}, volume = {117}, number = {8}, year = {2013}, month = {FEB}, pages = {2456-2465}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Acidity functions were used to express the ability of a solvent/solution to donate/accept a proton to a solute. The present work accounts for the acidity determination of HCOOH, CH3COOH, and CH3CH2COOH in the alkylimidazolium-based protic ionic liquids (PILs), incorporated with carboxylate anion, water, and in a binary mixture of PIL and water using the Hammett acidity function, H-0. A reversal in the acidity trend was observed, when organic acids were transferred from water to PIL. It was emphasized that an increased stabilization offered by PIL cation toward the more basic conjugate anion of organic acid was responsible for this anomalous change in acidity order in PILs, which was absent in water. The greater stabilization of a basic organic anion by PIL cation is discussed in terms of the stable hard-soft acid base (HSAB) pairing. A change in the H-0 values of these acids was observed with a change in temperature, and a linear correlation between the ln H-0 and 1/T was noted. This relationship points toward the activation energy of proton transfer (E-a,E-H+), a barrier provided by the medium during the proton transfer from Bronsted acid to indicator. The H-0 function in binary mixtures points to the involvement of pseudosolvent, the behavior of which changes with the nature and concentration of acid. The presence of the maxima/minima in the H-0 function is discussed in terms of the synergetic behavior of the pseudosolvent composed of the mixtures of aqueous PILs.

}, issn = {1520-6106}, doi = {10.1021/jp310927w}, author = {Shukla, Shashi Kant and Kumar, Anil} } @article { ISI:000324842900004, title = {Probing the active site of cinnamoyl CoA reductase 1 (Ll-CCRH1) from Leucaena leucocephala}, journal = {International Journal of Biological Macromolecules}, volume = {60}, year = {2013}, month = {SEP}, pages = {33-38}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Lack of three dimensional crystal structure of cinnamoyl CoA reductase (CCR) limits its detailed active site characterization studies. Putative active site residues involved in the substrate/NADPH binding and catalysis for Leucaena leucocephala CCR (Ll-CCRH1; GenBank: DQ986907) were identified by amino acid sequence alignment and homology modeling. Putative active site residues and proximal H215 were subjected for site directed mutagenesis, and mutated enzymes were expressed, purified and assayed to confirm their functional roles. Mutagenesis of S136, Y170 and K174 showed complete loss of activity, indicating their pivotal roles in catalysis. Mutant S212G exhibited the catalytic efficiencies less than 10\% of wild type, showing its indirect involvement in substrate binding or catalysis. R51G, D77G, F30V and I31N double mutants showed significant changes in K-m values, specifying their roles in substrate binding. Finally, chemical modification and substrate protection studies corroborated the presence Ser, Tyr, Lys, Arg and carboxylate group at the active site of Ll-CCRH1. (c) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Chemical modification, Cinnamoyl CoA reductase 1, Docking simulations, homology modeling, Site directed mutagenesis, Substrate protection}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.05.005}, author = {Sonawane, Prashant and Patel, Krunal and Vishwakarma, Rishi Kishore and Srivastava, Sameer and Singh, Somesh and Gaikwad, Sushama M. and Khan, Bashir Mohammad} } @article { ISI:000325642800010, title = {Production, purification and characterization of cholesterol oxidase from a newly isolated streptomyces sp.}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {29}, number = {11}, year = {2013}, month = {NOV}, pages = {2077-2085}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Cholesterol oxidase production (COD) by a new isolate characterized as Streptomyces sp. was studied in different production media and fermentation conditions. Individual supplementation of 1 \% maltose, lactose, sucrose, peptone, soybean meal and yeast extract enhanced COD production by 80-110 \% in comparison to the basal production medium (2.4 U/ml). Supplementation of 0.05 \% cholesterol (inducer) enhanced COD production by 150 \%. COD was purified 14.3-fold and its molecular weight was found to be 62 kDa. V-max (21.93 mu M/min mg) and substrate affinity K-m (101.3 mu M) suggested high affinity of the COD for cholesterol. In presence of Ba2+ and Hg2+ the enzyme activity was inhibited while Cu2+ enhanced the activity nearly threefold. Relative activity of the enzyme was found maximum in triton X-100 whereas sodium dodecyl sulfate inactivated the enzyme. The enzyme activity was also inhibited by the thiol-reducing reagents like Dithiothreitol and beta-mercaptoethanol. The COD showed moderate stability towards all organic solvents except acetone, benzene and chloroform. The activity increased in presence of isopropanol and ethanol. The enzyme was most active at pH 7 and 37 A degrees C temperature. This organism is not reported to produce COD.

}, keywords = {Affinity chromatography, Cholesterol oxidase, HPLC, SDS PAGE, Streptomyces sp.}, issn = {0959-3993}, doi = {10.1007/s11274-013-1371-8}, author = {Niwas, Ram and Singh, Vineeta and Singh, Rajbir and Tripathi, Divya and Tripathi, C. K. M.} } @article { ISI:000318917000003, title = {Proline catalyzed sequential alpha-aminooxylation or -amination/reductive cyclization of o-nitrohydrocinnamaldehydes: a high yield synthesis of chiral 3-substituted tetrahydroquinolines}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {22}, year = {2013}, month = {APR}, pages = {3608-3611}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new sequential organocatalytic method for the synthesis of chiral 3-substituted (X = OH, NH2) tetrahydroquinoline derivatives (THQs) [ee up to 99\%, yield up to 87\%] based on alpha-aminooxylation or -amination followed by reductive cyclization of o-nitrohydrocinnamaldehydes has been described. This methodology has been efficiently demonstrated in the synthesis of two important bioactive molecules namely (-)-sumanirole (96\% ee) and 1-[(S)-3-(dimethylamino)-3,4-dihydro-6,7-dimethoxy-quinolin-1(2H)-yl]- propanone (92\% ee).

}, issn = {1477-0520}, doi = {10.1039/c3ob40320c}, author = {Rawat, Varun and Kumar, B. Senthil and Sudalai, Arumugam} } @article { ISI:000325608800002, title = {Proteome wide reduction in AGE modification in streptozotocin induced diabetic mice by hydralazine mediated transglycation}, journal = {Scientific Reports}, volume = {3}, year = {2013}, month = {OCT}, pages = {2941}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

The non-enzymatic reaction between glucose and protein can be chemically reversed by transglycation. Here we report the transglycation activity of hydralazine using a newly developed MALDI-TOF-MS based assay. Hydralazine mediated transglycation of HbA1c, plasma proteins and kidney proteins was demonstrated in streptozotocin (STZ) induced diabetic mice, as evidenced by decrease in protein glycation, as well as presence of hydralazine-glucose conjugate in urine of diabetic mice treated with hydralazine. Hydralazine down regulated the expression of Receptor for Advanced Glycation End products (RAGE), NADPH oxidase (NOX), and super oxide dismutase (SOD). These findings will provide a new dimension for developing intervention strategies for the treatment of glycation associated diseases such as diabetes complications, atherosclerosis, and aging.

}, issn = {2045-2322}, doi = {10.1038/srep02941}, author = {Kesavan, Suresh K. and Bhat, Shweta and Golegaonkar, Sandeep B. and Jagadeeshaprasad, Mashanipalya G. and Deshmukh, Arati B. and Patil, Harshal S. and Bhosale, Santosh D. and Shaikh, Mahemud L. and Thulasiram, Hirekodathakallu V. and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000313764300025, title = {Proteomic study reveals downregulation of apolipoprotein A1 in plasma of poorly controlled diabetes: a pilot study}, journal = {Molecular Medicine Reports}, volume = {7}, number = {2}, year = {2013}, month = {FEB}, pages = {495-498}, publisher = {SPANDIDOS PUBL LTD}, address = {POB 18179, ATHENS, 116 10, GREECE}, abstract = {

Proteomic approaches aid in gaining a better understanding of the pathophysiology of diabetic complications. In view of this, differential protein expression in diabetic plasma samples was studied by a combination of proteomic and western blot analyses. Diabetic plasma samples were categorized based on glycated haemoglobin levels as controlled diabetes (CD; 7-8\%), poorly controlled diabetes (PCD; \>8\%) and non-diabetic control (ND;\<6.4\%). Two-dimensional electrophoresis and liquid chromatography-mass spectrometry revealed differential expression of proteins including upregulation of fibrinogen and haptoglobin and downregulation of vitamin D binding protein, alpha-1-antitrypsin, transthyretin and apolipoprotein A1 (Apo A1) in diabetic compared with non-diabetic plasma samples. Amongst these proteins, Apo A1 downregulation was prominent in PCD. Downregulation of Apo A1 may serve as an early predictive marker of diabetic complications.

}, keywords = {biomarker, HbA1c, proteomics}, issn = {1791-2997}, doi = {10.3892/mmr.2012.1223}, author = {Bhonsle, Hemangi S. and Korwar, Arvind M. and Chougale, Ashok D. and Kote, Sachin S. and Dhande, Nitin L. and Shelgikar, Kishore M. and Kulkarni, Mahesh J.} } @article { ISI:000321431600027, title = {Proton-conducting supramolecular metallogels from the lowest molecular weight assembler ligand: a quote for simplicity}, journal = {Chemistry-A European Journal}, volume = {19}, number = {29}, year = {2013}, month = {JUL}, pages = {9562-9568}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Oxalic acid has been proven to be the lowest molecular weight organic ligand able to form robust supramolecular metallogel networks in the presence of metal salts. In particular, two novel multifunctional metallogels were readily prepared at room temperature by simple mixing of stock solutions of Cu-II acetate monohydrate or Cu-II perchlorate hexahydrate and oxalic acid dihydrate. Formation of different polymorphs and unprecedented proton conduction under anhydrous conditions were also demonstrated with some of these materials.

}, keywords = {Copper, low-molecular-weight ligands, metallogels, proton conductivity, supramolecular chemistry}, issn = {0947-6539}, doi = {10.1002/chem.201204542}, author = {Saha, Subhadeep and Schoen, Eva-Maria and Cativiela, Carlos and Diaz, David Diaz and Banerjee, Rahul} } @article {42741, title = {Rational design of highly active {\textquotedblleft}hybrid{\textquotedblright} phosphine-phosphinite pincer iridium catalysts for alkane metathesis}, journal = {ACS Catalysis}, volume = {3}, year = {2013}, month = {SEP}, pages = {2505{\textendash}2514}, abstract = {

Both the bisphosphine and bisphosphinite pincer complexes (tBu4PCP)IrH2 and (tBu4POCOP)IrH2 can cocatalyze alkane metathesis in tandem with olefin metathesis catalysts, but the two complexes have different resting states during catalysis, suggesting that different steps are turnover-limiting in each case. This led to the hypothesis that a complex with intermediate properties would be catalytically more active than either of these two species. Accordingly, {\textquotedblleft}hybrid{\textquotedblright} phosphine{\textendash}phosphinite pincer ligands (PCOP) and the corresponding iridium complexes were synthesized (3c{\textendash}e). In tandem with olefin-metathesis catalyst MoF12, (tBu4PCOP)IrH2 displays significantly higher activity for the metathesis of n-hexane than does (tBu4PCP)IrH2 or (tBu4POCOP)IrH2. (tBu2PCOPiPr2)IrH4 (3d) is even more active (\>30-fold more active than (tBu4POCOP)IrH2) and affords nearly 4.6 M alkane products after 8 h at 125 {\textdegree}C.

}, doi = {10.1021/cs400624c}, author = {Nawara-Hultzsch, Agnieszka J. and Hackenberg, Jason D. and Punji, Benudhar and Supplee, Carolyn and Emge, Thomas J. and Bailey, Brad C. and Schrock, Richard R. and Brookhart, Maurice and Goldman, Alan S.} } @article { ISI:000326946900004, title = {Rationally designed CuFe2O4-mesoporous Al2O3 composite towards stable performance of high temperature water-gas shift reaction}, journal = {Chemical Communications}, volume = {49}, number = {96}, year = {2013}, month = {JUL}, pages = {11257-11259}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

High temperature water-gas shift reaction was demonstrated for the first time on a CuFe2O4-mesoporous alumina nanocomposite between 350 and 550 degrees C with 70-80\% CO-conversion using simulated waste derived syngas under realistic conditions. Despite high Al-content, the catalyst exhibited stable activity, which was attributed to the nano-architectured robust porous nature of alumina integrated with surrounding CuFe2O4.

}, issn = {1359-7345}, doi = {10.1039/c3cc43699c}, author = {Subramanian, Vijayanand and Gnanakumar, Edwin S. and Jeong, Dae-Woon and Han, Won-Bi and Gopinath, Chinnakonda S. and Roh, Hyun-Seog} } @article {PACHFULE, title = {Realistic host-vector transmission model for describing malaria prevalence pattern}, journal = {Bulletin of Mathematical Biology}, volume = {75}, number = {12}, year = {2013}, month = {DEC}, pages = {2499-2528}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Malaria continues to be a major public health concern all over the world even after effective control policies have been employed, and considerable understanding of the disease biology have been attained, from both the experimental and modelling perspective. Interactions between different general and local processes, such as dependence on age and immunity of the human host, variations of temperature and rainfall in tropical and sub-tropical areas, and continued presence of asymptomatic infections, regulate the host-vector interactions, and are responsible for the continuing disease prevalence pattern. In this paper, a general mathematical model of malaria transmission is developed considering short and long-term age-dependent immunity of human host and its interaction with pathogen-infected mosquito vector. The model is studied analytically and numerically to understand the role of different parameters related to mosquitoes and humans. To validate the model with a disease prevalence pattern in a particular region, real epidemiological data from the north-eastern part of India was used, and the effect of seasonal variation in mosquito density was modelled based on local climactic data. The model developed based on general features of host-vector interactions, and modified simply incorporating local environmental factors with minimal changes, can successfully explain the disease transmission process in the region. This provides a general approach toward modelling malaria that can be adapted to control future outbreaks of malaria.

}, keywords = {Basic reproduction number, Environmental effects, Malaria model, Prevalence data, Stability analysis}, issn = {0092-8240}, doi = {10.1007/s11538-013-9905-7}, author = {Mandal, Sandip and Sinha, Somdatta and Sarkar, Ram Rup} } @article { ISI:000326495000058, title = {Relating pore hydrophilicity with vapour adsorption capacity in a series of amino acid based metal organic frameworks}, journal = {CrystEngComm}, volume = {15}, number = {45}, year = {2013}, month = {AUG}, pages = {9634-9640}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new Zn based porous homochiral metal-organic framework, ThrZnOAc, belonging to unh topology, has been synthesized using pyridyl functionalized threonine and Zn(OAc)(2) as the metal precursor. Stepwise substitution of the homochiral MOF backbone by simply changing the sidearm of the amino acids (isopropyl in the case of valine, methyl in alanine and hydroxyethyl in threonine) resulted in increased water adsorption in ThrZnOAc compared to the previously reported ValZnOAc/AlaZnOAc. Extensive solvent sorption isotherms (water, methanol, isopropanol and toluene) have been carried out, which revealed high solvophilic interaction with polar solvents in ThrZnOAc due to the polar pore [2-hydroxyethyl {-CH(OH)CH3} sidearm of the amino acid], which is not prominent in the corresponding valine/alanine counterparts. The aforementioned functionalization in a series of isostructural amino acid based MOFs with the only difference being in the sidearm and their emergence as enhanced solvophilic materials is unprecedented in the MOF literature.

}, issn = {1466-8033}, doi = {10.1039/c3ce41083h}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Banerjee, Rahul} } @article {42863, title = {Relay catalytic branching cascade: technique to access diverse molecular scaffolds}, journal = {Angewandte Chemie International Edition}, volume = {52}, year = {2013}, month = {JAN}, pages = {2251-2255}, doi = {10.1002/anie.201208738}, author = {Patil, Nitin T. and Shinde, Valmik S. and Sridhar, Balasubramanian} } @article {42620, title = {Resistome analysis of mycobacterium tuberculosis: identification of aminoglycoside 2{\textquoteright}-nacetyltransferase (AAC) as co-target for drug desigining}, journal = {Bioinformation}, volume = {9}, year = {2013}, month = {FEB}, pages = {174-181}, abstract = {

The emergence of multidrug resistant tuberculosis (MDRTB) highlights the urgent need to understand the mechanisms of resistance to the drugs and to develop a new arena of therapeutics to treat the disease. Ethambutol, isonazid, pyrazinamide, rifampicin are first line of drugs against TB, whereas aminoglycoside, polypeptides, fluoroquinolone, ethionamide are important second line of bactericidal drugs used to treat MDRTB, and resistance to one or both of these drugs are defining characteristic of extensively drug resistant TB. We retrieved 1,221 resistant genes from Antibiotic Resistance Gene Database (ARDB), which are responsible for resistance against first and second line antibiotics used in treatment of Mycobacterium tuberculosis infection. From network analysis of these resistance genes, 53 genes were found to be common. Phylogenetic analysis shows that more than 60\% of these genes code for acetyltransferase. Acetyltransferases detoxify antibiotics by acetylation, this mechanism plays central role in antibiotic resistance. Seven acetyltransferase (AT-1 to AT-7) were selected from phylogenetic analysis. Structural alignment shows that these acetyltransferases share common ancestral core, which can be used as a template for structure based drug designing. From STRING analysis it is found that acetyltransferase interact with 10 different proteins and it shows that, all these interaction were specific to M. tuberculosis. These results have important implications in designing new therapeutic strategies with acetyltransferase as lead co-target to combat against MDR as well as Extreme drug resistant (XDR) tuberculosis.

}, doi = {10.6026/97320630009174}, author = {Joshi R. S. and Jamdhade M. D. and Sonawane M. S. and Giri, Ashok P.} } @article { ISI:000318917900005, title = {Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability}, journal = {Chemical Communications}, volume = {49}, number = {46}, year = {2013}, month = {APR}, pages = {5262-5264}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{Eight Zn-based porous (1.2 nm) homochiral MOFs (ValZnX, AlaZnX

}, issn = {1359-7345}, doi = {10.1039/c3cc41842a}, author = {Kundu, Tanay and Sahoo, Subash Chandra and Saha, Subhadeep and Banerjee, Rahul} } @article { ISI:000326716300008, title = {Seasonal prediction of Indian summer monsoon in NCEP coupled and uncoupled model}, journal = {Theoretical and Applied Climatology}, volume = {114}, number = {3-4}, year = {2013}, month = {NOV}, pages = {459-477}, publisher = {SPRINGER WIEN}, address = {SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA}, abstract = {

This study has identified probable factors that govern ISMR predictability. Furthermore, extensive analysis has been performed to evaluate factors leading to the predictability aspect of Indian Summer Monsoon Rainfall (ISMR) using uncoupled and coupled version of National Centers for Environmental Prediction Coupled Forecast System (CFS). It has been found that the coupled version (CFS) has outperformed the uncoupled version [Global Forecast System (GFS)] of the model in terms of prediction of rainfall over Indian land points. Even the spatial distribution of rainfall is much better represented in the CFS as compared to that of GFS. Even though these model skills are inadequate for the reliable forecasting of monsoon, it imparts the capacious knowledge about the model fidelity. The mean monsoon features and its evolution in terms of rainfall and large-scale circulation along with the zonal and meridional shear of winds, which govern the strength of the monsoon, are relatively closer to the observation in the CFS as compared to the GFS. Furthermore, sea surface temperature-rainfall relation is fairly realistic and intense in the coupled version of the model (CFS). It is found that the CFS is able to capture El Nio Southern Oscillation ISMR (ENSO-ISMR) teleconnections much strongly as compared to GFS; however, in the case of Indian Ocean Dipole ISMR teleconnections, GFS has the larger say. Coupled models have to be fine-tuned for the prediction of the transition of El Nio as well as the strength of the mature phase has to be improved. Thus, to sum up, CFS tends to have better predictive skill on account of following three factors: (a) better ability to replicate mean features, (b) comparatively better representation of air-sea interactions, and (c) much better portrayal of ENSO-ISMR teleconnections. This study clearly brings out that coupled model is the only way forward for improving the ISMR prediction skill. However, coupled model{\textquoteright}s spurious representation of SST variability and mean model bias are detrimental in seasonal prediction.

}, issn = {0177-798X}, doi = {10.1007/s00704-013-0854-8}, author = {Chaudhari, Hemantkumar S. and Pokhrel, Samir and Mohanty, Sachiko and Saha, Subodh K.} } @article { ISI:000329137400042, title = {Selective imaging of quorum sensing receptors in bacteria using fluorescent Au nanocluster probes surface functionalized with signal molecules}, journal = {ACS Applied Materials \& Interfaces}, volume = {5}, number = {24}, year = {2013}, month = {DEC}, pages = {13076-13081}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Fluorescent ultrasmall gold clusters decorated with bacterial quorum sensing signal molecules, acyl homoserine lactone, are synthesized. These fluorescent probes are found to have emission in the near-infrared spectral region advantageous for bioimaging. Imaging studies using different. strains of bacteria with and without acyl homoserine lactone receptors with the aid of confocal microscopy have shown that the probe interacts preferentially with cells possessing these receptors. This indicates that, with appropriate surface functionalization, the Au clusters can be used for receptor specific detection with enhanced selectivity.

}, keywords = {Au nanoclusters, Biosensor, fluorescence imaging, quorum sensing}, issn = {1944-8244}, doi = {10.1021/am404093m}, author = {Mukherji, Ruchira and Samanta, Anupam and Illathvalappil, Rajith and Chowdhury, Somak and Prabhune, Asmita and Devi, R. Nandini} } @article { ISI:000316847500014, title = {Self-assembly in tailor-made polyfluorenes: synergistic effect of porous spherical morphology and fret for visual sensing of bilirubin}, journal = {Macromolecules}, volume = {46}, number = {6}, year = {2013}, month = {MAR}, pages = {2159-2171}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two new fluorene-based homo- (PDP-PF) and copolymers (PDPPF-co-Ph) were synthesized with a bulky 3-pentadecylphenoxy (PDP) group appended hexyl chains at the 9, 9{\textquoteright} position using Suzuki coupling polymerization. Investigation on the morphology of the polymers using microscopic techniques like TEM and AFM indicated formation of self-assembled nanostructures like vesicles by PDP-PF and porous spheres by PDPPF-co-Ph respectively. Dynamic as well as static light scattering studies (DLS, SLS) in THF also indicated the existence of self-assembled nanosized particles in solution with a shape factor (rho) of 0.76 and 0.96 for PDP-PF and PDPPF-co-Ph, respectively, confirming the existence of vesicles in the case of the former and spherical particles in the case of the latter polymer. The favorable photophysical properties of the polyfluorenes were taken advantage of for the selective sensing of unbound bilirubin (BR) in THF. A high energy transfer efficiency of 86\% upon addition of bilirubin with color change from blue (polyfluorene emission) to green (FRET-induced bilirubin emission) was observed with PDPPF-co-Ph. Steady state fluorescence measurements gave a minimum donor-acceptor distance of 36 A(0) and time-resolved fluorescence decay measurements showed a reduction in average lifetime of PDPPF-co-Ph (from 450 to 240 ps) upon addition of bilirubin indicating efficient energy transfer. The open porous spherical assembly of PDPPF-co-Ph enabled better adsorption of the analyte, which along with the good spectral overlap resulted in greater efficiency for FRET-induced energy transfer. Sensing of unbound bilirubin was also attempted in THF/water solvent mixture in an effort to simulate the unbound (THF soluble) and bound (water-soluble) bilirubin equilibrium. Enhancement of bilirubin emission coupled with quenching of polyfluorene emission makes this approach adaptable for visual fluorimetric color change (blue to green) based sensor. Structural analogues such as biliverdin and porphyrin showed poor fluorescence quenching efficiency, thus highlighting the selectivity and sensitivity of the FRET-based sensing of bilirubin by the newly designed polyfluorene.

}, issn = {0024-9297}, doi = {10.1021/ma4000946}, author = {Senthilkumar, T. and Asha, S. K.} } @article {42493, title = {Self-assembly of modified rhodamine-6G with tri-block copolymer: unusual vesicles formation, pH sensing and dye release properties}, journal = {Journal of Materials Chemistry B}, volume = {1}, year = {2013}, month = {DEC}, pages = {1150-1155}, abstract = {

A new rhodamine-6G derivative having a C18-alkyl chain self-assembles with an amphiphilic tri-block copolymer and forms stable vesicles in water or in water{\textendash}ethanol (4 : 1, v/v) medium. The stability of the spirolactam form of the rhodamine-6G derivative in these vesicular structures, along with studies of controlled dye release and pH sensing are discussed. Transmission electron micrographs and DLS analyses confirm the formation of vesicular structures. Atomic force microscopy (AFM) images show that the self assembled tri-block copolymer-octadecyl rhodamine vesicles form near spherical nanostructures with a size ranging from 80 to 110 nm. Furthermore, the vesicular system is disassembled under acidic conditions, releasing the cargo which are an integral part of the vesicle. Dye-release studies showed that the release rates of the loaded dye in the vesicles could be well-controlled as a function of the media pH. These results offer an opportunity to use these nanovesicles as imaging reagents for probing media pH with their simultaneous use as nanocarriers for intracellular drug delivery.

}, doi = {10.1039/C2TB00193D}, author = {Praveen, L. and Saha, Sukdeb and Jewrajka, Suresh K. and Das, Amitava} } @article {43289, title = {Self-assembly to function: design, synthesis and broad spectrum antimicrobial properties of short hybrid E-vinylogous lipopeptides}, journal = {Journal of Medicinal Chemistry}, volume = {56}, year = {2013}, month = {NOV}, pages = {8468-8474}, abstract = {Nonribosomal E-vinylogous gamma-amino acids are widely present in many peptide natural products and have been exploited as inhibitors for serine and cysteine proteases. Here, we are reporting the broad spectrum antimicrobial properties and self-assembled nanostructures of various hybrid lipopeptides composed of 1:1 alternating alpha-and E-vinylogous residues. Analysis of the results revealed that self-assembled nanostructures also play a significant role in the antimicrobial and hemolytic activities. In contrast to the alpha-peptide counterparts, vinylogous hybrid peptides displayed excellent antimicrobial properties against various bacterial and fungal strains. Peptides that adopted nanofiber structures displayed less hemolytic activity, while peptides that adopted nanoneedle structures displayed the highest hemolytic activity.}, doi = {10.1021/jm400884w}, author = {Shankar, S. Shiva and Benke, Sushil N. and Nagendra, Narem and Srivastava, Prabhakar Lal and Thulasiram, Hirekodathakallu V. and Gopi, Hosahudya N.} } @article {43232, title = {Sensing behavior of atomically thin-layered MoS2 transistors}, journal = {ACS Nano}, volume = {7}, year = {2013}, month = {JUN}, pages = {4879-4891}, abstract = {Most of recent research on layered chalcogenides is understandably focused on single atomic layers. However, it is unclear if single-layer units are the most ideal structures for enhanced gas solid interactions. To probe this issue further, we have prepared large-area MoS2 sheets ranging from single to multiple layers on 300 nm SiO2/Si substrates using the micromechanical exfoliation method. The thickness and layering of the sheets were identified by optical microscope, invoking recently reported specific optical color contrast, and further confirmed by AFM and Raman spectroscopy. The MoS2 transistors with different thicknesses were assessed for gas-sensing performances with exposure to NO2, NH3, and humidity in different conditions such as gate bias and light Irradiation. The results show that, compared to the single-layer counterpart, transistors of few MoS2 layers exhibit excellent sensitivity, recovery, and ability to be manipulated by gate bias and green light. Further, our ab initio DFT calculations on single-layer and bilayer MoS2 show that the charge transfer is the reason for the decrease in resistance in the presence of applied field.}, doi = {10.1021/nn400026u}, author = {Late, Dattatray J. and Huang, Yi-Kai and Liu, Bin and Acharya, Jagaran and Shirodkar, Sharmila N. and Luo, Jiajun and Yan, Aiming and Charles, Daniel and Waghmare, Umesh V. and Dravid, Vinayak P. and Rao, C. N. R.} } @article { ISI:000325943200033, title = {Sequence dependent lipid-mediated effects modulate the dimerization of ErbB2 and its associative mutants}, journal = {Physical Chemistry Chemical Physics}, volume = {15}, number = {43}, year = {2013}, month = {SEP}, pages = {19031-19041}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The association of transmembrane helices is an important event in several biological processes, but the factors governing association, especially the non-specific environmental effects, have still not been elucidated. Here, we use coarse-grain molecular dynamics simulations to study the association of ErbB2 transmembrane helices and three {\textquoteleft}{\textquoteleft}oncogenic mutants.{\textquoteright}{\textquoteright} Self-assembly simulations and the dimerization free-energy profiles confirm an energetically-favorable dimerized state for both the wildtype and the mutants. The dissociation free energy of all three mutants is calculated to be larger than the wildtype peptide. Along with favourable protein-protein interactions, non-specific environmental effects are observed to contribute to the association. In particular, local bilayer thinning along with membrane perturbations are seen around the mutants. The membrane perturbations are reduced upon helix association, suggesting that lipid chain packing is an important driving force for helix dimerization. Our results highlight the importance of both specific as well as non-specific driving forces in the association of transmembrane helices.

}, issn = {1463-9076}, doi = {10.1039/c3cp52447g}, author = {Prasanna, Xavier and Praveen, P. J. and Sengupta, Durba} } @article { ISI:000317956600008, title = {Silicon-induced general, mild, and efficient one-pot, three-component synthesis of amidoalkyl naphthol libraries}, journal = {Synlett}, volume = {24}, number = {6}, year = {2013}, month = {APR}, pages = {713-718}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A general mild and efficient protocol for the synthesis of amidoalkyl naphthol libraries was achieved utilizing tetrachlorosilane and zinc chloride in dichloromethane at ambient temperature via a one-pot, three-component condensation of various aldehydes, nitriles (amides), and beta-naphthol.

}, keywords = {amidoalkyl naphthols, combinatorial synthesis, multicomponent reactions, Ritter reaction, tetrachlorosilane}, issn = {0936-5214}, doi = {10.1055/s-0032-1318392}, author = {Salama, Tarek A.} } @article { ISI:000314743000016, title = {Solvent-free, highly efficient one-pot multi-component synthesis of 1-amido- and 1-carbamato-alkyl naphthols/phenols catalyzed by ethylammonium nitrate as reusable ionic liquid under neat reaction condition at ambient temperature}, journal = {Tetrahedron Letters}, volume = {54}, number = {7}, year = {2013}, month = {FEB}, pages = {672-675}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A solvent-free, environmentally clean, mild, and simple one-pot multi-component protocol has been developed for the efficient synthesis of 1-amido- and 1-carbamato-alkyl naphthols/phenols in excellent yields via one-pot three-component condensation of various aldehydes, amides/carbamates/urea, and naphthols/phenols using ethylammonium nitrate (EAN) as a reusable ionic liquid catalyst under neat reaction condition at ambient temperature. (c) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Aldehyde, amide, Carbamate Phenol, Ethylammonium nitrate (EAN), Urea}, issn = {0040-4039}, doi = {10.1016/j.tetlet2012.12.004}, author = {Mulla, Shafeek Abdul Rashid and Salama, Tarek A. and Pathan, Mohsinkhan Y. and Inamdar, Suleman M. and Chavan, Santosh S.} } @article { ISI:000325762000061, title = {Stabilization of graphene quantum dots (GQDs) by encapsulation inside zeolitic imidazolate framework nanocrystals for photoluminescence tuning}, journal = {Nanoscale}, volume = {5}, number = {21}, year = {2013}, month = {SEP}, pages = {10556-10561}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Luminescent graphene quantum dots (GQDs) are encapsulated and stabilized in Zeolitic Imidazolate Framework (ZIF-8) nanocrystals. The GQDs are well confined due to the adsorption on the growing face of the ZIF-8 nanocrystals and have a profound effect on the shape of the nanocrystals from rhombic dodecahedron to spherical. Stabilizing GQDs inside the ZIF-8 nanocrystals results in tailoring of the photoluminescence emission (ca. 32 nm, bathochromic shift) of the GQD@ZIF-8 nanocrystal composite even after 3 months of aging under normal laboratory conditions. Also the water adsorption (at STP) capacity increased for the GQD@ ZIF-8 composite as compared to the pristine ZIF-8.

}, issn = {2040-3364}, doi = {10.1039/c3nr03511e}, author = {Biswal, Bishnu P. and Shinde, Dhanraj B. and Pillai, Vijayamohanan K. and Banerjee, Rahul} } @article {42703, title = {Stepwise metal-ligand cooperation via a reversible aromatization-deconjugation-sequence in ruthenium complexes with a tetradentate phenanthroline-based ligand}, journal = {Chemistry - A European Journal}, volume = {19}, year = {2013}, month = {MAR}, pages = {3407{\textendash}3414}, abstract = {

The synthesis and reactivity of ruthenium complexes containing the tetradentate phenanthroline-based phosphine ligand 2,9-bis((di-tert-butylphosphino)methyl)-1,10-phenanthroline (PPhenP) is described. The hydrido chloro complex [RuHCl(PPhenP)] (2) undergoes facile dearomatization upon deprotonation of the benzylic position, to give [RuH(PPhenP-H)] (4). Addition of dihydrogen to 4 causes rearomatization of the phenanthroline moiety to trans-[Ru(H)2(PPhenP)] (5), followed by hydrogenation of an aromatic heterocycle in the ligand backbone, to give a new dearomatized and deconjugated complex [RuH(PPhenP*-H)] (6). These aromatization/deconjugation steps of the coordinated ligand were demonstrated to be reversible and operative in the dehydrogenation of primary alcohols without the need for a hydrogen acceptor. This aromatization/deconjugation sequence constitutes an unprecedented mode of a stepwise cooperation between the metal center and the coordinated ligand.

}, doi = {10.1002/chem.201204003}, author = {Langer, Robert and Fuchs, Ido and Vogt, Matthias and Balaraman, Ekambaram and Diskin-Posner, Yael and Shimon, Linda J. W. and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000325211000079, title = {Structural and logical analysis of a comprehensive hedgehog signaling pathway to identify alternative drug targets for glioma, colon and pancreatic cancer}, journal = {Plos One}, volume = {8}, number = {7}, year = {2013}, month = {JUL}, pages = {e69132}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Hedgehog is an evolutionarily conserved developmental pathway, widely implicated in controlling various cellular responses such as cellular proliferation and stem cell renewal in human and other organisms, through external stimuli. Aberrant activation of this pathway in human adult stem cell line may cause different types of cancers. Hence, targeting this pathway in cancer therapy has become indispensable, but the non availability of detailed molecular interactions, complex regulations by extra- and intra-cellular proteins and cross talks with other pathways pose a serious challenge to get a coherent understanding of this signaling pathway for making therapeutic strategy. This motivated us to perform a computational study of the pathway and to identify probable drug targets. In this work, from available databases and literature, we reconstructed a complete hedgehog pathway which reports the largest number of molecules and interactions to date. Using recently developed computational techniques, we further performed structural and logical analysis of this pathway. In structural analysis, the connectivity and centrality parameters were calculated to identify the important proteins from the network. To capture the regulations of the molecules, we developed a master Boolean model of all the interactions between the proteins and created different cancer scenarios, such as Glioma, Colon and Pancreatic. We performed perturbation analysis on these cancer conditions to identify the important and minimal combinations of proteins that can be used as drug targets. From our study we observed the under expressions of various oncoproteins in Hedgehog pathway while perturbing at a time the combinations of the proteins GLI1, GLI2 and SMO in Glioma; SMO, HFU, ULK3 and RAS in Colon cancer; SMO, HFU, ULK3, RAS and ERK12 in Pancreatic cancer. This reconstructed Hedgehog signaling pathway and the computational analysis for identifying new combinatory drug targets will be useful for future in-vitro and in-vivo analysis to control different cancers.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0069132}, author = {Chowdhury, Saikat and Pradhan, Rachana N. and Sarkar, Ram Rup} } @article { ISI:000326495000001, title = {Structural design of coordination polymers}, journal = {Crystengcomm}, volume = {15}, number = {45}, year = {2013}, month = {OCT}, pages = {9237-9238}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {1466-8033}, doi = {10.1039/c3ce90156d}, author = {Du, Miao and Banerjee, Rahul and Shimizu, George K. H.} } @article { ISI:000323584400008, title = {Structural modelling of substrate binding and inhibition in penicillin V acylase from pectobacterium atrosepticum}, journal = {Biochemical and Biophysical Research Communications}, volume = {437}, number = {4}, year = {2013}, month = {AUG}, pages = {538-543}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Penicillin V acylases (PVAs) and bile salt hydrolases (BSHs) have considerable sequence and structural similarity; however, they vary significantly in their substrate specificity. We have identified a PVA from a Gram-negative organism, Pectobacterium atrosepticum (PaPVA) that turned out to be a remote homolog of the PVAs and BSHs reported earlier. Even though the active site residues were conserved in PaPVA it showed high specificity towards penV and interestingly the penV acylase activity was inhibited by bile salts. Comparative modelling and docking studies were carried out to understand the structural differences of the binding site that confer this characteristic property. We show that PaPVA exhibits significant differences in structure, which are in contrast to those of known PVAs and such enzymes from Gram-negative bacteria require further investigation. (C) 2013 Elsevier Inc. All rights reserved.

}, keywords = {Bile salt hydrolase, docking, Homology modelling, Inhibition, Pectobacterium, Penicillin acylase}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2013.06.109}, author = {Avinash, Vellore Sunder and Panigrahi, Priyabrata and Suresh, C. G. and Pundle, Archana V. and Ramasamy, Sureshkumar} } @article { ISI:000312452700005, title = {Structure-property relationship of different types of polyester industrial yarns}, journal = {Journal of the Textile Institute}, volume = {104}, number = {1}, year = {2013}, month = {JAN}, pages = {35-45}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Four major types of polyester industrial yarns (1000 Denier) which are used commercially were studied for their key structural parameters. An attempt has been made to establish a relationship between morphology and properties of these yarns. High tenacity (HT) polyester yarn has the highest birefringence, amorphous orientation, and long period but is relatively less crystalline. High shrinkage characteristic of HT polyester yarn can be accounted for its higher amorphous orientation. High modulus low shrinkage (HMLS) polyester yarn has higher crystallinity and crystal size compared to HT yarn. Fraction of tie molecules of these yarns has been calculated and found that low shrinkage (LS) and super low shrinkage (SLS) yarns have lesser tie molecules. These LS and SLS yarns are tailor-made to achieve lower shrinkage and at the same time maintaining a good level of tenacity. This is achieved with lower amorphous orientation in the final drawn yarn structure. Amorphous orientation was found to have stronger influence than any other structural parameter on the key yarn properties like modulus, tenacity, elongation, and shrinkage.

}, keywords = {modulus, orientation, polyester, shrinkage, structure}, issn = {0040-5000}, doi = {10.1080/00405000.2012.693277}, author = {Samui, Barun Kumar and Prakasan, Manikanda Priya and Ramesh, C. and Chakrabarty, Debabrata and Mukhopadhyay, R.} } @article { ISI:000326207900011, title = {Study of hydration of sarcosine, formation of its zwitterion and their different oligomers in aqueous media: a Raman spectroscopic and theoretical study}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {116}, year = {2013}, month = {DEC}, pages = {74-83}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

{Raman spectra of the biologically important molecule sarcosine (SAR) (C3H7NO2) were studied experimentally in aqueous solution at different concentrations. These spectra were also calculated theoretically using density functional theory (DFT) at the B3LYP/6-31 1++G(d,p) level. Further, all the observed normal modes were assigned through potential energy distribution (PED). Geometry optimization of SAR produced its three conformers with slightly different energies. The lowest energy conformer of SAR was selected for a systematic solvation study wherein different numbers of water molecules (nW

}, keywords = {DFT calculations, Hydration, Oligomer, Raman spectra, Sarcosine, Zwitterion}, issn = {1386-1425}, doi = {10.1016/j.saa.2013.06.041}, author = {Sharma, Poornima and Singh, Dheeraj K. and Gupta, Vineet and Asthana, B. P. and Mishra, P. C. and Singh, Ranjan K.} } @article { ISI:000327521300003, title = {Superior field emission properties of layered WS2-RGO nanocomposites}, journal = {Scientific Reports}, volume = {3}, year = {2013}, month = {NOV}, pages = {3282}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

We report here the field emission studies of a layered WS2-RGO composite at the base pressure of similar to 1 x 10(-8) mbar. The turn on field required to draw a field emission current density of 1 mu A/cm(2) is found to be 3.5, 2.3 and 2 V/mu m for WS2, RGO and the WS2-RGO composite respectively. The enhanced field emission behavior observed for the WS2-RGO nanocomposite is attributed to a high field enhancement factor of 2978, which is associated with the surface protrusions of the single-to-few layer thick sheets of the nanocomposite. The highest current density of similar to 800 mu A/cm(2) is drawn at an applied field of 4.1 V/mu m from a few layers of the WS2-RGO nanocomposite. Furthermore, first-principles density functional calculations suggest that the enhanced field emission may also be due to an overalp of the electronic structures of WS2 and RGO, where graphene-like states are dumped in the region of the WS2 fundamental gap.

}, issn = {2045-2322}, doi = {10.1038/srep03282}, author = {Rout, Chandra Sekhar and Joshi, Padmashree D. and Kashid, Ranjit V. and Joag, Dilip S. and More, Mahendra A. and Simbeck, Adam J. and Washington, Morris and Nayak, Saroj K. and Late, Dattatray J.} } @article { ISI:000325442600098, title = {Supplementation of medium with diammonium hydrogen phosphate enhanced the D-lactate dehydrogenase levels leading to increased D-lactic acid productivity}, journal = {Bioresource Technology}, volume = {146}, year = {2013}, month = {OCT}, pages = {736-739}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

The production of D-lactic acid by Lactobacillus lactis RM2-24 was investigated using modified media to increase the efficiency of the fermentation process. The results indicated that the addition of 5 g/l peptone and 1 g/l (NH4)(2)HPO4 enhanced D-lactic acid production by 32\%, as compared to that obtained from non supplemented media, with a productivity of 3.0 g/l/h. Lactate dehydrogenase (LDH) expression profile in these different media was studied which resulted in appearance of additional LDH isoform produced by cells when they were grown in HSYE supplemented with (NH4)(2)HPO4. The additional LDH appears to be L-LDH contributing to production of L-lactic acid in the fermented broth. This is totally new information in the lactic acid fermentation and could be very useful to industries engaged in D-lactic acid production. (c) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {D(-) lactic acid production, Lactate dehydrogenase, Lactobacillus delbrueckii Uc-3, Lactobacillus lactis RM2-24}, issn = {0960-8524}, doi = {10.1016/j.biortech.2013.07.057}, author = {Singhvi, Mamata and Jadhav, Akanksha and Gokhale, Digambar V.} } @article { ISI:000328941200014, title = {Supramolecular nanoparticles that target phosphoinositide-3-kinase overcome insulin resistance and exert pronounced antitumor efficacy}, journal = {Cancer Research}, volume = {73}, number = {23}, year = {2013}, month = {DEC}, pages = {6987-6997}, publisher = {AMER ASSOC CANCER RESEARCH}, address = {615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA}, abstract = {

The centrality of phosphoinositide-3-kinase (PI3K) in cancer etiology is well established, but clinical translation of PI3K inhibitors has been limited by feedback signaling, suboptimal intratumoral concentration, and an insulin resistance {\textquoteleft}{\textquoteleft}class effect.{\textquoteright}{\textquoteright} This study was designed to explore the use of supramolecular nanochemistry for targeting PI3K to enhance antitumor efficacy and potentially overcome these limitations. PI3K inhibitor structures were rationally modified using a cholesterol-based derivative, facilitating supramolecular nanoassembly with L-alpha-phosphatidylcholine and DSPE-PEG [1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-[amino(polythylen e glycol)]. The supramolecular nanoparticles (SNP) that were assembled were physicochemically characterized and functionally evaluated in vitro. Antitumor efficacy was quantified in vivo using 4T1 breast cancer and K-Ras(LSL/+)/Pten(fl/fl) ovarian cancer models, with effects on glucose homeostasis evaluated using an insulin sensitivity test. The use of PI103 and PI828 as surrogate molecules to engineer the SNPs highlighted the need to keep design principles in perspective; specifically, potency of the active molecule and the linker chemistry were critical principles for efficacy, similar to antibody-drug conjugates. We found that the SNPs exerted a temporally sustained inhibition of phosphorylation of Akt, mTOR, S6K, and 4EBP in vivo. These effects were associated with increased antitumor efficacy and survival as compared with PI103 and PI828. Efficacy was further increased by decorating the nanoparticle surface with tumor-homing peptides. Notably, the use of SNPs abrogated the insulin resistance that has been associated widely with other PI3K inhibitors. This study provides a preclinical foundation for the use of supramolecular nanochemistry to overcome current challenges associated with PI3K inhibitors, offering a paradigm for extension to other molecularly targeted therapeutics being explored for cancer treatment. (C)2013 AACR.

}, issn = {0008-5472}, doi = {10.1158/0008-5472.CAN-12-4477}, author = {Kulkarni, Ashish A. and Roy, Bhaskar and Rao, Poornima S. and Wyant, Gregory A. and Mahmoud, Ayaat and Ramachandran, Madhumitha and Sengupta, Poulomi and Goldman, Aaron and Kotamraju, Venkata Ramana and Basu, Sudipta and Mashelkar, Raghunath Anant and Ruoslahti, Erkki and Dinulescu, Daniela M. and Sengupta, Shiladitya} } @article { ISI:000313513400048, title = {Surface chemistry and growth mechanism of highly oriented, single crystalline TiO2 nanorods on transparent conducting oxide coated glass substrates}, journal = {RSC Advances}, volume = {3}, number = {6}, year = {2013}, month = {NOV}, pages = {1933-1940}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The fabrication of one-dimensional (1D) rods or wires of titania in desired crystalline facets is quite exciting due to unique optoelectronic properties. The single crystalline, oriented nanorods directly grown on transparent conducting oxide (TCO) substrates are finding a lot of interest in solar photovoltaics and several other optoelectronic devices due to enhanced electron transport and lower exciton recombination rates. However, the growth of desired crystalline facets of highly oriented, single crystalline nanorods on different substrates and understanding the interplay between the surface chemistry and growth mechanism still remain a non-trivial and challenging task. Here, for the first time, the kinetically controlled growth of the (310) facet of TiO2 nanorods on fluorine-doped tin oxide (FTO) coated glass substrate has been reported which is in contrast to the previously reported (002) faceted TiO2 nanorods. In addition to this, the growth of (110) facet TiO2 nanorods using amorphous fluorine doped silicon oxide (FSO) as a substrate is also demonstrated. In this paper, it is shown that two different faceted TiO2 nanorods can be synthesized following same synthetic condition by varying only the material properties of the substrate. To investigate the role of substrate chemistry on the morphology and single crystallinity of TiO2 nanorods, electron microscopy, XPS and contact angle measurements have been done. The results clearly indicate an important link between the surface chemistry and morphology of TiO2 nanorods. It can be assumed that there is a role of OH- and water groups which are responsible for the growth of plane (110) which has less surface energy. The observation of (310) facet is quite surprising and can be explained based on FTO crystallinity. It is possible to tune the diameter of the titania nanorods by further coating the FTO substrate with a thin gold layer due to increase in the hydrophilicity of the substrate. Finally, a light to electricity conversion efficiency of 2.5\% could be achieved by using vertically grown titania nanorods on FTO as the photoanode in a dye sensitized solar cell (DSSC).

}, issn = {2046-2069}, doi = {10.1039/c2ra21516k}, author = {Sadhu, Subha and Jaiswal, Adhish and Adyanthaya, Suguna D. and Poddar, Pankaj} } @article { ISI:000328443300015, title = {Surface induced collapse of A beta(1-42) with the F19A replacement following adsorption on a single walled carbon nanotube}, journal = {Biophysical Chemistry}, volume = {184}, year = {2013}, month = {DEC}, pages = {108-115}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Spontaneous adsorption of the A beta peptide on the surface of a single-walled carbon nanotube, resulting in the prevention of its intrinsic propensity to form collapsed states, could be a plausible means to hinder the peptide{\textquoteright}s initial nucleation and self-assembly. We report here the effects of sharply reducing both aromatic and hydrophobic character within the peptide{\textquoteright}s central hydrophobic core on its free and surface behavior. In such an altered peptide, complete surface adsorption is found to induce, rather than prevent, the adsorbed peptide{\textquoteright}s collapse. The weakened surface interactions of the central hydrophobic core allow its greater translational mobility on the surface, thereby facilitating interactions that lead to compaction. Both the adsorption and the subsequent collapse are accompanied by a loss of surface hydration in the modified peptide. We further find that such a two-step dewetting leads to hydration levels comparable to that obtained after compaction of the free peptide. These insights may be leveraged for designing molecular surfaces for disrupting intrinsic A beta behavior. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Adsorption, Amyloid beta peptide, carbon nanotube, Lateral mobility, molecular dynamics simulation, Surface induced collapse}, issn = {0301-4622}, doi = {10.1016/j.bpc.2013.09.008}, author = {Jana, Asis K. and Sengupta, Neelanjana} } @article { ISI:000326360300001, title = {Sustainable materials based on aliphatic polyesters: teaching old chemistry some new tricks}, journal = {Current Science}, volume = {105}, number = {7}, year = {2013}, month = {OCT}, pages = {879-880}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Sivaram, S.} } @article { ISI:000326010300003, title = {Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids}, journal = {Organic \& Biomolecular Chemistry}, volume = {11}, number = {41}, year = {2013}, month = {NOV}, pages = {7072-7075}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the folding propensity of a hetero-foldamer motif featuring proline (Pro) and anthranilic acid (Ant) residues in a 1:2:1 (alpha: beta: alpha) constitutional ratio. Structural investigations unequivocally suggest that the hydrogen-bonding network of this foldamer motif can be switched between 9-membered and 6-membered by modulating the backbone chirality and constitutional ratio of the amino acid residues.

}, issn = {1477-0520}, doi = {10.1039/c3ob41369a}, author = {Ramesh, Veera V. E. and Vijayadas, Kuruppanthara N. and Dhokale, Snehal A. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000328177300017, title = {Synergetic effect of combination of AOP{\textquoteright}s (hydrodynamic cavitation and H2O2) on the degradation of neonicotinoid class of insecticide}, journal = {Journal of Hazardous Materials}, volume = {261}, year = {2013}, month = {OCT}, pages = {139-147}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In the present work, degradation of imidacloprid (neonicotinoid class of insecticide) in aqueous solution has been systematically investigated using hydrodynamic cavitation and combination of hydrodynamic cavitation (HC) and H2O2. Initially, effect of different operating parameters such as inlet pressure to the cavitating device (5-20 bar) and operating pH (2-7.5) has been investigated. Optimization of process parameters was followed by the study of effect of combination of HC and H2O2 process on the rate of degradation of imidacloprid. Significant enhancement in the rate of degradation of imidacloprid has been observed using HC+H2O2 process which lead to a complete degradation of imidacloprid in 45 min of operation using optimal molar ratio of imidacloprid:H2O2 as 1:40. Substantial synergetic effect has been observed using HC+H2O2 process which confer the synergetic coefficient of 22.79. An attempt has been made to investigate and compare the energy efficiency and extent of mineralization of individual and combined processes applied in the present work. Identification of the byproducts formed during degradation of imidacloprid has also been done using LC-MS analysis. The present work has established a fact that hydrodynamic cavitation in combination with H2O2 can be effectively used for degradation of imidacloprid. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Advanced oxidation processes, Hydrodynamic cavitation, Imidacloprid, Synergetic coefficient, Venturi}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2013.07.012}, author = {Raut-Jadhav, Sunita and Saharan, Virendra Kumar and Pinjari, Dipak and Sonawane, Shirish and Saini, Daulat and Pandit, Aniruddha} } @article { ISI:000320979500046, title = {Syntheses and determination of absolute configurations and biological activities of the enantiomers of the longtailed mealybug pheromone}, journal = {Journal of Organic Chemistry}, volume = {78}, number = {12}, year = {2013}, month = {JUN}, pages = {6281-6284}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Preparation and assignment of absolute configurations to both enantiomers of the sex pheromone of the longtailed mealybug, an irregular monoterpenoid with extraordinary biological activity, has been completed. Comparison of the biological activities of both enantiomers and the racemate in field trials showed that the (S)-(+)-enantiomer was highly attractive to male mealybugs, strongly suggesting that female longtailed mealybugs produce this enantiomer. The (R)-(-)-enantiomer was benign, being neither attractive nor inhibitory.

}, issn = {0022-3263}, doi = {10.1021/jo400491n}, author = {Ramesh, Remya and Swaroop, Pandrangi Siva and Gonnade, Rajesh G. and Thirupath, Choppari and Waterworth, Rebeccah A. and Millar, Jocelyn G. and Reddy, D. Srinivasa} } @article { ISI:000329539200015, title = {Synthesis and antimicrobial activity of novel oxysterols from lanosterol}, journal = {Tetrahedron}, volume = {69}, number = {52}, year = {2013}, month = {DEC}, pages = {11155-11163}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Chemically diverse oxysterols and their synthetic manipulations were carried out from variety of Delta(8(9)_) lanosterol derivatives and evaluated for their in vitro antimicrobial activities. Most of the synthesized oxysterols exhibited significant antifungal activity against the tested strains. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Allylic oxidation, antibacterial activity, Antifungal activity, Dihydroxylation, Oxygenated steroids}, issn = {0040-4020}, doi = {10.1016/j.tet.2013.10.090}, author = {Shingate, Bapurao B. and Hazra, Braja G. and Salunke, Deepak B. and Pore, Vandana S. and Shirazi, Fazal and Deshpande, Mukund V.} } @article { ISI:000314693400052, title = {Synthesis and antitubercular activity of amino alcohol fused spirochromone conjugates}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {23}, number = {5}, year = {2013}, month = {MAR}, pages = {1416-1419}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of 21 new amino alcohol fused spirochromone conjugates have been synthesized, characterized with analytical data and evaluated their antimycobacterial activity against Mycobacterium tuberculosis (virulent strain H37Rv) in vitro. Some of the compounds exerted significant inhibition, in particular, compound 4f found to be the most potent derivative exhibiting MIC = 3.13 mu g/mL. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Amino alcohol, Antitubercular activity, Mycobacterium tuberculosis, Spirochromones}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2012.12.073}, author = {Mujahid, Mohammad and Gonnade, Rajesh G. and Yogeeswari, P. and Sriram, D. and Muthukrishnan, Murugan} } @article { ISI:000317596800004, title = {Synthesis and catalytic activity of monodisperse gold-mesoporous silica core-shell nanocatalysts}, journal = {Catalysis Science \& Technology}, volume = {3}, number = {5}, year = {2013}, month = {FEB}, pages = {1190-1193}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Core-shell nanostructures, where gold nanoparticles of sub 10 nm size are successfully encapsulated inside porous silica spheres, have been prepared. The detailed characterization of the catalyst shows a high surface area and good mesoporosity. The sinter resistance of the catalyst under repeated cycles of the CO oxidation reaction is observed.

}, issn = {2044-4753}, doi = {10.1039/c3cy20772b}, author = {Sekhar, A. C. Sunil and Meera, C. J. and Kottavarithottil Ziyad and Gopinath, Chinnakonda S. and Vinod, C. P.} } @article { ISI:000319610100003, title = {Synthesis and characterization of poly(ether ether ketone)s and poly(ether ether ketone ketone) s containing pendant biphenyl and naphthyl groups}, journal = {High Performance Polymers}, volume = {25}, number = {3}, year = {2013}, month = {MAY}, pages = {260-267}, publisher = {SAGE PUBLICATIONS LTD}, address = {1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND}, abstract = {

New poly(ether ether ketone)s (PEEKs) and poly(ether ether ketone ketone)s (PEEKKs) containing pendant biphenyl and naphthyl groups were synthesized by nucleophilic substitution reaction of each of the four bisphenols viz., 1-(4- biphenylyl)- 1,1- bis(4- hydroxyphenyl) ethane, 1-(4- biphenylyl)- 1,1- bis(3- methyl, 4- hydroxyphenyl) ethane, 4,4{\textquoteright}-[1-(2- naphthalenyl) ethylidene] bis-phenol and 4,4{\textquoteright}-[1-(2- naphthalenyl) ethylidene] bis-3-methylphenol with 4,4{\textquoteright}- difluorobenzophenone and 1,3- bis(4- fluorobenzoyl) benzene in a solvent mixture of N,N-dimethylacetamide and toluene in the presence of anhydrous potassium carbonate. Inherent viscosities and number-average molecular weights of polymers were in the range of 0.42-0.86 dl/g and 2.40-7.55 x 10(4), respectively. PEEKs and PEEKKs were amorphous in nature and were readily soluble in a wide range of organic solvents and could be cast into flexible and tough films from chloroform solution. Glass transition temperature of PEEKs and PEEKKs were in the range of 180 degrees C -200 degrees C. T-10 values of PEEKs and PEEKKs were in the range of 424 degrees C-512 degrees C in nitrogen atmosphere, indicating their good thermal stability.

}, keywords = {biphenyl, bisphenol, naphthyl, poly(ether ether ketone ketone)s, poly(ether ether ketone)s, Polycondensation, Thermal properties}, issn = {0954-0083}, doi = {10.1177/0954008312462731}, author = {Honkhambe, Pandurang N. and Dhamdhere, Neelam A. and Tawade, Bhausaheb V. and Salunkhe, Manikrao M. and Wadgaonkar, Prakash P.} } @article { ISI:000326056600042, title = {Synthesis and electrochemical performance of a single walled carbon nanohorn-Fe3O4 nanocomposite supercapacitor electrode}, journal = {RSC Advances}, volume = {3}, number = {44}, year = {2013}, month = {AUG}, pages = {21390-21393}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new Fe3O4-SWCNH nanocomposite was synthesized as an electrode material for supercapacitors. The nanocomposite exhibited a high specific capacitance of 377 F g(-1) and delivered a stable discharge capacitance at a current density of 1 A g(-1) over 1000 cycles between 0 and 1.2 V.

}, issn = {2046-2069}, doi = {10.1039/c3ra43079k}, author = {Deshmukh, Ashvini B. and Shelke, Manjusha V.} } @article { ISI:000323401200004, title = {Synthesis and fluorescence properties of a full set of extended RNA base analogues}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {52}, number = {8-9, SI}, year = {2013}, month = {AUG}, pages = {1004-1013}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

The synthesis and photophysical characterization of a complete set of fluorescent RNA base analogues derived by conjugating benzofuran moiety at the 5- and 8-positions of pyrimidine and purine bases, respectively, are described. Benzofuran-modified pyrimidine and purine ribonucleoside analogues exhibit Contrasting fluorescence properties. Pyrimidine analogues are moderately emissive with emission maximum in the visible region, and importantly, are highly sensitive to solvent polarity and Viscosity changes. On the other hand, purine analogues are highly emissive and are minimally affected by solvation. and viscosity effects. Thorough photophysical analysis reveals that the pyrimidine and purine ribonucleosides displaying distinct and-probe-like fluorescence properties could be useful in designing nucleic acid based biophysical tools to study nucleic acid structure and function.

}, keywords = {Environment sensitive probes, Fluorescence probes, Fluorescence spectroscopy, Nucleic acids, Ribonucleoside analogues}, issn = {0376-4710}, author = {Sabale, Pramod M. and Nuthanakanti, Ashok and Srivatsan, Seergazhi G.} } @article { ISI:000323468500032, title = {Synthesis and molecular structure of a zinc complex of the vitamin K-3 analogue phthiocol}, journal = {Journal of Molecular Structure}, volume = {1048}, year = {2013}, month = {SEP}, pages = {223-229}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The complex [Zn(phthiocol)(2)(H2O)(2)]; 1, where phthiocol is 2-hydroxy-3-methyl-1,4-naphthoquinone, has been synthesized and characterized by elemental analysis, FT-IR, H-1 NMR, UV-vis spectroscopy, thermogravimetric (TG) analysis, electrochemical and single crystal X-ray diffraction studies. The v(C=O) stretch shifts to lower frequencies upon complexation of phthiocol to Zn2+. H-1 NMR spectra show an upfield shift of the benzenoid ring protons in 1. There is a bathochromic shift of the LMCT band in the UV-vis spectra of 1. Single crystal X-ray structure of 1 show distorted octahedral geometry around Zn2+. Two phthiocol ligands are in plane with the metal, while water molecules are trans to this plane. Coordination of deprotonated phthiocol ligands is {\textquoteleft}trans, trans{\textquoteright} to Zn2+. Intra as well as intermolecular interactions are observed in 1. Molecules of 1 show three dimensional network through C-H center dot center dot center dot O and O-H center dot center dot center dot O interactions. Additional anodic peaks are observed in cyclic voltammogram of phthiocol ligand due to oxidation of reduced species formed during reduction. One-electron reduction of 1 is shown to be reversible and DFT studies define this redox event as ligand-centered. (c) 2013 Elsevier B.V. All rights reserved.

}, keywords = {hydrogen bonding, Naphthoquinone, Phthiocol, Trans coordination, Vitamin K-3, Zinc complex}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2013.05.057}, author = {Kathawate, Laxmi and Sproules, Stephen and Pawar, Omkar and Markad, Ganesh and Haram, Santosh K. and Puranik, Vedavati G. and Salunke-Gawali, Sunita} } @article { ISI:000319185100004, title = {Synthesis and self-assembly of amphiphilic homoglycopolypeptide}, journal = {Langmuir}, volume = {29}, number = {19}, year = {2013}, month = {MAY}, pages = {5659-5667}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The synthesis of the amphiphilic homoglycopolypeptide was carried out by a combination of NCA polymerization and click chemistry to yield a well-defined Polypeptide having an amphiphilic carbohydrate on its side chain. The amphiphilicity of the carbohydrate was achieved by incorporation of an alkyl chain, at the C-6 position of the carbohydrate thus also rendering the homoglycopolypeptide amphiphilic. The homoglycopolypeptide formed multimicellar aggregates in water above a critical concentration of 0.9 mu M due to phase separation. The multimicellar aggregates were characterized by DLS, TEM, and AFM. It is proposed that hydrophobic interactions of the aliphatic chains at the 6-position of the sugar moieties drives the assembly of these rod-like homoglycopolypeptide into large;spherical aggregates. These multimicellar aggregates encapsulate both hydrophilic as well as hydrophobic dye as was confirmed by confocal microscopy. finally, amphiphilic random polypeptides containing 10\% and 20\% alpha-D-mannose in addition to glucose containing a, hydrophobic alkyl chain at its 6 position were synthesized by our methodology, and these polymers Were also found to assemble into spherical nanostructures. The spherical assemblies Of amphiphilic random glycopolypeptides containing 10\% and 20\% mannose were found to be surface bioactive and were found, to interact with the lectin Con-A.

}, issn = {0743-7463}, doi = {10.1021/la400144t}, author = {Dhaware, Vinita and Shaikh, Ashif Y. and Kar, Mrityunjoy and Hotha, Srinivas and Sen Gupta, Sayam} } @article { ISI:000321490900014, title = {Synthesis of a sex pheromone of the longtailed mealybug, pseudococcus longispinus}, journal = {Synthesis-Stuttgart}, volume = {45}, number = {12}, year = {2013}, month = {JUN}, pages = {1689-1692}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

The synthesis of a recently identified and highly active sex pheromone of the longtailed mealybug, Pseudococcus longispinus is reported. A concise synthetic route, use of the under explored Meyer-Schuster rearrangement, Claisen rearrangement, and ring-closing metathesis are the highlights of this work.

}, keywords = {Acylation, Metathesis, pheromones, rearrangement, Total synthesis}, issn = {0039-7881}, doi = {10.1055/s-0033-1338450}, author = {Kurhade, Suresh E. and Siddaiah, V. and Bhuniya, Debnath and Reddy, D. Srinivasa} } @article { ISI:000316693100020, title = {Synthesis of palmyrolide A and its cis-isomer and mechanistic insight into trans-cis isomerisation of the enamide macrocycle}, journal = {Chemical Communications}, volume = {49}, number = {32}, year = {2013}, month = {MAR}, pages = {3342-3344}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Concise and protecting-group free synthesis of ent-palmyrolide A and (-)-cis-palmyrolide A were achieved starting from commercially available (S)-citronellal. The key fragment of palmyrolide A, {\textquoteleft}{\textquoteleft}(5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide{\textquoteright}{\textquoteright}, which makes up the most challenging part of the target molecule, was prepared in just three steps. A plausible mechanism for the trans-cis isomerization of the double bond in the macrocycle has been investigated.

}, issn = {1359-7345}, doi = {10.1039/c3cc40541a}, author = {Philkhana, Satish Chandra and Seetharamsingh, B. and Dangat, Yuvraj B. and Vanka, Kumar and Reddy, D. Srinivasa} } @article {42704, title = {Synthesis, structures, and dearomatization by deprotonation of iron complexes featuring bipyridine-based PNN pincer ligands}, journal = {Inorganic Chemistry}, volume = {52}, year = {2013}, month = {JUL}, pages = {9636{\textendash}9649}, abstract = {

The synthesis and characterization of new iron pincer complexes bearing bipyridine-based PNN ligands is reported. Three phosphine-substituted pincer ligands, namely, the known tBu-PNN (6-((di-tert-butylphosphino)methyl)-2,2'-bipyridine) and the two new iPr-PNN (6-((di-iso-propylphosphino)methyl)-2,2'-bipyridine) and Ph-PNN (6-((diphenylphosphino)methyl)-2,2'-bipyridine) ligands were synthesized and studied in ligation reactions with iron(II) chloride and bromide. These reactions lead to the formation of two types of complexes: mono-chelated neutral complexes of the type [(R-PNN)Fe(X)2] and bis-chelated dicationic complexes of the type [(R-PNN)2Fe]2+. The complexes [(R-PNN)Fe(X)2] (1: R = tBu, X = Cl, 2: R = tBu, X = Br, 3: R = iPr, X = Cl, and 4: R = iPr, X = Br) are readily prepared from reactions of FeX2 with the free R-PNN ligand in a 1:1 ratio. Magnetic susceptibility measurements show that these complexes have a high-spin ground state (S = 2) at room temperature. Employing a 2-fold or higher excess of iPr-PNN, diamagnetic hexacoordinated dicationic complexes of the type [(iPr-PNN)2Fe](X)2 (5: X = Cl, and 6: X = Br) are formed. The reactions of Ph-PNN with FeX2 in a 1:1 ratio lead to similar complexes of the type [(Ph-PNN)2Fe](FeX4) (7: X = Cl, and 8: X = Br). Single crystal X-ray studies of 1, 2, 4, 6, and 8 do not indicate electron transfer from the FeII centers to the neutral bipyridine unit based on the determined bond lengths. Density functional theory (DFT) calculations were performed to compare the relative energies of the mono- and bis-chelated complexes. The doubly deprotonated complexes [(R-PNN*)2Fe] (9: R = iPr, and 10: R = Ph) were synthesized by reactions of the dicationic complexes 6 and 8 with KOtBu. The dearomatized nature of the central pyridine of the pincer ligand was established by X-ray diffraction analysis of single crystals of 10. Reactivity studies show that 9 and 10 have a slightly different behavior in protonation reactions.

}, doi = {10.1021/ic401432m}, author = {Zell, Thomas and Langer, Robert and Iron, Mark A. and Konstantinovski, Leonid and Shimon, Linda J. W. and Diskin-Posner, Yael and Leitus, Gregory and Balaraman, Ekambaram and Ben-David, Yehoshoa and Milstein, David} } @article { ISI:000323019400017, title = {Synthetic zipper peptide motif orchestrated via co-operative interplay of hydrogen bonding, aromatic stacking, and backbone chirality}, journal = {Journal of the American Chemical Society}, volume = {135}, number = {31}, year = {2013}, month = {AUG}, pages = {11477-11480}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here, we report on a new class of synthetic zipper peptide which assumes its three-dimensional zipper-like structure via a co-operative interplay of hydrogen bonding, aromatic stacking, and backbone chirality. Structural studies carried out in both solid- and solution-state confirmed the zipper-like structural architecture assumed by the synthetic peptide which makes use of unusually remote inter-residual hydrogen-bonding and aromatic stacking interactions to attain its shape. The effect of chirality modulation and the extent of noncovalent forces in the structure stabilization have also been comprehensively explored via single-crystal X-ray diffraction and solution-state NMR studies. The results highlight the utility of noncovalent forces in engineering complex synthetic molecules with intriguing structural architectures.

}, issn = {0002-7863}, doi = {10.1021/ja405455g}, author = {Nair, Roshna V. and Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Jagadeesh, Bharatam and Gonnade, Rajesh G. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000314488700006, title = {Systematic evaluation of a few proline derivatives as catalysts for a direct aldol reaction}, journal = {Tetrahedron-Asymmetry}, volume = {24}, number = {1}, year = {2013}, month = {JAN}, pages = {43-49}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of pyrrolidine derivatives were prepared and examined as catalysts for an aldol reaction. Structural variations in these molecules involved altering the sterics at the alpha-position, the position of the carbonyl group, and the acidities of the hydrogen bonding sites. The effect of these factors on catalytic activity and enantioselectivity was studied. The experimental results revealed that additional sterics at the alpha-position were detrimental. However, no correlation was found between the catalytic activity and N-H acidity. (C) 2012 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2012.11.018}, author = {Sutar, Revannath L. and Joshi, Navalkishore N.} } @article { ISI:000316095000011, title = {Target cum flexibility: simple access to benzofuran conjugated sugar and nucleoside derivatives}, journal = {Tetrahedron Letters}, volume = {54}, number = {14}, year = {2013}, month = {APR}, pages = {1824-1827}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The [Pd]-catalyzed domino process comprising of the coupling of alkynes and o-iodophenol and the subsequent cyclization leading to benzofurans has been successfully applied on the sugar and nucleoside derived alkynes. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Benzofuran, carbohydrates, cyclization, Nucleoside, Palladium}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2013.01.089}, author = {Kommagalla, Yadagiri and Srinivas, Kolluru and Ramana, C. V.} } @article { ISI:000335434600004, title = {Thermoresponsive and biodegradable dextran based microgels: synthesis and structural investigation}, journal = {Macromolecular Symposia}, volume = {329}, number = {1}, year = {2013}, note = {Polymer Networks Conference (PNG), WY, AUG 12-16, 2012}, month = {JUL}, pages = {27-34}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Nanostructured objects, often ranging from hundreds of nanometers to few microns, support a number of functions directly linked to their structural features. They are, or they will be, protagonists in biomedical applications where miniaturized activities are required. These include the interface with living systems as tissues and cells, where targeted release of drug molecules occurs, or molecular imaging methods monitoring the drug trafficking in specific cell districts. The potentials of such devices, far to be fully understood, will be assessed only when a close correlation of their functions with their structure will be established. In this contribution we present a dextran based microdevice responsive to temperature and biodegradable. Both thermoresponsivity and biodegradability are of relevance for the potential use as drug carrier and controlled release device. The temperature behaviour, overall structure and internal architectures have been addressed with different methods.

}, keywords = {Biomaterials, colloids, dynamic light scattering, hydrogels, p(NiPAAm)}, issn = {1022-1360}, doi = {10.1002/masy.201300009}, author = {Ghugare, Shivkumar V. and Chiessi, Ester and Sakai, Victoria Garcia and Telling, Mark T. F. and Wadgaonkar, Prakash P. and Paradossi, Gaio} } @article { ISI:000330613400003, title = {Two-phase flow boiling in small channels: a brief review}, journal = {Sadhana-Academy Proceedings in Engineering Sciences}, volume = {38}, number = {6}, year = {2013}, month = {DEC}, pages = {1083-1126}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Boiling flows are encountered in a wide range of industrial applications such as boilers, core and steam generators in nuclear reactors, petroleum transportation, electronic cooling and various types of chemical reactors. Many of these applications involve boiling flows in conventional channels (channel size \>= 3 mm). The key design issues in two phase flow boiling are variation in flow regimes, occurrence of dry out condition, flow instabilities, and understanding of heat transfer coefficient and vapor quality. This paper briefly reviews published experimental and modeling work in these areas. An attempt is made to provide a perspective and to present available information on boiling in small channels in terms of channel size, flow regimes, heat transfer correlations, pressure drop, critical heat flux and film thickness. An attempt is also made to identify strengths and weaknesses of published approaches and computational models of boiling in small channels. The presented discussion and results will provide an update on the state-of-the-art and will be useful to identify and plan further research in this important area.

}, keywords = {Boiling, dry-out, heat transfer, instabilities, small channel, two-phase flow}, issn = {0256-2499}, author = {Sardeshpande, Madhavi V. and Ranade, Vivek V.} } @article {PACHFULE, title = {Two-stage fermentation process for enhanced mannitol production using Candida magnoliae mutant R9}, journal = {Bioprocess and Biosystems Engineering}, volume = {36}, number = {2}, year = {2013}, month = {FEB}, pages = {193-203}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Mutants of Candida magnoliae NCIM 3470 were generated by treatment of ultra-violet radiations, ethyl methyl sulphonate and N-methyl-N{\textquoteright}-nitro-N-nitrosoguanidine. Mutants with higher reductase activity were screened by means of 2,3,5-triphenyl tetrazolium chloride agar plate assay. Among the screened mutants, the mutant R9 produced maximum mannitol (i.e. 46 g l(-1)) in liquid fermentation medium containing 250 g l(-1) glucose and hence was selected for further experiments. Preliminary optimization studies were carried out on shake-flask level which increased the mannitol production to 60 g l(-1) in liquid fermentation medium containing 300 g l(-1) glucose. A two-stage fermentation process comprising of growth phase and production phase was employed. During the growth phase, glucose was supplemented and aerobic conditions were maintained. Thereafter, the production phase was initiated by supplementing fructose and switching to anaerobic conditions by discontinuing aeration and decreasing the speed of agitation. The strategy of two-stage fermentation significantly enhanced the production of mannitol up to 240 g l(-1), which is the highest among all fermentative production processes and corresponds to 81 \% yield and 4 g l(-1) h(-1) productivity without formation of any by-product.

}, keywords = {Candida magnoliae, D-Mannitol, Mutagenesis, Strain improvement, Two-stage fermentation}, issn = {1615-7591}, doi = {10.1007/s00449-012-0775-4}, author = {Savergave, Laxman S. and Gadre, Ramchandra V. and Vaidya, Bhalchandra K. and Jogdand, Vitthal V.} } @article { ISI:000325039100047, title = {Ultrasound promoted efficient and green protocol for the expeditious synthesis of 1, 4 disubstituted 1, 2, 3-triazoles using Cu(II) doped clay as catalyst}, journal = {Applied Clay Science}, volume = {80-81}, year = {2013}, month = {AUG}, pages = {351-357}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Cu(II) doped clay catalyst has been prepared by an easy technique from inexpensive starting materials and investigated for the one pot synthesis of 1, 4-disubstituted 1, 2, 3-triazoles via Huisgen [3 + 2] cycloaddition under ultrasonic irradiation at room temperature. The catalyst is highly active, selective, and stable and can be reused several times. The prepared catalyst has been characterized by XRD, BET-SA, H-2-TPR, SEM and XPS techniques. This transformation is fast, efficient and does not require nitrogen atmosphere or anoxic conditions and additive. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Catalyst support, Copper catalyst, Crystallization, selectivity, Sustainability}, issn = {0169-1317}, doi = {10.1016/j.clay.2013.06.030}, author = {Dar, Bashir Ahmad and Bhowmik, Amrita and Sharma, Amit and Sharma, Parduman R. and Lazar, Anish and Singh, A. P. and Sharma, Meena and Singh, Baldev} } @article { ISI:000314651800003, title = {Weak becomes strong: remarkable strength of C-H center dot center dot center dot pi hydrogen bond in the presence of O-H center dot center dot center dot O hydrogen bonds in the crystal stabilization}, journal = {CrystEngComm}, volume = {15}, number = {9}, year = {2013}, month = {JAN}, pages = {1676-1679}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report crystallographic evidence for the significance of C-H center dot center dot center dot pi hydrogen bonds in the crystal stabilization of 1,4-di-O-benzoyl-myo-inositol. The strength of this otherwise weak hydrogen bond matches with the strength of O-H center dot center dot center dot O hydrogen bonds.

}, issn = {1466-8033}, doi = {10.1039/c3ce26894b}, author = {Sureshan, Kana M. and Gonnade, Rajesh G.} } @article { ISI:000323018700017, title = {Zirconium phenyl phosphonate phosphite as a highly active, reusable, solid acid catalyst for producing fatty acid polyol esters}, journal = {Applied Catalysis A-General}, volume = {462}, year = {2013}, month = {JUL}, pages = {129-136}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The application of zirconium phenyl phosphonate phosphite (ZrPP) as a solid acid catalyst for producing polyol esters by esterification of glycerol or trimethylolpropane with a fatty acid (C-8-C-18.1) is reported for the first time. ZrPP exhibits high catalytic activity and in particular, (di + tri) esters selectivity (92.3 mol\%). These esters of polyols are known for their application as biolubricants. The catalyst prepared using phosphorous acid to phenyl phosphonic acid molar ratio of 3:1 was found superior. The influence of process parameters on activity and selectivity of the catalyst was investigated. ZrPP was reusable in at least three recycling experiments. Hydrophobicity due to exposed phenyl groups on the surface is the possible cause for superior esterification activity of this novel, solid catalyst. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Biolubricants, Esterification of fatty acid, Fatty acid glycerides, Hydrophobic solid acid catalyst, Polyol esters, Zirconium phenyl phosphonate phosphite}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.04.043}, author = {Varhadi, Poonam and Kotwal, Mehejabeen and Srinivas, D.} } @article { ISI:000331014900022, title = {3D flow reactors: flow, hydrodynamics, and performance}, journal = {Industrial \& Engineering Chemistry Research}, volume = {53}, number = {5}, year = {2014}, month = {FEB}, pages = {1916-1923}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A device comprised of a sequence of converging or diverging units aligned either in an axisymmetric or nonaxisymmetric manner can be used as a continuous flow reactor. Here we report the analysis of flow and hydrodynamics (pressure drop, residence time distribution, and mass transfer) for an axisymmetric geometry of a 3D flow reactor for single phase and two-phase flows. CFD simulations of the single phase flow have been used for identification of the precise geometrical configuration. The sequence of converging units as a flow reactor has been found to always be better than the sequence of diverging units. The residence time distribution analysis also favored the choice of converging flow as a better option. The performance of the device was verified by successfully carrying out a highly exothermic two-phase aromatic nitration of benzaldehyde (Delta H-r approximate to -172 kg/mol) with fuming nitric acid.

}, issn = {0888-5885}, doi = {10.1021/ie402311y}, author = {Sharma, Mrityunjay and Reddy, Venkateswara S. and Kulkarni, Amol A.} } @article { ISI:000344330800010, title = {Acid-base cooperative catalysis over mesoporous nitrogen-rich carbon}, journal = {ChemCatChem}, volume = {6}, number = {11}, year = {2014}, month = {NOV}, pages = {3091-3095}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

WOx nanoclusters (2-3 nm) embedded on a mesoporous nitrogen-rich carbon material were synthesized by using novel methodology. This material was very effectively capitalized as a new carbon-based acid-base cooperative catalyst for sequential acetal hydrolysis and Knoevenagel condensation reactions. The protocol was also explored for the nitroaldol condensation reaction.

}, keywords = {cooperative catalysts, Knoevenagel condensation, mesoporous materials, Nanostructures, nitro aldol reaction}, issn = {1867-3880}, doi = {10.1002/cctc.201402537}, author = {Goyal, Reena and Sarkar, Bipul and Lucas, Nishita and Bordoloi, Ankur} } @article {43369, title = {Acidic ionic liquids catalyzed depolymerization of lignin}, number = {PCT/IN2014/000320}, year = {2014}, month = {NOV}, abstract = {The present invention discloses a process for depolymerization of lignin to yield substituted phenolic monomers using Br{\"o}nsted ionic liquid as catalyst under mild reaction conditions to obtain an overall yield of monomers up to 97\%.}, author = {Dhepe, Paresh Laxmikant and Kelkar, Ashutosh Anant and Matsagar, Babasaheb Mansub and Singh, Sandip Kumar} } @article {46384, title = {Acyl-transfer reactions in molecular crystals: reactivity correlation with crystal structure}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {APR}, pages = {C771}, type = {Meeting Abstract}, keywords = {crystal engineering, intermolecular interactions, solid-state reactions}, issn = {2053-2733}, author = {Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article {46399, title = {Additive induced capture of elusive polymorphs of conformationally flexible Sulfonamides/Sulfoesters}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C776}, type = {Meeting Abstract}, keywords = {additive induced polymorphism, intermolecular interactions, phase transition}, issn = {2053-2733}, author = {Shaikh, Samir Rashid and Gawade, Rupesh L. and Chakravarty, Debamitra K. and Puranik, Vedavati G. and Gonnade, Rajesh} } @article { ISI:000350032000042, title = {Advanced cell-based high-throughput screening assays targeting active and latent Mycobacterium tuberculosis}, journal = {Journal of Biotechnology}, volume = {185}, number = {S}, year = {2014}, note = {European Biotechnology Congress, Lecce, ITALY, MAY 15-18, 2014}, month = {SEP}, pages = {S18}, publisher = {ELSEVIER SCIENCE BV}, type = {Meeting Abstract}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2014.07.061}, author = {Shurpali, Ketaki Dilip and Singh, Upasana and Sarkar, Shamim Akhtar Sampa and Mishra, Abhishek and Kulkarni, Roshan and Joshi, Swati P. and Sarkar, Dhiman} } @article { ISI:000341405600003, title = {Ambient oxidation of benzene to phenol by photocatalysis on Au/Ti0.98V0.02O2: role of holes}, journal = {ACS Catalysis}, volume = {4}, number = {9}, year = {2014}, month = {SEP}, pages = {2844-2853}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A potential photocatalyst with 2 atom \% vanadium incorporated into the 1 lattice of disordered mesoporous titania, Ti0.98V0.02O2, (TV2) was synthesized. Au was deposited on TV2 (Au/TV2) through a photodeposition method. Structural, microscopy, and spectroscopy techniques support the incorporation of vanadium into the TiO2 lattice, and Au was deposited on the surfaces of TV2. Photocatalytic oxidation of benzene was conducted at ambient temperature under UV and/or visible light to demonstrate the catalytic activity of the Au/TV2 catalyst. The TV2 lattice exhibits a quantum jump in benzene to phenol oxidation compared to that of TiO2, highlighting the importance of V for oxidation. Introduction of Au onto TV2 further increases the benzene to phenol oxidation and phenol yield by a factor of 2 under UV light compared to those of bare TV2. No significant phenol production was observed in visible light with or without gold, indicating the role of gold is indirect toward charge separation and electron storage. Nano gold clusters on TV2 selectively store photoexcited electrons and in turn maximize holes utilization on TiO2. The high photocatalytic activity of Au/TV2 is mainly attributed to the presence of Schottky junctions, disordered mesoporosity, and short diffusion lengths for charge carriers.

}, keywords = {nano gold, phenol, Photocatalysis, Schottky junction, titania, Vanadium}, issn = {2155-5435}, doi = {10.1021/cs500724z}, author = {Devaraji, Perumal and Sathu, Naveen K. and Gopinath, Chinnakonda S.} } @article { ISI:000332027100007, title = {Amino acid-based multiresponsive low-molecular weight metallohydrogels with load-bearing and rapid self-healing abilities}, journal = {Chemical Communications}, volume = {50}, number = {23}, year = {2014}, month = {FEB}, pages = {3004-3006}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A multiresponsive metallohydrogel based on an amino acid-derived low molecular weight (LMW) ligand and a Zn(II) salt was prepared. This hydrogel showed remarkable shape-persistent, self-standing, load-bearing and self-healing properties, which is uncommon in LMW hydrogels.

}, issn = {1359-7345}, author = {Saha, Subhadeep and Bachl, Jurgen and Kundu, Tanay and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000334599800029, title = {Anti-cancer therapeutic potential of quinazoline based small molecules via global upregulation of miRNAs}, journal = {Chemical Communications}, volume = {50}, number = {35}, year = {2014}, month = {MAR}, pages = {4639-4642}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Three quinazoline based small molecules showed global upregulation of miRNA expression with a selective enrichment of tumor suppressor miRNAs. The target genes of the upregulated miRNAs were predicted to be enriched for apoptotic pathways. Apoptotic induction following treatment with quinazoline compounds was confirmed by in cellulo studies. Thus, these small molecules having the core structural moiety (2,4-diphenyl-quinazoline) can be used as scaffolds to design activators of miRNA expression paving the way for novel anti-cancer drugs.

}, issn = {1359-7345}, doi = {10.1039/c3cc49337g}, author = {Nahar, Smita and Bose, Debojit and Panja, Sumit Kumar and Saha, Satyen and Maiti, Souvik} } @article { ISI:000333939500005, title = {Antifungal dimeric chalcone derivative kamalachalcone E from Mallotus philippinensis}, journal = {Natural Product Research}, volume = {28}, number = {4}, year = {2014}, month = {FEB}, pages = {245-250}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

From the red coloured extract (Kamala) prepared through acetone extraction of the fresh whole uncrushed fruits of Mallotus philippinensis, one new dimeric chalcone (1) along with three known compounds 1-(5,7-dihydroxy-2,2,6-trimethyl-2H-1-benzopyran-8-yl)-3-phenyl-2-propen -1-one (2), rottlerin (3) and 4 {\textquoteleft}-hydroxyrottlerin (4) were isolated. The structure of compound 1 was elucidated by 1D and 2D NMR analyses that included HSQC, HMBC, COSY and ROESY experiments along with the literature comparison. Compounds 1-4 were evaluated for antifungal activity against different human pathogenic yeasts and filamentous fungi. The antiproliferative activity of the compounds was evaluated against Thp-1 cell lines. Compounds 1 and 2 both exhibited IC50 of 8, 4 and 16 mu g/mL against Cryptococcus neoformans PRL518, C. neoformans ATCC32045 and Aspergillus fumigatus, respectively. Compound 4, at 100 mu g/mL, showed 54\% growth inhibition of Thp-1 cell lines.

}, keywords = {4 {\textquoteleft}-hydroxyrottlerin, antifungal, dimeric chalcone, kamalachalcone E, Mallotus philippinensis, rottlerin}, issn = {1478-6419}, doi = {10.1080/14786419.2013.843178}, author = {Kulkarni, Roshan R. and Tupe, Santosh G. and Gample, Suvarna P. and Chandgude, Macchindra G. and Sarkar, Dhiman and Deshpande, Mukund V. and Joshi, Swati P.} } @article { ISI:000344448000015, title = {Anti-fungal potentials of extracellular metabolites of western ghats isolated streptomyces sp NII 1006 against moulds and yeasts}, journal = {Indian Journal of Experimental Biology }, volume = {52}, number = {11}, year = {2014}, month = {NOV}, pages = {1138-1146}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, type = {Article}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

Realization of hazardious effects of chemical fungicides has led to an interest in the usage of biocontrol agents. The present study, therefore, evaluates the biocontrol efficacy of Western Ghats (India) soil bacterial isolates. A potential strain NII 1006 was evaluated for its antagonistic property against a diverse range of moulds and yeasts. The strain was characterized morphologically, biochemically and molecularly, which revealed the isolate belonged to Streptomyces genus. Organic solvent extracts of NII 1006 culture filtrates inhibited the growth of the test pathogens indicating that growth suppression was due to extracellular anti-fungal metabolites present in the culture filtrates. The strain produced extracellular chitinase enzyme in addition to some stable partially purified anti-fungal compounds. Morphological changes such as hyphae degradation into debris and abnormal shapes were observed in test fungi and yeast grown on potato dextrose broth that contained the NII 1006 culture filtrate. The cell free supernatant has a tolerance to wide range of pH, temperature and enzymes such as lipase and protease. The biocontrol potential of NII 1006 strain may be correlated significantly with their ability to produce antibiotics as well as extracellular hydrolytic enzymes particularly chitinolytic enzyme.

}, keywords = {Anti-fungal activity, Biocontrol, Extracellular anti-fungal metabolites, Streptomyces}, issn = {0019-5189}, author = {Jayamurthy, Himani and Sajna, Kuttavan Valappil and Dastager, Syed Gulam and Pandey, Ashok} } @article {43392, title = {Antimicrobial activity of ZnO nanoparticles against pathogenic bacteria and fungi}, journal = {JSM Nanotechnology and Nanomedicine}, volume = {2}, year = {2014}, month = {JAN}, pages = {1-7}, author = {Navale, G. R. and Thripuranthaka, M. and Late, Dattatray J. and Shinde, Sandip S.} } @article {43349, title = {Antimicrobial and dna damaging activity of ochratoxin a extracted from Penicillium species}, journal = {International Journal of Pharma and Bio Sciences}, volume = {5}, year = {2014}, month = {OCT}, pages = {335-341}, abstract = {The present investigation was carried out by ten bacterial species, Bacillus subtilis, Escherishia coli, Enterobacter aerogenes, Klebsiella pneumoniae, Micrococcus luteus, Pseudomonas aeruginosa, Pseudomonas putida, Proteus mirabilis, Proteus vulgaris, Staphylococcus aureus and five fungal species, Aspergillus terreus, Penicillium aurantiogriseum, P.expansum, Paceliomycs varioti, Fusarium graminarium were screened for their sensitivity against ochratoxin A (OTA) produced by Penicillium verrucosum. Proteus mirabilis was highly sensitive followed by E.aureogens, B.subtilis and K. pneumoniae. Rest of the bacteria was intermediate in their sensitivity when compared with the streptomycin as standard. Similarly P.aurantiogriseum and Paeciolomyces varioti were comparatively more sensitive than the other fungi under study. Aspergillus terreus and P.expansum was sensitive to an intermediate extent. Simultaneously the DNA damaging activity of OTA was also evaluated by PRSET-B plasmid DNA treated with H2O2 plus different concentrations of OTA. The highest DNA stand breaks was observed on even at 25μg/ml of OTA and complete degradation of DNA stand breaks was observed on 30μg/ml of OTA.}, author = {Vankudoth, Koteswara Rao and Sivadevuni, Girisham} } @article { ISI:000344866500012, title = {Antiplasmodial activity-aided isolation and identification of quercetin-4 {\textquoteleft}-methyl ether in chromolaena odorata leaf fraction with high activity against chloroquine-resistant plasmodium falciparum}, journal = {Parasitology Research }, volume = {113}, number = {12}, year = {2014}, month = {DEC}, pages = {4415-4422}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The present study was undertaken to evaluate the antiplasmodial activity of Chromolaena odorata leaf extract and gradient fractions through in vivo and in vitro tests, aimed at identifying its antiplasmodial constituents. Sub-fractions obtained from the most active gradient fraction were further tested for cytotoxicity against THP-1 cells, chloroquine-sensitive (HB3) and chloroquine-resistant (FCM29) Plasmodium falciparum. Our results showed the dichloromethane gradient fraction was most effective, significantly (P\<0.05) suppressing infection by 99.46 \% at 100 mg/kg body weight. Amongst its 13 sub-fractions (DF1-DF13), DF11 was highly active, with IC50 of 4.8 and 6.74 mu g/ml against P. falciparum HB3 and FCM29, respectively. Cytotoxicity of DF11 was estimated to be above 50 mu g/ml, and its separation by column chromatography yielded a flavonoid which was characterized as 3, 5, 7, 3{\textquoteright} tetrahydroxy-4{\textquoteright}-methoxyflavone from its spectroscopic data. It significantly suppressed infection (65.43-81.48 \%) in mice at 2.5-5 mg/kg doses and compared favourably with the effects of chloroquine and artemisinin. It may therefore serve as a useful phytochemical and antiplasmodial activity marker of C. odorata leaves, which exhibit potential for development as medicine against malaria.

}, keywords = {malaria, Medicinal plant, Plasmodium falciparum, Toxicity}, issn = {0932-0113}, doi = {10.1007/s00436-014-4119-y}, author = {Ezenyi, I. C. and Salawu, O. A. and Kulkarni, R. and Emeje, Martins} } @article {43379, title = {Aptamer functionalized multifunctional fluorescent nanotheranostic platform for pancreatic cancer}, journal = {Journal of Nanopharm Drug Delivery}, year = {2014}, month = {DEC}, abstract = {This study explores the potential of aptamer functionalized and fluorescent silver nanoparticles (AgNPs) labeled human serum albumin nanoparticles for drug delivery and bioimaging. Nanotechnology is certainly the most promising research arena in recent years and different fields of biotechnology, medicine and agricultural have been deeply benefited by the enormous advantages of nanotechnology. In recent years, synthesis of nanoparticles via eco-friendly methods has attained a lot of interest and silver nanoparticles are synthesized extensively due to their size tunable properties and vast applicability in different areas. In this study we have explored green synthesized fluorescent silver nanoparticles as a novel bioimaging agent for pancreatic cancer. Capsaicin, a plant phytochemical found in red chilli pepper was encapsulated in aptamer MUC-1 coupled albumin nanoparticles and it was observed that the nanoformulation significantly enhanced the bioavailability and sustained release property of the drug to pancreatic cancer cells in-vitro. Meanwhile AgNPs mediated excellent bioimaging has enhanced the efficacy of our system as drug delivery vehicle.}, doi = {10.1166/jnd.2014.1070}, author = {Nigam, Preeti and Waghmode, Shobha A. and Yeware, Amar M. and Nawale, Laxman U. and Dagde, Priyanka and Dudhane, Amol and Sarkar, Dhiman} } @article { ISI:000346322200010, title = {Artificial intelligence-based modeling of high ash coal gasification in a pilot plant scale fluidized bed gasifier}, journal = {Industrial \& Engineering Chemistry Research }, volume = {53}, number = {49}, year = {2014}, month = {DEC}, pages = {18678-18689}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The quality of coalespecially its high ash contentsignificantly affects the performance of coal-based processes. Coal gasification is a cleaner and an efficient alternative to the coal combustion for producing the syngas. The high-ash coals are found in a number of countries, and they form an important source for the gasification. Accordingly, in this study, extensive gasification experiments were conducted in a pilot-plant scale fluidized-bed coal gasifier (FBCG) using high-ash coals from India. Specifically, the effects of eight coal and gasifier process related parameters on the four gasification performance variables, namely CO+H-2 generation rate, syngas production rate, carbon conversion, and heating value of the syngas, were rigorously studied. The data collected from these experiments were used in the FBCG modeling, which was conducted by utilizing two artificial intelligence (AI) strategies namely genetic programming (GP) and artificial neural networks (ANNs). The novelty of the GP formalism is that it searches and optimizes both the form and parameters of an appropriate linear/nonlinear function that best fits the given process data. The original eight-dimensional input space of the FBCG models was reduced to three-dimensional space using the principal component analysis (PCA) and the PCA-transformed three variables were used in the AI-based FBCG modeling. A comparison of the GP and ANN-based models reveals that their output prediction accuracies and the generalization performance vary from good to excellent as indicated by the high training and test set correlation coefficient magnitudes lying between 0.92 and 0.996. This study also presents results of the sensitivity analysis performed to identify those coal and process related parameters, which significantly affect the FBCG process performance.

}, issn = {0888-5885}, doi = {10.1021/ie500593j}, author = {Patil-Shinde, Veena and Kukarni, Tejas and Kulkarni, Rahul and Chavan, Prakash D. and Sharma, Tripurari and Sharma, Bijay Kumar and Tambe, Sanjeey S. and Kulkarni, B. D.} } @article { ISI:000342761600095, title = {Asymmetric transfer hydrogenation of imines in water/methanol co-solvent system and mechanistic investigation by DFT study}, journal = {RSC Advances}, volume = {4}, number = {86}, year = {2014}, month = {SEP}, pages = {46351-46356}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Asymmetric transfer hydrogenation of various cyclic imines proceeded efficiently with water/methanol co-solvent media in 20 min with excellent yields and enantioselectivities by employing Rh-TsDPEN catalyst and sodium formate as a hydrogen donor. The role of the co-solvent in enhanced productivity of the reaction was investigated by DFT. The mechanism for ATH of the imines has been discussed on the basis of the DFT study.

}, issn = {2046-2069}, doi = {10.1039/c4ra07964g}, author = {Shende, Vaishali S. and Shingote, Savita K. and Deshpande, Sudhindra H. and Kuriakose, Nishamol and Vanka, Kumar and Kelkar, Ashutosh A.} } @article { ISI:000331163900002, title = {Asymmetric vinylogous mannich reaction of silyloxy furans with N-tert-butanesulfinyl ketimines}, journal = {Organic Letter}, volume = {16}, number = {3}, year = {2014}, month = {FEB}, pages = {648-651}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A highly regio- and diastereoselective TMSOTf promoted vinylogous Mannich reaction for the synthesis of chiral quaternary 3-aminooxindole butenolides from 2-silyloxy furans and chiral ketimines is described. The method is found to be very efficient and also provides a facile access to sterically challenging 3-aminooxindole butenolides bearing two quaternary centers in continuation. Further, the versatility of the method is demonstrated by the 1,4-addition of nucleophiles on the sterically congested butenolide substructure..

}, issn = {1523-7060}, doi = {10.1021/ol4037117}, author = {Rao, V. U. Bhaskara and Jadhav, Amol P. and Garad, Dnyaneshwar N. and Singh, Ravi P.} } @article { ISI:000337000403805, title = {Atomistic simulations lend mechanistic insights into plausible ways of perturbing the nucleation thermodynamics of the full-length a beta peptide}, journal = {Biophysical Journal}, volume = {106}, number = {2, 1}, year = {2014}, note = {58th Annual Meeting of the Biophysical-Society, San Francisco, CA, FEB 15-19, 2014}, month = {JAN}, pages = {683A}, publisher = {Biophys Soc}, type = {Meeting Abstract}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Jana, Asis K. and Sengupta, Neelanjana} } @article { ISI:000332756200019, title = {Atypical energetic and kinetic course of excited-state intramolecular proton transfer (ESIPT) in room-temperature protic ionic liquids}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {9}, year = {2014}, month = {MAR}, pages = {2487-2498}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The excited-state intramolecular proton-transfer (ESIPT) process in 1,8-dihydroxyanthraquinone (18DHAQ) dye has been investigated in protic ionic liquid (PIL) solvents using photochemical measurements. The results demonstrate noteworthy modulations in both steady-state and time-resolved emission characteristics of excited normal (N*) and tautomeric (T*) forms of the dye. That the emission of T* increases unexpectedly upon increasing solvent viscosity indicates that subsequent to the initial forward ESIPT, there is also a relatively slower back ESIPT process involved for the excited dye. It is inferred that the propensity of this back ESIPT process is determined by the dynamics of the diffusive solvent relaxation, a process that is known to be strongly viscosity-dependent in ionic liquids. Evidence of both forward and back ESIPT for the dye has been obtained from femtosecond fluorescence up-conversion measurements. While an unusually fast forward ESIPT is clearly observed in all of the PILs studied, the uncommon back ESIPT process is distinctly indicated in PIL solvents having lower viscosities, certainly due to reasonably fast diffusive solvent relaxation in these solvents that causes a temporal modulation in the energies of the normal and tautomeric forms within a reasonably short time and thereby brings down the energy of N* compared to that of T*, triggering the back ESIPT process. Observation of solvent-viscosity-dependent back ESIPT is an intriguing finding for the present study as to the best of our knowledge, such a behavior has so far not been reported in the literature for the ESIPT reaction.

}, issn = {1520-6106}, doi = {10.1021/jp500281z}, author = {Manna, Arpan and Sayed, Mhejabeen and Kumar, Anil and Pal, Haridas} } @article { ISI:000329293600019, title = {Bacillus enclensis sp nov., isolated from sediment sample}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {105}, number = {1}, year = {2014}, month = {JAN}, pages = {199-206}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A novel bacterial strain, designated SGD-1123(T) was isolated from Chorao Island, in Goa Province, India. The strain was found to be able to grow at 15-42 A degrees C, pH 5-12 and 0-12 \% (w/v) NaCl. The whole cell hydrolysates were found to contain meso-diaminopimelic acid, galactose and arabinose. The major fatty acids were identified as iso-C-15:0 and anteiso-C-15:0, MK-7 was identified as the predominant menaquinone and the predominant polar lipids were identified as diphosphatidylglycerol, phosphatidylglycerol, phosphatidylethanolamine and an unidentified aminolipid. The genomic DNA G+C content was determined to be 44.6 mol\%. Phylogenetic analysis based on 16S rRNA gene sequences placed the isolate within the genus Bacillus and further revealed that strain SGD-1123(T) had highest sequence similarity with Bacillus aquimaris, and forms a separate clade with its closest relatives i.e. B. aquimaris, Bacillus vietnamensis and Bacillus marisflavi, with which it shares 94.5, 94.1 and 94.1 \% similarity respectively. The phylogenetic, chemotaxonomic and phenotypic analyses indicated that strain SGD-1123(T) represents a novel species within the genus Bacillus, for which the name Bacillus enclensis is proposed. The type strain is SGD-1123(T) (NCIM 5450(T)=CCTCC AB 2011125(T)).

}, keywords = {Bacillus sp, Marine sediment, Polyphasic}, issn = {0003-6072}, doi = {10.1007/s10482-013-0066-3}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Tang, Shan-Kun and Srinivasan, Krishnamurthi and Ramana, V. Venkata and Shouche, Yogesh S.} } @article {45941, title = {Back-to-back MOS{\textendash}Schottky (Pt{\textendash}SiO2{\textendash}Si{\textendash}C{\textendash}Pt) nano-heterojunction device as an efficient self-powered photodetector: one step fabrication by pulsed laser deposition }, journal = {Nanoscale}, volume = {6}, year = {2014}, month = {JAN}, pages = {3550-3556}, type = {Article}, abstract = {An efficient self-powered photodetector design involving a C{\textendash}Si hetero-interface with back-to-back MOS{\textendash}Schottky (Pt{\textendash}SiO2{\textendash}Si{\textendash}C{\textendash}Pt) device action is presented. Pulsed laser deposition of a carbon thin film is used which dynamically removes the native surface oxide to form the desired Schottky interface. The combined device action yields two orders of magnitude photoresponse at zero bias.}, issn = {2040-3372}, doi = { http://dx.doi.org/10.1039/C3NR06525A}, author = {Shaikh, P. A. and Thakare, V. P. and Late, D. J. and Ogale, S.} } @article { ISI:000330790100004, title = {Biocatalyst mediated regio- and stereo-selective hydroxylation and epoxidation of (Z)-alpha-santalol}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {7}, year = {2014}, month = {JAN}, pages = {1048-1051}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Biocatalyst mediated regio- and stereo-selective hydroxylation and epoxidation on (Z)-alpha-santalol were achieved for the first time, using a fungal strain Mucor piriformis. Four novel metabolites were characterized as 10,11-cis-beta-epoxy-alpha-santalol, 5 alpha-hydroxy-(Z)-alpha-santalol, 10,11-dihydroxy-alpha-santalol and 5 alpha-hydroxy-10,11-cis-beta-epoxy-alpha-santalol. Using Amano PS lipase from Burkholderia cepacia, alpha- and beta-isomers of 10,11-cis-epoxy-alpha-santalol were resolved efficiently.

}, issn = {1477-0520}, doi = {10.1039/c3ob42174k}, author = {Daramwar, Pankaj P. and Srivastava, Prabhakar Lal and Kolet, Swati P. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000331737000012, title = {Biogenic synthesis of selenium nanoparticles and their effect on as(III)-induced toxicity on human lymphocytes}, journal = {Biological Trace Element Research}, volume = {157}, number = {3}, year = {2014}, month = {MAR}, pages = {275-283}, publisher = {HUMANA PRESS INC}, type = {Article}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

{A bioreductive capacity of a plant, Terminalia arjuna leaf extract, was utilized for preparation of selenium nanoparticles. The leaf extract worked as good capping as well as stabilizing agent and facilitated the formation of stable colloidal nanoparticles. Resulting nanoparticles were characterized using UV-Vis spectrophotometer, transmission electron microscopy (TEM), energy dispersive X-ray analysis (EDAX), Fourier transform infrared spectroscopy (FT-IR), and X-ray diffraction analysis (XRD), respectively. The colloidal solution showed the absorption maximum at 390 nm while TEM and selected area electron diffraction (SAED) indicated the formation of polydispersed, crystalline selenium nanoparticles of size raging from 10 to 80 nm. FT-IR analysis suggested the involvement of O-H, N-H

}, keywords = {Arsenite, Comet assay, EDAX, MTT assay, Selenium nanoparticles, Terminalia arjuna}, issn = {0163-4984}, doi = {10.1007/s12011-014-9891-0}, author = {Prasad, Kumar Suranjit and Selvaraj, Kaliaperumal} } @article { ISI:000340223000038, title = {Blue, green, and orange-red emission from Polystyrene microbeads for solid-state white-light and multicolor emission}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {31}, year = {2014}, month = {AUG}, pages = {9467-9475}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Solid-state white-light emission was achieved from polystyrene (PS) microbeads incorporated with fluorophores based on perylene bisimide (PBITEG) and oligo(p-phenylenevinylene) (OPV) as acrylic cross-linkers. The PS beads incorporated with only PBITEG gave intense orange-red emission; PS incorporated with OPV exhibited blue-emission, whereas a series of polymers incorporating both cross-linkers exhibited varying shades of white-light emission. One of the PS samples, PS-PBITEG-6.25-OPV-4.28 (PBITEG incorporation: 6.25 X 10(-7) mole; OPV incorporation: 4.28 x 10(-7) mol), exhibited pure white-light emission in the powder form with CIE coordinates (0.33, 0.32). The rigid aromatic cross-linkers were incorporated into the PS backbone in a two-stage dispersion polymerization to afford PS beads in the size range 2 to 3 mu m. The incorporation of fluorophores as cross-linkers enabled covalent attachment of the dye to the polymer backbone, avoiding dye leakage besides avoiding aggregation-induced fluorescence quenching.

}, issn = {1520-6106}, doi = {10.1021/jp504718m}, author = {Sonawane, Swapnil L. and Asha, S. K.} } @article { ISI:000333808600006, title = {Blue luminescent graphene quantum dots by photochemical stitching of small aromatic molecules: fluorescent nanoprobes in cellular imaging}, journal = {Particle \& Particle Systems Characterization }, volume = {31}, number = {4}, year = {2014}, month = {APR}, pages = {433-438}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Blue fluorescent graphene quantum dots (GQDs) are synthesized from small haloaromatic molecules by laser photochemistry. The process involves a bottom-up photochemical stitching mechanism of the free radicals generated by irradiation of ultraviolet photons (lambda = 248 nm) on o-dichlorobenzene. The GQDs are further demonstrated to be of importance as fluorescent nanoprobes in bioimaging of cells.image

}, keywords = {bioimaging, free radicals, graphene quantum dots, photochemical stitching, UV laser}, issn = {0934-0866}, doi = {10.1002/ppsc.201300294}, author = {Gokhale, Rohan and Singh, Pooja} } @article { ISI:000343026600023, title = {Cationic charged helical glycopolypeptide using ring opening polymerization of 6-deoxy-6-azido-glyco-N-carboxyanhydride}, journal = {Biomacromolecules}, volume = {15}, number = {10}, year = {2014}, month = {OCT}, pages = {3679-3686}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Glycopolypeptides with a defined secondary structure are of significance in understanding biological phenomena. Synthetic glycopolypeptides, or polypeptides featuring pendant carbohydrate moieties, have been of particular interest in the field of tissue engineering and drug delivery. In this work, we have synthesized charged water-soluble glycopolypeptides that adopt a helical conformation in water. This was carried out by the synthesis of a glyco-N-carboxyanhydride (glyco-NCA) containing an azide group at the sixth position of the carbohydrate ring. Subsequently, the NCA was polymerized to obtain azide-containing glycopolypeptides having good control over molecular weight and polydispersity index (PDI) in high yields. We were also able to control the incorporation of the azide group by synthesizing random co-glycopolypeptide containing 6-deoxy-6-azido and regular 6-OAc functionalized glucose. This azide functionality allows for the easy attachment of a bioactive group, which could potentially enhance the biological activity of the glycopolypeptide. We were able to obtain water-soluble charged glycopolypeptides by both reducing the azide groups into amines and using CuAAC with propargylamine. These charged glycopolypeptides were shown to have a helical conformation in water. Preliminary studies showed that these charged glycopolypeptides showed good biocompatibility and were efficiently taken up by HepG2 cells.

}, issn = {1525-7797}, doi = {10.1021/bm5009537}, author = {Shaikh, Ashif Y. and Das, Soumen and Pati, Debasis and Dhaware, Vinita and Sen Gupta, Sayam and Hotha, Srinivas} } @article { ISI:000347265700005, title = {Characterization, non-isothermal decomposition kinetics and photocatalytic water splitting of green chemically synthesized polyoxoanions of molybdenum containing phosphorus as hetero atom}, journal = {Thermochimica Acta}, volume = {596}, year = {2014}, month = {NOV}, pages = {29-36}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In here, the green synthesis and thermal characterization of a novel polyoxoanions of molybdenum containing phosphorus as hetero atom are reported. The composition and morphology of the nanorods were established by fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. Thermal properties of the nanoparticles were investigated by non-isothermal analysis under nitrogen atmosphere. The values activation energy of each stage of thermal decomposition for all heating rates was calculated by Flynn-Wall-Ozawa (FWO) and Kissinger-Akahira-Sunnose (KAS) methods. Invariant kinetic parameter (IKP) method and master plot methodmere also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of cetylpyridinium phosphomolybdate (CPM). Photocatalytic water oxidation mechanism using CPM catalyst in the presence of platinum (Pt) co-catalyst enhances the H-2 evolution and was found to be 1.514 mmol/g/h. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Keggin structure, Master plot method, Polyoxometalate, Water oxidation}, issn = {0040-6031}, doi = {10.1016/j.tca.2014.09.010}, author = {D{\textquoteright}Cruz, Bessy and Samuel, Jadu and George, Leena} } @article { ISI:000347602400004, title = {Chemoselective deprotection of N-allylic amines using DDQ}, journal = {Tetrahedron Letters}, volume = {55}, number = {52}, year = {2014}, month = {DEC}, pages = {7172-7176}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A highly chemoselective and simple method for the deprotection of N-allylic amines using DDQ has been developed. The use of DDQ in dichloromethane-water provides a mild and efficient one-step deallylation of a wide variety of orthogonally protected tertiary amine derivatives. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Chemoselective deprotection, DDQ, N-Allylic amines, Orthogonally protected tertiary amines}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.10.136}, author = {Kumar, Pradeep and Cherian, Shijo K. and Jain, Ruchi and Show, Krishanu} } @article {46374, title = {Chickpea Kunitz Inhibitor: a mechanistic basis for trypsin inhibition}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C271}, type = {Meeting Abstract}, keywords = {Chickpea, Kunitz Inhibitor, Protease}, issn = {2053-2733}, author = {Bendre, Ameya Dipak and Ramasamy, Sureshkumar and Suresh, C. G.} } @article { ISI:000331624700039, title = {Chitosan and chitosan-co-poly(epsilon-caprolactone) grafted multiwalled carbon nanotube transducers for vapor sensing}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {14}, number = {3}, year = {2014}, month = {MAR}, pages = {2425-2435}, publisher = {AMER SCIENTIFIC PUBLISHERS}, type = {Article}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Vapor sensitive transducer films consisting of chitosan grafted (CNT-CS) and chitosan-co-polycaprolactone grafted (CNT-CS-PCL) multiwalled carbon nanotubes were prepared using a spray layer-by-layer technique. The synthesized materials (CNT-CS and CNT-CS-PCL) were characterized by Fourier transform infrared spectroscopy, C-13 CP/MAS solid state nuclear magnetic resonance spectroscopy and thermogravimetric analysis. Both CNT-CS and CNT-CS-PCL transducers were analyzed for the response of volatile organic compounds and toluene vapors. The ranking of the relative resistance (A(r)) for both chitosan based transducers were as follows: toluene \< chloroform \< ethanol \< methanol. The CNT transducer (CNT-CS) was correlated selectively with an exponential law to the inverse of Flory-Huggins interaction parameters, chi(12). Dosing the films on the interdigitated electrodes with methanol, ethanol, chloroform and toluene vapors increased the film resistance of CNT-CS but decreased the resistance of CNT-CS-PCL compared to that of the reported transducers.

}, keywords = {Biocompatibility, Chitosan, MWCNTs, Poly(epsilon-caprolactone), Vapour Sensing}, issn = {1533-4880}, doi = {10.1166/jnn.2014.8498}, author = {Rana, Vijay Kumar and Akhtar, Shamim and Chatterjee, Sudipta and Mishra, Satyendra and Singh, Raj Pal and Ha, Chang-Sik} } @article { ISI:000342018100001, title = {Cholesterol depletion by methyl-beta-cyclodextrin augments tamoxifen induced cell death by enhancing its uptake in melanoma}, journal = {Molecular Cancer}, volume = {13}, year = {2014}, month = {SEP}, pages = {Article No. 204}, publisher = {BIOMED CENTRAL LTD}, type = {Article}, address = {236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND}, abstract = {

Background: Despite modern advances in treatment, skin cancer is still one of the most common causes of death in the western countries. Chemotherapy plays an important role in melanoma management. Tamoxifen has been used either alone or in-combination with other chemotherapeutic agents to treat melanoma. However, response rate of tamoxifen as a single agent has been comparatively low. In the present study, we investigated whether treatment with methyl-beta-cyclodextrin (MCD), a cholesterol depleting agent, increases the efficacy of tamoxifen in melanoma cells. Methods: This was a two-part study that incorporated in vitro effects of tamoxifen and MCD combination by analyzing cell survival, apoptosis and cell cycle analysis and in vivo antitumor efficacy on tumor isografts in C57BL/6J mice. Results: MCD potentiated tamoxifen induced anticancer effects by causing cell cycle arrest and induction of apoptosis. Sensitization to tamoxifen was associated with down regulation of antiapoptotic protein Bcl-2, up-regulation of proapoptotic protein Bax, reduced caveolin-1 (Cav-1) and decreased pAkt/pERK levels. Co-administration of tamoxifen and MCD caused significant reduction in tumor volume and tumor weight in mice due to enhancement of drug uptake in the tumor. Supplementation with cholesterol abrogated combined effect of tamoxifen and MCD. Conclusion: Our results emphasize a potential synergistic effect of tamoxifen with MCD, and therefore, may provide a unique therapeutic window for improvement in melanoma treatment.

}, keywords = {Caveolin-1, Cholesterol, Methyl beta-cyclodextrin, Tamoxifen}, issn = {1476-4598}, doi = {10.1186/1476-4598-13-204}, author = {Mohammad, Naoshad and Malvi, Parmanand and Meena, Avtar Singh and Singh, Shivendra Vikram and Chaube, Balkrishna and Vannuruswamy, Garikapati and Kulkarni, Mahesh J. and Bhat, Manoj Kumar} } @article { ISI:000333226900011, title = {Cholesterol modulates the dimer interface of the beta(2)-adrenergic receptor via cholesterol occupancy sites}, journal = {Biophysical Journal}, volume = {106}, number = {6}, year = {2014}, month = {MAR}, pages = {1290-1300}, publisher = {CELL PRESS}, type = {Article}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, abstract = {

The beta(2)-adrenergic receptor is an important member of the G-protein-coupled receptor (GPCR) superfamily, whose stability and function are modulated by membrane cholesterol. The recent high-resolution crystal structure of the beta(2)-adrenergic receptor revealed the presence of possible cholesterol-binding sites in the receptor. However, the functional relevance of cholesterol binding to the receptor remains unexplored. We used MARTINI coarse-grained molecular-dynamics simulations to explore dimerization of the beta(2)-adrenergic receptor in lipid bilayers containing cholesterol. A novel (to our knowledge) aspect of our results is that receptor dimerization is modulated by membrane cholesterol. We show that cholesterol binds to transmembrane helix IV, and cholesterol occupancy at this site restricts its involvement at the dimer interface. With increasing cholesterol concentration, an increased presence of transmembrane helices I and II, but a reduced presence of transmembrane helix IV, is observed at the dimer interface. To our knowledge, this study is one of the first to explore the correlation between cholesterol occupancy and GPCR organization. Our results indicate that dimer plasticity is relevant not just as an organizational principle but also as a subtle regulatory principle for GPCR function. We believe these results constitute an important step toward designing better drugs for GPCR dimer targets.

}, issn = {0006-3495}, doi = {10.1016/j.bpj.2014.02.002}, author = {Prasanna, Xavier and Chattopadhyay, Amitabha and Sengupta, Durba} } @article { ISI:000330822900026, title = {Clay encapsulated Cu(OH)(x) promoted homocoupling of arylboronic acids: an efficient and eco-friendly protocol}, journal = {Applied Catalysis A-General}, volume = {470}, year = {2014}, month = {JAN}, pages = {232-238}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Cu(OH)(x) has been encapsulated over montmorillonite-KSF by simple ologomeric deposition strategy. The resulting catalyst has been employed for selective homocoupling of arylboronic acids under ambient conditions without requirement of any ligand or base. This catalyst is easy to recover and shows excellent reusability without losing its activity. Techniques like XRD, SEM, TPR, IR, BET surface area measurement and XPS were used to characterize the catalyst. The present method promises for the simple and clean homocoupling of arylboronic acids. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Biaryls, clay, Copper, Heterogenous catalyst, Homocoupling}, issn = {0926-860X}, doi = {10.1016/j.apcata.2013.10.048}, author = {Dar, Bashir Ahmad and Singh, Snehil and Pandey, Nalini and Singh, A. P. and Sharma, Priti and Lazar, Anish and Sharma, Meena and Vishwakarma, Ram A. and Singh, Baldev} } @article { ISI:000340872300007, title = {Clay-supported copper nitrate (Claycop): a mild reagent for the selective nitration of aromatic olefins}, journal = {Synlett}, volume = {25}, number = {14}, year = {2014}, month = {SEP}, pages = {1997-2000}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A straightforward and highly selective method has been developed for the nitration of a wide variety of aromatic and aliphatic olefins by using a clay-supported copper nitrate (Claycop) and a catalytic amount of (2,2,6,6-tetramethylpiperidin-1-yl)oxyl, an inexpensive and mild reagent system. High conversions and exclusive E-selectivity, together with the environmentally benign nature of the Claycop reagent, make this a green method and an attractive alternative to established methods.

}, keywords = {alkenes, nitrations}, issn = {0936-5214}, doi = {10.1055/s-0034-1378513}, author = {Begari, Eeshwaraiah and Singh, Chandani and Nookaraju, U. and Kumar, Pradeep} } @article {46397, title = {Cocrystals/salts of Furosemide : Interesting case of colour cocrystal polymorphism}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C724}, type = {Meeting Abstract}, keywords = {Color cocrystal polymorphism, Sandwich assembly, Stacking interactions}, issn = {2053-2733}, author = {Sangtani, Ekta and Jha, Kunal and Munshi, Parthapratim and Gonnade, Rajesh} } @article { ISI:000333089400003, title = {Co(III)(salen)-catalyzed phenolic kinetic resolution of two stereocentered benzyloxy and azido epoxides: its application in the synthesis of ICI-118,551, an anti-hypertensive agent}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {15}, year = {2014}, month = {FEB}, pages = {2349-2355}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The salen Co(III)-catalyzed phenolic kinetic resolution of racemic anti- or syn-azido and benzyloxy epoxides provides a practical route to a range of enantioenriched anti-or syn-1-aryloxy-3-azido or benzyloxy-2-alcohols in excellent yields and ees. The synthetic potential of this protocol is illustrated with an enantioselective synthesis of ICI-118,551, a beta-blocker, in a highly optically pure form (99\% ee).

}, issn = {1477-0520}, doi = {10.1039/c3ob42501k}, author = {Karabal, Pratibha U. and Kamble, Dayanand A. and Sudalai, Arumugam} } @article { ISI:000349902200001, title = {Computational investigation on the catalytic activity of Rh-6 and Rh4Ru2 clusters towards methanol activation}, journal = {Theoretical Chemistry Accounts }, volume = {134}, number = {1}, year = {2014}, month = {DEC}, pages = {1597}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Catalysis of molecular activation of small molecules through scission of strong chemical bonds is one of the major challenges faced by chemists. More specifically, activation of the strong C-H and O-H bonds of various alcohols, especially methanol, is one of the various important intermediate steps of key organic reactions. Our present work explores a suitable metal cluster catalyst towards methanol dissociation. In particular, we have examined the effect of ruthenium doping (Rh:Ru = 2:1) on the catalytic activity of Rh-6 cluster towards methanol dissociation. Density functional theory-based calculations illustrate two competitive pathways for methanol dissociation, which are via O-H and C-H bond breaking. Both the pathways are found to be energetically favourable in the presence of bimetallic and mono-metallic clusters. Importantly, energy barrier for O-H bond dissociation reduces considerably in doped cluster as compared to pure Rh-6 cluster and is smaller than the values reported for a number of other small metallic clusters.

}, keywords = {Bimetallic Clusters, Density Functional Theory (DFT), Doping, Methanol Activation, Rhodium Clusters}, issn = {1432-881X}, doi = {10.1007/s00214-014-1597-z}, author = {Ghatak, Kamalika and Sengupta, Turbasu and Krishnamurty, Sailaja and Pal, Sourav} } @article { ISI:000338184000007, title = {Concise account of various approaches for stereoselective construction of the C-20(H) stereogenic center in steroid side chain}, journal = {Chemical Reviews}, volume = {114}, number = {12}, year = {2014}, month = {JUN}, pages = {6349-6382}, publisher = {AMER CHEMICAL SOC}, type = {Review}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, issn = {0009-2665}, doi = {10.1021/cr4004083}, author = {Shingate, Bapurao B. and Hazra, Braja G.} } @article { ISI:000328606500015, title = {Concise enantioselective syntheses of (+)-L-733,060 and (2S,3S)-3-hydroxypipecolicw acid by cobalt(III)(salen)-catalyzed two-stereocenter hydrolytic kinetic resolution of racemic azido epoxides}, journal = {Synlett}, volume = {25}, number = {1}, year = {2014}, month = {JAN}, pages = {102-104}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

An efficient synthesis of the 2,3-disubstituted piperidines (+)-L-733,060 and (2S,3S)-3-hydroxypipecolic acid (99\% ee) in high optical purity from commercially available starting materials is described. The strategy involves a cobalt-catalyzed hydrolytic kinetic resolution of a racemic azido epoxide with two stereocenters and an intramolecular reductive cyclization as key reactions.

}, keywords = {azides, cyclizations, epoxides, piperidines, stereoselective synthesis, Wittig reactions}, issn = {0936-5214}, doi = {10.1055/s-0033-1340074}, author = {Devalankar, Dattatray A. and Chouthaiwale, Pandurang V. and Sudalai, Arumugam} } @article { ISI:000332388900042, title = {Confined space synthesis of fully alloyed and sinter-resistant AuPd nanoparticles encapsulated in porous silica}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {12}, year = {2014}, month = {JAN}, pages = {4398-4405}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Facile synthesis of highly sinter-resistant silica encapsulated Au-Pd alloy nanocatalysts with average particle size stabilized at similar to 4.5 nm even after calcination at 750 degrees C temperature is reported. The synthesis was achieved by utilizing thiol protected ultra small clusters of Au and Pd as precursors for silica encapsulation. The presence of intimate mixtures of the clusters within silica encapsulation ensures the formation of fully alloyed nanoparticles at high temperatures, at the same time controlling further growth and sintering. At optimum alloy compositions, these catalysts showed high catalytic activity for CO oxidation displaying low light-off temperatures.

}, issn = {2050-7488}, doi = {10.1039/c3ta15194h}, author = {Samanta, Anupam and Rajesh, Thattarathody and Devi, R. Nandini} } @article { ISI:000331895900018, title = {Conformational modulation of peptide secondary structures using beta-aminobenzenesulfonic acid}, journal = {Chemical Communications}, volume = {50}, number = {22}, year = {2014}, month = {JAN}, pages = {2886-2888}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the influence of beta-aminobenzenesulfonic acid ((S)Ant) on the conformational preferences of hetero foldamers. The designed (Aib-(S)Ant-Aib)(n) and (Aib-(S)Ant-Pro)(n) oligomers display a well-defined folded conformation featuring intramolecular mixed hydrogen bonding (7/11) and intra-residual (6/5) H-bonding interactions, respectively.

}, issn = {1359-7345}, doi = {10.1039/c3cc48850k}, author = {Kale, Sangram S. and Kunjir, Shrikant M. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000334147300006, title = {Conformational transitions of cinnamoyl CoA reductase 1 from leucaena leucocephala}, journal = {International Journal of Biological Macromolecules }, volume = {64}, year = {2014}, month = {MAR}, pages = {30-35}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Conformational transitions of cinnamoyl CoA reductase, a key regulatory enzyme in lignin biosynthesis, from Leucaena leucocephala (L1-CCRH1) were studied using fluorescence and circular dichroism spectroscopy. The native protein possesses four trp residues exposed on the surface and 66\% of helical structure, undergoes rapid structural transitions at and above 45 C and starts forming aggregates at 55 C. LI-CCRH1 was transformed into acid induced (pH 2.0) molten globule like structure, exhibiting altered secondary structure, diminished tertiary structure and exposed hydrophobic residues. The molten globule like structure was examined for the thermal and chemical stability. The altered secondary structure of Ll -CCRH1 at pH 2.0 was stable up to 90 C. Also, in presence of 0.25 M guanidine hydrochloride (GdnHCI), it got transformed into different structure which was stable in the vicinity of 2 M GdnHCI (as compared to drastic loss of native structure in 2 M GdnHC1) as seen in far UV-CD spectra. The structural transition of LI-CCRH1 at pH 2.0 followed another transition after readjusting the pH to 8.0, forming a structure with hardly any similarity to that of native protein. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Aggregation Cinnamoyl CoA reductase, Conformation, Molten globule, Thermostability, Unfolding}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.11.024}, author = {Sonawane, Prashant D. and Khan, Bashir Mohammad and Gaikwad, Sushama M.} } @article { ISI:000330489500002, title = {Controlled release of antimicrobial Cephalexin drug from silica microparticles}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {34}, year = {2014}, month = {JAN}, pages = {9-14}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Release of antimicrobial drugs in a controlled fashion for extended duration of time has been investigated for long. Such controlled-drug-releasing materials show promising applications in medicinal bandages. Along with antimicrobial agents, one could also incorporate other therapeutic drugs, to make such bandages more versatile. In this context, silica micro particles were synthesized using direct reduction method, in which the synthesis was done in the presence of Cephalexin. Cephalexin was chosen as an antimicrobial candidate. The morphological characterization shows formation of monodispersed, silica microparticles of similar to 200 nm in size. The FTIR spectroscopy shows weak interaction of the drug molecule at its hydroxide (OH) site with oxygen ions on the silica surface. Upon conjugation, the UV-vis spectroscopy shows persistence of the Cephalexin signature, especially its R group, confirming its antimicrobial activity even after conjugation. Loading studies reveal 12\% Cephalexin loading on silica. The antimicrobial studies were done on three micro-organisms, namely, Staphylococcus aureus, Bacillus subtilis and Escherichia coli. Using zone-of-inhibition studies, it was found that E. coli, did not respond to the delivery of Cephalexin either directly or via microparticles. However, for both S. aureus and B. subtilis, the particles showed controlled release of Cephalexin for the duration of 48 h and continued maintenance and even increase in the zone of inhibition. This work demonstrates an effective protocol to prepare antimicrobial patches for controlled drug delivery. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Antimicrobial, Medicinal bandage, Silica microparticles, sustained drug release}, issn = {0928-4931}, doi = {10.1016/j.msec.2013.10.002}, author = {Rao, B. V. Bhaskara and Mukherji, Ruchira and Shitre, G. and Alam, F. and Prabhune, Asmita and Kale, Sangeeta N.} } @article { ISI:000334572800050, title = {Controlling the cell adhesion property of silk films by graft polymerization}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {7}, year = {2014}, month = {APR}, pages = {5005-5011}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report here a graft polymerization method to improve the cell adhesion property of Bombyx mori silk fibroin films. B. mori silk has evolved as a promising material for tissue engineering because of its biocompatibility and biodegradability. However, silk{\textquoteright}s hydrophobic character makes cell adhesion and proliferation difficult. Also, the lack of sufficient reactive amino acid residues makes biofunctionalization via chemical modification challenging. Our study describes a simple method that provides increased chemical handles for tuning of the surface chemistry of regenerated silk films (SFs), thus allowing manipulation of their bioactivity. By grafting pAAc and pHEMA via plasma etching, we have increased carboxylic acid and hydroxyl groups on silk, respectively. These modifications allowed us to tune the hydrophilicity of SFs and provide functional groups for bioconjugation. Our strategy also allowed us to develop silk-based surface coatings, where spatial control over cell adhesion can be achieved. This control over cell adhesion in a particular region of the SFs is difficult to obtain via existing methods of modifying the silk fibroin instead of the SF surface. Thus, our strategy will be a valuable addition to the toolkit of biofunctionalization for enhancing SFs{\textquoteright} tissue engineering applications.

}, keywords = {Bombyx mori, polymer grafting cell adhesion, silk films}, issn = {1944-8244}, doi = {10.1021/am4060595}, author = {Dhyani, Vartika and Singh, Neetu} } @article { ISI:000338988800008, title = {Copper(I) bromide-catalyzed carbonylative coupling of aryl halides with phenols, alcohols and amines using sodium cyanide as C-1 source: a synthesis of carboxylic acid derivatives}, journal = {Advanced Synthesis \& Catalysis}, volume = {356}, number = {10}, year = {2014}, month = {JUL}, pages = {2231-2238}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A new {\textquoteleft}{\textquoteleft}carbon monoxide-free{\textquoteright}{\textquoteright} synthesis of carboxylate derivatives via carbonylative coupling of aryl bromides with phenols, alcohols, amines and acids in the presence of copper(I) bromide as catalyst and sodium cyanide in a stoichiometric amount has been developed. Its intramolecular version provides for the preparation of lactones (e.g., isochroman-1-ones and isobenzfuranones), imides, anhydrides and lactams in excellent yields (73-96\%).

}, keywords = {anhydrides, C-1 building blocks, isochroman-1-ones, lactams, lactones}, issn = {1615-4150}, doi = {10.1002/adsc.201301155}, author = {Prasad, Pragati K. and Sudalai, Arumugam} } @article { ISI:000344793700010, title = {Correlation of the solid-state reactivities of racemic 2,4(6)-di-O-benzoyl-myo-inositol 1,3,5-orthoformate and its 4,4 {\textquoteleft}-bipyridine cocrystal with their crystal structures}, journal = {Acta Crystallographica Section C-Structural Chemistry}, volume = {70}, number = {11}, year = {2014}, month = {NOV}, pages = {1040+}, publisher = {WILEY-BLACKWELL}, type = {Article}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Racemic 2,4(6)-di-O-benzoyl-myo-inositol 1,3,5-orthoformate, C21H18O8, (1), shows a very efficient intermolecular benzoyl-group migration reaction in its crystals. However, the presence of 4,4 {\textquoteleft}-bipyridine molecules in its cocrystal, C21H18O8 center dot C10H8N2, (1)center dot BP, inhibits the intermolecular benzoyl-group transfer reaction. In (1), molecules are assembled around the crystallographic twofold screw axis (b axis) to form a helical self-assembly through conventional O-H center dot center dot center dot O hydrogen-bonding interactions. This helical association places the reactive C6-O-benzoyl group (electrophile, El) and the C4-hydroxy group (nucleophile, Nu) in proximity, with a preorganized El center dot center dot center dot Nu geometry favourable for the acyl transfer reaction. In the cocrystal (1)center dot BP, the dibenzoate and bipyridine molecules are arranged alternately through OH center dot center dot center dot N interactions. The presence of the bipyridine molecules perturbs the regular helical assembly of the dibenzoate molecules and thus restricts the solid-state reactivity. Hence, unlike the parent dibenzoate crystals, the cocrystals do not exhibit benzoyl-transfer reactions. This approach is useful for increasing the stability of small molecules in the crystalline state and could find application in the design of functional solids.

}, keywords = {acyl transfer, cocrystal, crystal structure, design of functional solids, helical assembly, hydrogen bonding, myo-inositol, solid-state reactions}, issn = {0108-2701}, doi = {10.1107/S2053229614021834}, author = {Tamboli, Majid I. and Bahadur, Vir and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article { ISI:000332716400001, title = {Counter-ion dependent, longitudinal unzipping of multi-walled carbon nanotubes to highly conductive and transparent graphene nanoribbons}, journal = {Scientific Reports}, volume = {4}, year = {2014}, month = {MAR}, pages = {Article No. : 4363}, publisher = {NATURE PUBLISHING GROUP}, type = {Article}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Here we report for the first time, a simple hydrothermal approach for the bulk production of highly conductive and transparent graphene nanoribbons (GNRs) using several counter ions from K2SO4, KNO3, KOH and H2SO4 in aqueous media, where, selective intercalation followed by exfoliation gives highly conducting GNRs with over 80\% yield. In these experiments, sulfate and nitrate ions act as a co-intercalant along with potassium ions resulting into exfoliation of multi-walled carbon nanotubes (MWCNTs) in an effective manner. The striking similarity of experimental results in KOH and H2SO4 that demonstrates partially damaged MWCNTs, implies that no individual K+, SO42- ion plays a key role in unwrapping of MWCNTs, rather this process is largely effective in the presence of both cations and anions working in a cooperative manner. The GNRs can be used for preparing conductive 16 k Omega sq(-1), transparent (82\%) and flexible thin films using low cost fabrication method.

}, issn = {2045-2322}, doi = {10.1038/srep04363}, author = {Shinde, Dhanraj B. and Majumder, Mainak and Pillai, Vijayamohanan K.} } @article { ISI:000341579600004, title = {Coupled cluster methods for autoionisation resonances}, journal = {International Reviews in Physical Chemistry}, volume = {33}, number = {3}, year = {2014}, month = {SEP}, pages = {397-425}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The quantum chemical calculation of autoionisation resonances in many-electron systems is a highly challenging task due to the ionisation continuum involved. Recently, advances were reported where conventionally used ab initio codes can be employed to compute autoionisation resonances. This is made possible by the use of analytical continuation tools such as complex scaling and complex absorbing potential (CAP) in the electronic structure codes. We review the formulation and the use of complex scaling and CAP in coupled cluster methods for the electron correlated calculation of energy position and autoionisation decay rate of resonance states. The application of analytically continued coupled cluster method for the correlated calculation of interatomic or intermolecular Coulombic decay process is also discussed.

}, keywords = {autoionisation resonances, complex absorbing potential, complex scaling, equation-of-motion coupled cluster, Fock space multi-reference-coupled cluster, intermolecular Coulombic decay}, issn = {0144-235X}, doi = {10.1080/0144235X.2014.935585}, author = {Sajeev, Y. and Ghosh, A. and Vaval, N. and Pal, S.} } @article { ISI:000345460800049, title = {Covalently anchored 2,4,6-triallyloxy-1,3,5-triazine Pd(II) complex over a modified surface of SBA-15: catalytic application in hydrogenation reaction}, journal = {RSC Advances}, volume = {4}, number = {102}, year = {2014}, month = {OCT}, pages = {58467-58475}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Highly efficient and reusable SBA-15-TAT-Pd(II) has been synthesized by anchoring a 2,4,6-triallyloxy-1,3,5-triazine (TAT) complex over the organo-functionalized surface of SBA-15. The physiochemical properties of the organo-functionalized catalyst were analyzed by elemental analysis, ICP-OES, XRD, N-2 sorption measurement isotherm, TGA \& DTA, solid state C-13, Si-29 NMR spectra, FT-IR, XPS, DRS UV-visible, SEM and TEM. XRD \& N-2 sorption were analyzed to find out the textural properties of the synthesized catalyst and confirm that an ordered mesoporous channel structure was retained even after the multistep synthetic procedures. The electronic environment and oxidation state of Pd in SBA-15-TAT-Pd(II) were monitored by XPS and DRS UV-visible techniques. The catalytic activity of the synthesized catalyst SBA-15-TAT-Pd(II) was screened for hydrogenation reactions and shows higher catalytic activity with good turnover numbers (TON) under optimized experimental conditions with maximum conversion (\> 99\%) and selectivity (100\%). The anchored solid catalyst can be recycled efficiently and reused upto five times without major loss in reactivity.

}, issn = {2046-2069}, doi = {10.1039/c4ra10002f}, author = {Sharma, Priti and Singh, A. P.} } @article { ISI:000341855900027, title = {Cross dimerization of amyloid-beta and alpha synuclein proteins in aqueous environment: a molecular dynamics simulations study}, journal = {Plos One}, volume = {9}, number = {9}, year = {2014}, month = {SEP}, pages = {Article No. : e106883}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Self-assembly of the intrinsically unstructured proteins, amyloid beta (A beta) and alpha synclein (alpha Syn), are associated with Alzheimer{\textquoteright}s Disease, and Parkinson{\textquoteright}s and Lewy Body Diseases, respectively. Importantly, pathological overlaps between these neurodegenerative diseases, and the possibilities of interactions between A beta and alpha Syn in biological milieu emerge from several recent clinical reports and in vitro studies. Nevertheless, there are very few molecular level studies that have probed the nature of spontaneous interactions between these two sequentially dissimilar proteins and key characteristics of the resulting cross complexes. In this study, we have used atomistic molecular dynamics simulations to probe the possibility of cross dimerization between alpha Syn(1-95) and A beta(1-42), and thereby gain insights into their plausible early assembly pathways in aqueous environment. Our analyses indicate a strong probability of association between the two sequences, with inter-protein attractive electrostatic interactions playing dominant roles. Principal component analysis revealed significant heterogeneity in the strength and nature of the associations in the key interaction modes. In most, the interactions of repeating Lys residues, mainly in the imperfect repeats {\textquoteleft}KTKEGV{\textquoteright} present in alpha Syn(1-95) were found to be essential for cross interactions and formation of inter-protein salt bridges. Additionally, a hydrophobicity driven interaction mode devoid of salt bridges, where the non-amyloid component (NAC) region of alpha Syn(1-95) came in contact with the hydrophobic core of A beta(1-42) was observed. The existence of such hetero complexes, and therefore hetero assembly pathways may lead to polymorphic aggregates with variations in pathological attributes. Our results provide a perspective on development of therapeutic strategies for preventing pathogenic interactions between these proteins.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0106883}, author = {Jose, Jaya C. and Chatterjee, Prathit and Sengupta, Neelanjana} } @article { ISI:000346322200038, title = {Crystal shape evolution using polyhedral population balance}, journal = {Industrial \& Engineering Chemistry Research}, volume = {53}, number = {49}, year = {2014}, month = {DEC}, pages = {18966-18974}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Research on crystal morphology covers shape evolution of single crystal and evolution of the size and shape distribution of populations of crystals. The population balance models have been used for the single or multiple dimensions for predicting the evolution of crystal size distributions (CSDs). More often than not these models do not consider the change in solute concentration due to disappearance/appearance of the crystal faces and therefore compromise rigorous mass balance. The present work focuses on the methodology for the morphological evolution of crystal shape using a polyhedral population balance model. This methodology is based on the morphodrome which illustrates the shapes of crystals at various operating conditions. gPROMS software (PSE, UK) along with Microsoft Excel is used to devise the framework for predicting the crystal shape evolution. The developed approach and models can be implemented for various crystallization systems and will be useful for simulating crystal shape evolutions.

}, issn = {0888-5885}, doi = {10.1021/ie501039c}, author = {Shaikh, Latif J. and Ranade, Vivek V. and Pandit, Aniruddha B.} } @article { ISI:000342609300017, title = {Crystal-to-crystal thermal phase transformation of polymorphs of isomeric 2,3-naphthalene diol ditoluates: mechanism and implications for molecular crystal formation and melting}, journal = {Crystal Growth \& Design}, volume = {14}, number = {10}, year = {2014}, month = {OCT}, pages = {4985-4996}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Isomeric para- (1) and meta- (2) ditoluate derivatives of naphthalene 2,3-diol exhibited polymorphism producing three (Forms 1I, 1II, 1III) and two (Forms 2I, 2II) polymorphs each, respectively, depending on the solvent and conditions of crystallization. Crystal forms 1I, 1II, and 2I could be obtained repeatedly, whereas crystal forms 1III and 2II were obtained (separately) in one of the crystallization experiments, each. All the crystal forms were stable at ambient conditions, except for Form 2II, which disintegrated to a powder over 45 days. In contrast, the ortho-ditoluate (3) of naphthalene 2,3-diol did not exhibit polymorphism; it yielded fibrous chiral crystals from different solvents/conditions. Crystal structure analysis of all these polymorphs revealed dominance of energetically similar weak intermolecular interactions such as CH center dot center dot center dot O, CH center dot center dot center dot pi, pi center dot center dot center dot pi, and their interplay in molecular aggregation resulting in polymorphic modifications. Differential scanning calorimetry (DSC), hot stage microscopy, single crystal and powder X-ray diffraction measurements revealed crystal-to-crystal thermal transformation of Forms 1I and 1II crystals to Form 1III crystals and Form 2II crystals to Form 2I crystals. The transformation of Form 1I and Form 1II crystals to Form 1III crystals can be viewed as progressive destabilization of the crystal lattice during heating and converting to metastable phase, whereas the conversion of Form 2II to Form 2I crystals can be considered as reorganization of an unstable crystalline phase to a stable crystalline phase. Hence comparative studies of the structure of stable, metastable, or transient crystals and crystal-to-crystal transformations involving these forms could aid in unraveling the process of crystallization.

}, issn = {1528-7483}, doi = {10.1021/cg5005227}, author = {Tamboli, Majid I. and Krishnaswamy, Shobhana and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article { ISI:000335551200002, title = {C@SiNW/TiO2 core-shell nanoarrays with sandwiched carbon passivation layer as high efficiency photoelectrode for water splitting}, journal = {Scientific Reports}, volume = {4}, year = {2014}, month = {MAY}, pages = {4897}, publisher = {NATURE PUBLISHING GROUP}, type = {Article}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

One-dimensional heterostructure nanoarrays are efficiently promising as high performance electrodes for photo electrochemical (PEC) water splitting applications, wherein it is highly desirable for the electrode to have a broad light absorption, efficient charge separation and redox properties as well as defect free surface with high area suitable for fast interfacial charge transfer. We present highly active and unique photoelectrode for solar H-2 production, consisting of silicon nanowires (SiNWs)/TiO2 core-shell structures. SiNWs are passivated to reduce defect sites and protected against oxidation in air or water by forming very thin carbon layer sandwiched between SiNW and TiO2 surfaces. This carbon layer decreases recombination rates and also enhances the interfacial charge transfer between the silicon and TiO2. A systematic investigation of the role of SiNW length and TiO2 thickness on photocurrent reveals enhanced photocurrent density up to 5.97 mA/cm(2) at 1.0 V vs. NHE by using C@SiNW/TiO2 nanoarrays with photo electrochemical efficiency of 1.17\%.

}, issn = {2045-2322}, doi = {10.1038/srep04897}, author = {Devarapalli, Rami Reddy and Debgupta, Joyashish and Pillai, Vijayamohanan K. and Shelke, Manjusha V.} } @article { ISI:000329886900036, title = {Cu(II) conjugation along the transformation of a vitamin K-3 derivative to a dinaphthoquinone methide radical}, journal = {New Journal of Chemistry}, volume = {38}, number = {1}, year = {2014}, month = {JAN}, pages = {277-284}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

1,1{\textquoteright}-Methide-bi-vitamin K-3 (B) has been isolated as a dinaphthoquinone methide radical (DNQM) by the transformation of 1-imino(acetylhydrazino)-vitamin K-3 (A). The transformation follows a biomimetic activation pathway mediated via Cu(II) ion catalyzed oxidative coupling. Single crystal X-ray and electron spin resonance (ESR) experiments combined with density functional calculations elucidate the {\textquoteleft}{\textquoteleft}resonance structure{\textquoteright}{\textquoteright} of the DNQM radical (B). Fluorescence investigations reveal that DNQM facilitates interaction with the cysteine residue. As compared to the parent substrate, B shows a depletion in the level of GSH, triggering apoptosis in HeLa cells.

}, issn = {1144-0546}, doi = {10.1039/c3nj00783a}, author = {Badave, Kirti D. and Patil, Shalaka S. and Khan, Ayesha A. and Srinivas, Darbha and Butcher, Raymond J. and Gonnade, Rajesh G. and Puranik, Vedavati G. and Pinjari, Rahul V. and Gejji, Shridhar P. and Rane, Sandhya Y.} } @article { ISI:000331347300019, title = {Culturable bacterial phylogeny from a shallow water hydrothermal vent of espalamaca (Faial, Azores) reveals a variety of novel taxa}, journal = {Current Science}, volume = {106}, number = {1}, year = {2014}, month = {JAN}, pages = {58-69}, publisher = {INDIAN ACAD SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Phylogenetic diversity of the 16S rRNA gene associated with the domain bacteria was examined at the level of operational taxonomic units (OTUs) using the rarefaction analysis from a newly identified shallow water hydrothermal vent, Espalamaca in the Azorean Island Faial (Horta), North Atlantic Ocean. Diluted sea water nutrient agar amended with metals manganese, lead, iron and element sulphur, could help in retrieving highest OTUs (95) from the vent and 39 OTUs from nonvent. Molecular tools implemented on bacterial census indicated the occupancy of gamma-Proteobacteria by 55.78\%, alpha-Proteobacteria by 21.05\% and 12.63\% of Bacteroidetes in the total population. Occurrence of novel species maximized with alpha-Proteobacteria (11/20) followed by Bacteroidetes (5/12) signified the necessity of studying these groups to strengthen the biodiversity database. Shannon index (H{\textquoteright}) and the Chao I richness estimator illustrated a strong bacterial community in the venting area. The current study confers many bacterial genera which were not reported earlier in any of the shallow water vents and adds 33 new taxa to the database.

}, keywords = {Bacterial phylogeny, metals, novel taxa, rarefaction analysis, shallow vent}, issn = {0011-3891}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Colaco, Ana and Dastager, Syed Gulam and Santos, Ricardo Serrao and Meena, Ram Murti} } @article { ISI:000339729400018, title = {CVD synthesis of graphene nanoplates on MgO support}, journal = {Materials Science-Poland}, volume = {32}, number = {2}, year = {2014}, month = {JUN}, pages = {243-246}, publisher = {OFICYNA WYDAWNICZA POLITECHNIKI WROCLAWSKIEJ}, address = {WYBRZEZE WYSPIANSKIEGO 27, 50-370 WROCLAW, POLAND}, abstract = {

Synthesis of graphene directly on MgO has been carried out and the structural properties of the obtained material have been investigated. Few-layered graphene was produced by simple thermal decomposition of methane over MgO powder at 950 A degrees C in a CVD reactor. The samples were purified by 10 N HNO3 treatment, and studied by TEM, Raman spectroscopy, EDAX and SEM. TEM clearly indicated the formation of graphene. EDAX showed that the purified sample contained only carbon and no traces of MgO. The characteristic Raman features of graphene were also seen as D-band at 1316 cm(-1), G-band at 1602 cm(-1), and a small 2D-band at 2700 cm(-1) in the Raman spectra. The strong D-band suggests that the graphene possess large number of boundary defects. The small 2D-band indicates the formation of few-layered graphene.

}, keywords = {graphene, magnesium oxide, nanographene}, issn = {2083-1331}, doi = {10.2478/s13536-013-0193-6}, author = {Jugade, Ravin M. and Sharma, Shalini and Gokhale, Suresh} } @article { ISI:000339692700028, title = {Defluoridation using biomimetically synthesized nano zirconium chitosan composite: kinetic and equilibrium studies}, journal = {Journal of Hazardous Materials}, volume = {276}, year = {2014}, month = {JUL}, pages = {232-240}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{The present study reports a novel approach for synthesis of Zr nanoparticles using aqueous extract of Aloe vera. Resulting nanoparticles were embedded into chitosan biopolymer and termed as CNZr composite. The composite was subjected to detailed adsorption studies for removal of fluoride from aqueous solution. The synthesized Zr nanoparticles showed UV-vis absorption peak at 420 nm. TEM result showed the formation of polydispersed, nanoparticles ranging from 18 nm to 42 nm. SAED and XRD analysis suggested an fcc (face centered cubic) Zr crystallites. EDAX analysis suggested that Zr was an integral component of synthesized nanoparticles. FT-IR study indicated that functional group like -NH

}, keywords = {Aloe vera, Chitosan, FT-IR spectroscopy, Sorption, Zirconium nanoparticles}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2014.05.038}, author = {Prasad, Kumar Suranjit and Amin, Yesha and Selvaraj, Kaliaperumal} } @article { ISI:000343958900048, title = {Design and development of POCN-pincer palladium catalysts for C-H bond arylation of azoles with aryl iodides}, journal = {Dalton Transactions}, volume = {43}, number = {42}, year = {2014}, month = {NOV}, pages = {16084-16096}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{Well-defined and efficient POCN-ligated palladium complexes have been developed for the direct C H bond arylation of azoles with aryl iodides. The phosphinite-amine pincer ligands 1-(R2PO)-C6H4-3-((CH2NPr2)-Pr-i) 1R2POCNIPr2-H; R = {\textquoteleft}Pr (1a)

}, issn = {1477-9226}, doi = {10.1039/c4dt01547a}, author = {Khake, Shrikant M. and Soni, Vineeta and Gonnade, Rajesh G. and Punji, Benudhar} } @article { ISI:000341619500004, title = {Design of efficient metal-free organic dyes having an azacyclazine scaffold as the donor fragment for dye-sensitized solar cells}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {36}, year = {2014}, month = {SEP}, pages = {20763-20771}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The energy conversion efficiency of dye-sensitized solar cells derived from organic dye molecules has seen immense interest recently. In this work, we report a series of organic donor molecules with enhanced energy conversion efficiency using ?-spacers and cyanoacrylic acid as an anchoring group (2-6). Density functional theory (DFT) and time-dependent DFT calculations of these molecules have been performed to examine their electronic structures and absorption spectra before and after binding to the semiconductor titanium dioxide surface. The computational results suggest that dyes 4 and 6 have a larger driving force (Delta G(inject) = -1.66 and -1.80 eV, respectively) and light-harvesting efficiency (LHE = 0.99) in the series of donor molecules studied. Thus, these dyes should possess a larger short-circuit photocurrent density (J(sc)) compared to the other examined dyes. The reported Delta G(inject) (-1.62 eV) and LHE (0.98) for compound 1, calculated with the same level of theory, were lower than those of the designed 4 and 6 dyes. Furthermore, the DFT calculations showed that the open-circuit photovoltage (V-oc) is improved with the vertical dipole moment and number of photoinjected electrons for 4 and 6. Dyes 4 and 6 are expected to exhibit high solar-energy-to-electricity conversion.

}, issn = {1932-7447}, doi = {10.1021/jp5049953}, author = {Biswas, Abul Kalam and Barik, Sunirmal and Sen, Anik and Das, Amitava and Ganguly, Bishwajit} } @article { ISI:000345065400015, title = {Development of a novel method to grow mono-/few-layered MoS2 films and MoS2-graphene hybrid films for supercapacitor applications}, journal = {CrystEngComm}, volume = {16}, number = {47}, year = {2014}, month = {OCT}, pages = {10845-10855}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The controlled synthesis of highly crystalline MoS2 atomic layers remains a challenge for practical applications of this emerging material. We demonstrate a facile method to synthesize crystalline mono-layered/few-layered MoS2 thin films at the liquid-liquid interface which can be suitably transferred to the substrates. The films are characterized by XRD for their crystal structure and by SEM and TEM for the morphology. MoS2 nanosheet-graphene nanosheet (MoS2-GNS) hybrid films have been developed by the application of layer-by-layer (LbL) techniques. Cyclic voltammetry and other electrochemical characterization techniques reveal that the hybrid film electrode shows a specific capacitance of 282 F g(-1) at a scan rate of 20 mV s(-1). The as-obtained hybrid electrode is robust and exhibits much improved cycle life (\>1000), retaining over 93\% of its initial capacitance as revealed by galvanostatic charge/discharge studies. The confirmation of better performance as a supercapacitor of the composite was studied by electrochemical impedance spectroscopy. These results indicate that the MoS2-GNS hybrid is a promising candidate for the electrode material in supercapacitor applications.

}, issn = {1466-8033}, doi = {10.1039/c4ce01595a}, author = {Patil, Sagar and Harle, Arti S. and Sathaye, Shivaram and Patil, Kashinath} } @article { ISI:000333730900019, title = {Dilution does the trick: role of mixed solvent evaporation in controlling nanoparticle self-assembly}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {447}, year = {2014}, month = {APR}, pages = {142-147}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An easy and convenient way to prepare superlattices of amine capped gold nanoparticles is presented. It is clearly established that solvent evaporation significantly influences the nature of resulting superlattices and critically governs whether monolayer or multilayer superlattices are formed. More specifically, it is demonstrated that dilution of the nanoparticle dispersion with a similar solvent (but with different vapour pressure) is an expedient handle to control the nature of self-assembly. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Evaporation rate, gold nanoparticles, Nucleation, Self-assembly}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2014.01.070}, author = {Sahu, Puspanjali and Bhagavatula L. V. Prasad} } @article { ISI:000342087400004, title = {Discontinuous two step flow synthesis of m-aminoacetophenone}, journal = {Green Processing and Synthesis}, volume = {3}, number = {4}, year = {2014}, month = {AUG}, pages = {279-285}, publisher = {WALTER DE GRUYTER GMBH}, type = {Article}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {

The continuous flow nitration of acetophenone followed by reduction of the meta isomer has been demonstrated using simple tubular reactors. Because of ease of separation of the desired isomer from the first step, both steps are made continuous, but separately. The continuous flow nitration was carried out in a safe manner in a shorter reaction time than the conventional approach. The choice of micromixer was seen to affect the performance of the nitration reaction. The effect of different parameters on the yield of the desired product was studied. The reduction step with sodium sulfide was found to be economical and could be carried out efficiently at 70 degrees C using sodium sulfide in ethanol, using a silicone tube. Both steps were demonstrated for several hours, yielding a sufficiently large quantity (similar to 100 g) of m-aminoacetophenone at lab scale in a single day using simple tubular reactors.

}, keywords = {acetophenone, continuous flow synthesis, microreactor, nitration, reduction}, issn = {2191-9542}, doi = {10.1515/gps-2014-0043}, author = {Tibhe, Jagdish and Sharma, Yachita and Joshi, Ramesh A. and Joshi, Rohini R. and Kulkarni, Amol A.} } @article { ISI:000337637100017, title = {Disordered mesoporous TiO2-xNx+Nano-Au: an electronically integrated nanocomposite for solar H-2 generation}, journal = {ChemCatChem}, volume = {6}, number = {2}, year = {2014}, month = {FEB}, pages = {522-530}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We report on H-2 generation by photocatalysis driven by simulated white light by electronically integrated Au nanoparticles with multifunctional, disordered mesoporous TiO2-xNx (Au-NT) nanocomposites. Solar H-2 generation (1.5 mmolh(-1)g(-1)) from aqueous methanol has been demonstrated with Au-NT nanocomposites. The water splitting activity of Au-NT is attributed to the 21.1 ps lifetime of charge carriers observed from fluorescence lifetime measurements, which indicates a high electron-injection efficiency from nano-Au to the conduction band of TiO2, and hence charge separation as well as utilization. This is directly supported by the observation of a high photoluminescence emission intensity with Au-NT that highlights the energy transfer from nano-Au to TiO2. The p-n heterojunction observed between the Au (001) and TiO2 (101) facets helps to-wards the higher charge separation and their utilization. A low mesochannel depth (\< 10 nm) associated with disordered mesoporous TiO2-xNx helps the charge carriers to move towards the surface for redox reactions and hence charge utilization. Visible-light absorption, as a result of the surface plasmon resonance of nano-Au, is observed in a broad range between 500 and 750 nm, which helps in harvesting visible-light photons. Finally, electronically integrated nano-Au with TiO2-xNx in Au-NT is evident from Raman and X-ray photoelectron spectroscopy measurements. All of these factors help to achieve a high rate of H-2 production. It is likely that a higher rate of H-2 production than that reported here is feasible by strategically locating Au clusters in porous TiO2 to generate hot spots through electronic integration.

}, keywords = {heterogeneous catalysis, Hydrogen, mesoporous materials, photochemistry, water splitting}, issn = {1867-3880}, doi = {10.1002/cctc.201300715}, author = {Sivaranjani, Kumarsrinivasan and Rajaambal, Sivaraman and Das, Tanmay and Roy, Kanak and Bhattacharyya, Somnath and Gopinath, Chinnakonda S.} } @article { ISI:000337101800021, title = {Dissolvable metallohydrogels for controlled release: evidence of a kinetic supramolecular gel phase intermediate}, journal = {Chemical Communications}, volume = {50}, number = {53}, year = {2014}, month = {MAY}, pages = {7032-7035}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two metallohydrogels based on an amino acid-based ligand and Zn(II) salts were synthesized. These hydrogels show an uncommon, reversible, time-dependent transformation from the opaque to transparent state. These hydrogels also exhibit gradual dissolution in water (pH \<= 7) over time. A water-soluble stimulant, caffeine, could be in situ loaded into the hydrogels and slowly released during dissolution.

}, issn = {1359-7345}, doi = {10.1039/c4cc02771j}, author = {Saha, Subhadeep and Bachl, Jurgen and Kundu, Tanay and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000339090400033, title = {Distinctive PdCl2-mediated transformation of Fe-based metallogels into metal-organic frameworks}, journal = {Crystal Growth \& Design}, volume = {14}, number = {7}, year = {2014}, month = {JUL}, pages = {3434-3437}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Simple, efficient conversion of viable Fe3+-based metallogels into Fe-metal-organic frameworks (MOFs) has been achieved by PdCl2-mediated gel degradation. The metallogels and the resulting MOFs have been characterized, and a probable mechanism for the event has been elucidated.

}, issn = {1528-7483}, doi = {10.1021/cg500368q}, author = {Aiyappa, Harshitha Barike and Saha, Subhadeep and Garai, Bikash and Thote, Jayshri and Kurungot, Sreekumar and Banerjee, Rahul} } @article { ISI:000348622000027, title = {Domibacillus enclensis sp nov., isolated from marine sediment, and emended description of the genus domibacillus}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {64}, number = {12}, year = {2014}, month = {DEC}, pages = {4098-4102}, publisher = {SOC GENERAL MICROBIOLOGY}, type = {Article}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A novel red-pigmented bacterial strain, designated NIO-1016(T), was isolated from a sediment sample from Chorao Island, India and was investigated by a polyphasic taxonomic approach. The strain was Gram-reaction-positive, strictly aerobic, motile and catalase-positive and produced spherical to slightly ellipsoidal endospores with subterminal position on swollen sporangia. The genomic DNA G+C content was 46.9 molok. The major fatty acids were anteiso-C-15:0, anteiso-C-17:0, iSO-C-15:0 and C-16:0. The predominant quinones were MK-6 (89.3 \%) and MK-7 (8.7 \%). The polar lipids consisted of diphosphatidylglycerol, phosphatidylglycerol, and an unidentified phospholipid. meso-Diaminopimelic acid (type My) was present in the cell-wall peptidoglycan and the major whole-cell sugars were glucose and ribose. The closest phylogenetic neighbours were identified as Domibacillus robiginosus DSM 25058(T) (98.0\% similarity) and Domibacillus indicus DSM 28032(T) (97.2\% similarity), other species of the genus Bacillus displayed below 96\% similarity. Phylogenetic, physiological, biochemical and morphological differences between strain NI0-1016(T) and its closest neighbours indicate that this strain represents a novel species in the genus Domibacillus in the family Bacillaceae for which the name Domibacillus enclensis sp. nov. is proposed with the type species N10-1016(T) (=DSM 25145(T)=NCIM 5462(T)=CCTCC AB 2011121(T)).

}, issn = {1466-5026}, doi = {10.1099/s.0.068924-0}, author = {Sonalkar, Vidya V. and Mawlankar, Rahul R. and Krishnamurthi, Srinivasan and Tang, Shan-Kun and Dastager, Syed Gulam} } @article { ISI:000341023400022, title = {Easy access to alpha-aryl substituted gamma-ketophosphonates: lewis acid mediated reactions of 1,3-diketones with alpha-hydroxyphosphonates and tandem regioselective C-C bond cleavage}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {36}, year = {2014}, month = {JUL}, pages = {7140-7149}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A range of alpha-aryl substituted gamma-ketophosphonates is synthesised by Lewis acid mediated reactions of 1,3-diketones and easily accessible, inexpensive benzylic alpha-hydroxyphosphonates in an operationally simple method under solvent-free conditions without exclusion of air/moisture. A regioselective C-C bond cleavage for 1,3-diketones in a tandem fashion has also been demonstrated. Synthesis of a gamma-ketophosphonate with phenol functionality at the a-position (structural analogue of raspberry ketone, a natural product) has also been presented.

}, issn = {1477-0520}, doi = {10.1039/c4ob01091d}, author = {Pallikonda, Gangaram and Chakravarty, Manab and Sahoo, Manoj Kumar} } @article { ISI:000334895800014, title = {Effect of method of preparation on hydrodesulphurization activity of Co- or Ni-promoted MoS2/SBA-15 catalysts}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {2, SI}, year = {2014}, note = {21st National Symposium on Catalysis (CATSYMP), CSIR Indian Inst Chem Technol, Hyderabad, INDIA, FEB 11-13, 2013}, month = {MAR}, pages = {437-444}, publisher = {Catalysis Soc India}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Ordered mesoporous material SBA-15 was synthesized and used as a support for the preparation of molybdenum sulphide catalysts through precipitation from homogeneous solution (PFHS) technique with the Mo content varying from 2-12 wt\%. The prepared catalysts were evaluated for thiophene hydrodesulphurizadon catalytic activities at 400 degrees C. Catalysts prepared through PFHS method resulted in highly dispersed MoS2 catalysts, which were inferred from powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), low temperature oxygen chemisorptions (LTOC) and BET surface area analysis. The relationship between XPS intensity ratio, oxygen chemisorption and catalytic activities is discussed in terms of highly dispersed nano particles of MoS2 and its consequence in accommodating more promoted atoms at the edge sites.

}, keywords = {HDS, MoS2, PFHS method, promotional effects, SBA-15}, issn = {0974-3626}, author = {Garg, Shelu and Soni, Kapil and Prasad, V. V. D. N. and Kumar, Manoj and Bhaskar, Thallada and Gupta, J. K. and Dhar, G. Murali and Gopinath, Chinnakonda S.} } @article { ISI:000345479000014, title = {Effect of preparation parameters on characterization and activity of Co3O4 catalyst in liquid phase oxidation of lignin model substrates}, journal = {Applied Catalysis A-General}, volume = {487}, year = {2014}, month = {OCT}, pages = {130-138}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The nano structured spinel cobalt oxide (Co3O4) was prepared via simple co-precipitation method and its catalytic activity was evaluated for the liquid phase aerobic oxidation of lignin sub structure compounds such as veratryl alcohol. Catalyst preparation parameters influenced its morphology eventually affecting its oxidation activity. Thus, nano rod shaped CO3O4 catalyst showed 75\% and 38\% conversion of veratryl alcohol with complete selectivity to veratryl aldehyde in toluene and water, respectively, under base free condition. The influence of reaction conditions, such as temperature, oxygen pressure and catalyst loading was studied to obtain the optimum product yield and selectivity to the desired product. Furthermore, oxidation of various sub-structures of lignin model compounds was also studied over the same catalyst which was found to be in the following order: secondary alcohol \>di-substituted \> tri-substituted \> monosubstituted \> non-substitution. The stability of the catalyst was confirmed by its successful recycle for three times. (c) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Coniferyl alcohol, Nano Co3O4, Sinapyl alcohol, TPR, Veratryl alcohol}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.08.023}, author = {Mate, Vivek R. and Jha, Ajay and Joshi, U. D. and Patil, K. R. and Shirai, M. and Rode, C. V.} } @article { ISI:000347498500064, title = {Effect of pt incorporation in LaBO3 (B = Mn, Fe, Co) perovskites on water gas shift activity}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {395}, year = {2014}, month = {DEC}, pages = {506-513}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Pt incorporated perovskites LaBO3 (B = Mn, Co, Fe) were synthesised and characterised to understand the charge state of Pt in these materials. At the temperature range used in this study, Pt could be stabilised in ionic form in Co and Fe perovskites but not in LaMnO3. Consequent to incorporation of Pt in +2 and +4 oxidation states, reduction in B site ion charge state occurred, enhancing oxygen vacancies. Pt doped Co and Fe perovskites showed high activity for CO conversion under water gas shift conditions but the activity characteristics were found to be different for the two catalysts; LaCo1-xPtxO3-delta showed methanation whereas the Fe counterpart was active in water gas shift reaction. It was also observed that methanation could be decreased and water gas shift enhanced in case of Pt doped Co perovskite when compared to Pt impregnated perovskite or mixed oxides. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Methanation, Perovskites, Pt doping, Water gas shift reaction, XANES}, issn = {1381-1169}, doi = {10.1016/j.molcata.2014.09.015}, author = {Rajesh, Thattarathody and Upadhyay, Anuj and Sinha, Anil K. and Deb, Sudip K. and Devi, R. Nandini} } @article { ISI:000335620500016, title = {Effect of self-assembly on triiodide diffusion in water based polymer gel electrolytes: an application in dye solar cell}, journal = {Journal of Colloid and Interface Science}, volume = {425}, year = {2014}, month = {JUL}, pages = {110-117}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, type = {Article}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The preparation of ordered polymer gels from the amphiphilic block copolymers, Pluronic (R) F77, P123 and polyethylene glycol in the presence of ionic liquid, iodine and organic additives is presented. At 35\%(w/w) concentration these copolymers (F77 and P123) self-assembled into cubic liquid crystalline phase in aqueous solution and characterized by using SAXS and AFM measurements. The effects of micellar aggregation formed by polymers on the ionic transport and triiodide diffusion have been studied by electro-chemistry and SANS experiments. The ionic migration or triiodide diffusion through these polymer gels is found to be affected by the PEO/PPO content in the polymer backbone. These gels were successfully employed as an electrolyte in a dye sensitized solar cell. A remarkable solar to electricity conversion efficiency and good stability was obtained using Pluronic (R) F77 based gel, which is attributed to its thermoreversible sol to gel transition. (C) 2014 Elsevier Inc. All rights reserved.

}, keywords = {Amphiphilic block copolymer, Dye solar cell, Micellar nanochannels, SANS, SAXS, Self-assembly, Water based gel electrolytes}, issn = {0021-9797}, doi = {10.1016/j.jcis.2014.03.047}, author = {Soni, S. S. and Fadadu, K. B. and Vekariya, R. L. and Debgupta, Joyashish and Patel, K. D. and Gibaud, A. and Aswal, Vinod K.} } @article { ISI:000340306500036, title = {Effects of method of preparation on catalytic activity of Co-Zn double-metal cyanide catalysts for copolymerization of CO2 and epoxide}, journal = {Applied Catalysis A-General}, volume = {482}, year = {2014}, month = {JUL}, pages = {300-308}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Co-Zn double-metal cyanide (DMC) complexes are well-known catalysts for ring-opening polymerization of epoxides and co-polymerization of CO2 and epoxides. This work provides an insight on structure-activity relationship of DMC for poly(cyclohexene carbonate) synthesis. Seven samples of DMC were prepared by different methods and mode of reagent addition. Highly active catalyst could be synthesized even without using a co-complexing agent. CO2 adsorption studies revealed that higher the guest-host interaction higher would be the catalytic activity. High density and strength of Lewis acid sites, moderate crystallinity, low crystal symmetry (rhombohedral/monoclinic), Cl- ions and coordinated tert.-butanol (complexing agent) control the catalytic activity for polycarbonates. Chloride in the structure avoided induction period by increasing acidity of the catalyst and thereby, improving the guest-host interactions. Polycarbonates with CO2 incorporation as high as 86 mol\%, average molecular weight of 20900 and polydispersity index of 1.8 were prepared at complete conversion of cyclohexene oxide. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Carbon dioxide, CO2 utilization, Copolymerization of CO2 and cyclohexene oxide, Double-metal cyanide, Polycarbonate, Structure-activity relationship}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.06.007}, author = {Sebastian, Joby and Srinivas, Darbha} } @article { ISI:000341552000026, title = {Efficient synthesis of O-aryloxime ethers by copper fiuorapatite catalyzed cross-coupling of aryloximes with arylboronic acids}, journal = {Tetrahedron Letters}, volume = {55}, number = {38}, year = {2014}, month = {SEP}, pages = {5327-5332}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A novel, highly efficient, and mild protocol has been developed for the synthesis of O-aryloxime ethers in good to excellent yields at ambient reaction conditions. This is the first report in which =N-O-Ar linkage was achieved with ecofriendly, recyclable, heterogeneous copper fluorapatite (CuFAP) catalyst via C-O cross coupling of aryloxime with arylboronic acid in the presence of Cs2CO3 as base and methanol as solvent. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Arylboronic acid, Aryloxime, Copper fluorapatite, O-Aryloxime ethers}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.07.056}, author = {Mulla, Shafeek Abdul Rashid and Chavan, Santosh S. and Inamdar, Suleman M. and Pathari, Mohsinkhan Y. and Shaikh, Taufeekaslam M. Y.} } @article { ISI:000340696200021, title = {Efforts towards the synthesis of microsporin B: ready access to both the enantiomers of the key amino acid fragment}, journal = {Tetrahedron Letters}, volume = {55}, number = {34}, year = {2014}, month = {AUG}, pages = {4777-4779}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Both the isomers methyl-(2S,8R)-2-((tert-butoxycarbonyl)amino)-8-hydroxydecanoate and methyl-(2S,8S)-2-((tert-butoxycarbonyl)amino)-8-hydroxydecanoate of an unusual amino acid residue and the key fragment of microsporin B are prepared. The key steps include cross metathesis and enzymatic kinetic resolution. In addition, a linear tetrapeptide with desired components towards total synthesis is also reported. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Cross metathesis, Enzymatic resolution, HDAC inhibitor, Microsporin, Tetrapeptide}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.06.093}, author = {Swaroop, Pandrangi Siva and Tripathy, Sibanarayan and Jachak, Gorakhnath R. and Reddy, D. Srinivasa} } @article { ISI:000339861500096, title = {Electrochemical preparation of vertically aligned, hollow CdSe nanotubes and their p-n junction hybrids with electrodeposited Cu2O}, journal = {Nanoscale}, volume = {6}, number = {15}, year = {2014}, month = {AUG}, pages = {9148-9156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Vertically aligned, hollow nanotubes of CdSe are grown on fluorine doped tin oxide (FTO) coated glass substrates by ZnO nanowire template-assisted electrodeposition technique, followed by selective removal of the ZnO core using NH4OH. A detailed mechanism of nucleation and anisotropic growth kinetics of nanotubes have been studied by a combination of characterization tools such as chronoamperometry, SEM and TEM. Interestingly, {\textquoteleft}{\textquoteleft}as grown{\textquoteright}{\textquoteright} CdSe nanotubes (CdSe NTs) on FTO coated glass plates behave as n-type semiconductors exhibiting an excellent photo-response (with a generated photocurrent density value of similar to 470 mu A cm(-2)) white in contact with p-type Cu2O (p-type semiconductor, grown separately on FTO plates) because of the formation of a n-p heterojunction (type II). The observed photoresponse is 3 times higher than that of a similar device prepared with electrodeposited CdSe films (not nanotubes) and Cu2P on FTO. This has been attributed to the hollow 1-D nature of CdSe NTs, which provides enhanced inner and outer surface areas for better absorption of light and also assists faster transport of photogenerated charge carriers.

}, issn = {2040-3364}, doi = {10.1039/c3nr06917f}, author = {Debgupta, Joyashish and Devarapalli, Rami Reddy and Rahman, Shakeelur and Shelke, Manjusha V. and Pillai, Vijayamohanan K.} } @article { ISI:000344989500005, title = {Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {46}, year = {2014}, month = {OCT}, pages = {25247-25250}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The red-shifts in the acetylenic C-H stretching vibration of C-H center dot center dot center dot X (X = O, N) hydrogen-bonded complexes increase with an increase in the basicity of the Lewis base. Analysis of various components of stabilization energy suggests that the observed red-shifts are correlated with the electrostatic component of the stabilization energy, while the dispersion modulates the stabilization energy.

}, issn = {1463-9076}, doi = {10.1039/c4cp04617j}, author = {Dey, Arghya and Mondal, Sohidul Islam and Sen, Saumik and Ghosh, Debashree and Patwari, G. Naresh} } @article { ISI:000344838700002, title = {Elements of managing transfer of technology from laboratory to industry: technology transfer management (TTM)}, journal = {Journal of Scientific \& Industrial Research}, volume = {73}, number = {11}, year = {2014}, month = {NOV}, pages = {704-710}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

This research paper throws light on problems faced by small, medium and large scale. chemical industries in managing the transfer of technology from laboratory to industry. There are several reasons that may increase cost and time overruns and thus causes inordinate delay in completing transfer of technology in both private and public sector projects. This paper also suggests solutions to eliminate the problems and underlines the importance of involving local and national R \& D institutes in effectively {\textquoteleft}{\textquoteleft}Managing Transfer of Chemical Technology{\textquoteright}{\textquoteright} into commercial practice. This communication presents {\textquoteleft}{\textquoteleft}a13 steps model{\textquoteright}{\textquoteright} developed by the researcher for efficient, smooth and effective transfer of technology. The findings have been duly supported by data interpretations, with appropriate examples of technology transfer and literature published. The primary data collection technique used is structured questionnaire as well as in-depth interviews of entrepreneurs, heads of R and D units and staff involved in technology transfer in chemical industries in and around Pane. The facts are also supported by the secondary analysis of literature published in related area. The basic objective of this communication is to communicate Technology Transfer Process Model (TTP) for effective commercialization of technology.

}, keywords = {Industrial Technology Commercialization, Multi Disciplinary Man Power Team (MDMPT), Technology Management, Technology Transfer, Technology Transfer Offices (TTO), Technology Transfer Process Model (TTP)}, issn = {0022-4456}, author = {Saraf, C. U.} } @article { ISI:000341152600073, title = {Enhanced field emission properties of doped graphene nanosheets with layered SnS2}, journal = {Applied Physics Letters}, volume = {105}, number = {4}, year = {2014}, month = {JUL}, pages = {043109}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

We report here our experimental investigations on p-doped graphene using tin sulfide (SnS2), which shows enhanced field emission properties. The turn on field required to draw an emission current density of 1 mu A/cm(2) is significantly low (almost half the value) for the SnS2/reduced graphene oxide (RGO) nanocomposite (2.65 V/mu m) compared to pristine SnS2 (4.8 V/mu m) nanosheets. The field enhancement factor beta (similar to 3200 for the SnS2 and similar to 3700 for SnS2/RGO composite) was calculated from Fowler-Nordheim (F-N) plots, which indicates that the emission is from the nanometric geometry of the emitter. The field emission current versus time plot shows overall good emission stability for the SnS2/RGO emitter. The magnitude of work function of SnS2 and a SnS2/graphene composite has been calculated from first principles density functional theory (DFT) and is found to be 6.89 eV and 5.42 eV, respectively. The DFT calculations clearly reveal that the enhanced field emission properties of SnS2/RGO are due to a substantial lowering of the work function of SnS2 when supported by graphene, which is in response to p-type doping of graphene. (C) 2014 AIP Publishing LLC.

}, issn = {0003-6951}, doi = {10.1063/1.4892001}, author = {Rout, Chandra Sekhar and Joshi, Padmashree D. and Kashid, Ranjit V. and Joag, Dilip S. and More, Mahendra A. and Simbeck, Adam J. and Washington, Morris and Nayak, Saroj K. and Late, Dattatray J.} } @article { ISI:000341064800048, title = {Enhanced photoluminescence and photoactivity of plasmon sensitized nSiNWs/TiO2 heterostructures}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {33}, year = {2014}, month = {SEP}, pages = {17786-17791}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A light sensitive wide band gap radial heterojunction between TiO2 and nSiNWs sensitized by gold nanoparticles is reported. The surface plasmon of AuNPs influences the optical and photocurrent properties of the heterojunction considerably. Improvement in the band gap emission of TiO2 has been found at the expense of defect radiation. Excitation of AuNPs deposited on nSiNWs/TiO2 by light irradiation shows a wavelength-dependent photocurrent due to the increased photoactivity of the heterojunction.

}, issn = {1463-9076}, doi = {10.1039/c4cp01497a}, author = {Yenchalwar, Sandeep G. and Azhagan, Muniraj Vedi Kuyil and Shelke, Manjusha V.} } @conference { ISI:000352795700066, title = {Enhancement in the field emission behavior of graphene in N-2/O-2 high vacuum ambience}, booktitle = {2014 27th International Vacuum Nanoelectronics Conference (IVNC) }, series = {International Vacuum Nanoelectronics Conference}, year = {2014}, note = {27th International Vacuum Nanoelectronics Conference (IVNC), Engelberg, SWITZERLAND, JUL 06-10, 2014}, month = {JUL}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, organization = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {Engelberg, Switzerland}, abstract = {

Herein we report, pressure dependent field emission (FE) behaviour of a few-layer graphene emitter. Gas dependent FE properties have been investigated in ultra high vacuum (UHV), as well as in N-2 and O-2 ambience at base pressure similar to 1x10(-6) torr. Interestingly, the graphene emitter when operated in N-2/O-2 ambience exhibits lower turn-on field and higher emission current density, as compared to the UHV conditions. The emission current stability investigated at preset value of similar to 1 mu A over the period of more than 2 hrs is found better in the N2 ambience and is characterized by fewer fluctuations, in contrast to the behaviour in the O-2 ambience. The observed enhanced electron emission behavior in N-2/O-2 ambience is attributed to modulation of the work function of graphene emitter.

}, keywords = {graphene, Pressure Dependent Field Emission}, isbn = {978-1-4799-5306-6}, issn = {2164-2370}, doi = {10.1109/IVNC.2014.6894791}, author = {Suryawanshi, S. R. and Kolhe, Pankaj S. and Gavhane, D. S. and Patil, S. S. and Chavan, P. G. and More, Mahendra A. and Late, Dattatray J.}, editor = {Tsujino, S. and Gobrecht, J. and Paraliev, M. and Braun, H. H. and Groening, O. and Feurer, T.} } @article { ISI:000343018200079, title = {Enhancing cubosome functionality by coating with a single layer of poly-epsilon-lysine}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {19}, year = {2014}, month = {OCT}, pages = {17126-17133}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report the preparation and characterization of monoolein cubosomes that can be easily surface modified through adsorption of a single layer of cationic poly-epsilon-lysine. Poly-epsilon-lysine coated cubosomes show remarkable stability in serum solution, are nontoxic and, are readily internalized by HeLa cells. The poly-epsilon-lysine coating provides chemical handles for further bioconjugation of the cubosome surface. We also demonstrate that the initial release rate of a hydrophilic drug, Naproxen sodium, from the cubosomes is retarded with just a single layer of polymer. Interestingly, cubosomes loaded with Naproxen sodium, recently shown to have anticancer properties, cause more apoptosis in HeLa cells when compared to free unencapsulated drug.

}, keywords = {bioconjugation, cubosomes, drug delivery vehicle, dual loading, theranostics}, issn = {1944-8244}, doi = {10.1021/am5047872}, author = {Deshpande, Sonal and Venugopal, Edakkal and Ramagiri, Shobha and Bellare, Jayesh R. and Kumaraswamy, Guruswamy and Singh, Neetu} } @article { ISI:000327771500117, title = {Evaluation of n-type ternary metal oxide NiMn2O4 nanomaterial for humidity sensing}, journal = {Sensors and Actuators B-Chemical}, volume = {191}, year = {2014}, month = {FEB}, pages = {837-843}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Synthesis of mono-dispersed oleic acid (OA) capped NiMn2O4 (NMO) nanoparticles and their use for humidity sensing is reported. Oleic acid capped NMO (NMO-cOA) nanoparticles are synthesized from nickel oleate and manganese oleate complex. NiMn2O4 is obtained by removing oleic acid capping at 500 degrees C in air. X-ray diffraction analysis shows formation of pure NiMn2O4 phase which is also confirmed by HRTEM-SAED analysis. The TEM analysis also shows that the nanoparticles are nearly mono-dispersed. Doctor bladed films of NMO nanoparticles are seen to exhibit excellent humidity sensing property. The resistivity is seen to change by two orders with humidity change from 11\% RH to 92\% RH with fairly good linearity over the entire range. The response and recovery times are also fast. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Humidity, Impedance, Nanoparticles, NiMn2O4, Oleic acid, Sensor}, issn = {0925-4005}, doi = {10.1016/j.snb.2013.10.071}, author = {Gawli, Yogesh and Badadhe, Satish S. and Basu, Aniruddha and Guin, Debanjan and Shelke, Manjusha V. and Ogale, Satishchandra} } @article { ISI:000340292800014, title = {Extracellular biosynthesis of metal sulfide nanoparticles using the fungus fusarium oxysporum}, journal = {Current Nanoscience}, volume = {10}, number = {4}, year = {2014}, month = {JUL}, pages = {588-595}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

The development of reliable, eco-friendly processes for the synthesis of nanomaterials is an important aspect of nanotechnology. One approach that shows immense potential is based on the biosynthesis of nanoparticles using microorganisms such as bacteria. In this report, we demonstrate the extracellular biosynthesis and complete characterization of metal sulfide (PbS, ZnS, MnS and NiS) nanoparticles using fungus, Fusarium oxysporum. We observed that the exposure of aqueous solution of 1 mM metal sulfate to fungus Fusarium oxysporum resulted in the formation of highly stable technologically important metal sulfide semiconductor nanoparticles. Fusarium oxysporum synthesizes lead sulfide and zinc sulfide nanoparticles of fractal type structure whereas manganese sulfide and nickel sulfide nanoparticles are of variable polydispersed morphology. The variable morphology may be due to the dissimilar interaction of metal sulfide nanoparticles with capping proteins secreted by the fungus in solution. The nanoparticles solution is found to be extremely stable with little evidence of aggregation even after a month of storage. The long term stability of the nanoparticles is due to the proteins secreted by fungus in the nanoparticle solution which bind to the surface of the nanoparticles and thus prevent aggregation.

}, keywords = {Biosynthesis, enzymes, fungi, metal sulfide, Nanoparticles}, issn = {1573-4137}, author = {Senapati, Satyajyoti and Syed, Asad and Khan, Shadab and Pasricha, Renu and Khan, Mohammad Islam and Kumar, Rajiv and Ahmad, Absar} } @article { ISI:000341065800011, title = {Facile method for the synthesis of Co-core Au-shell nanohybrid}, journal = {New Journal Of Chemistry}, volume = {38}, number = {9}, year = {2014}, month = {SEP}, pages = {4107-4114}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Heterostructured Co-Au core-shell nanoparticles have been synthesized by reducing AuCl4- ions on cobalt nanoparticles after a minor but effective modification of cobalt surface by an amine. The core shell morphology is emphatically confirmed by thorough investigation through UV-Vis spectroscopy, X-ray photoelectron spectroscopy (XPS), and transmission electron microscopic analysis (TEM). The chemical composition and topography were determined using STEM-HAADF analysis and EFTEM imaging. Fourier transform infrared (FTIR) spectroscopy confirms the surface modification of Co nanoparticles and the interactions involved between the ligands and the core and shell metals at various steps of the synthetic process. The magnetic properties confirm the material to be superparamagnetic in nature.

}, issn = {1144-0546}, doi = {10.1039/c4nj00733f}, author = {Sardar, Debasmita and Neogi, S. K. and Bandyopadhyay, Sanjoy and Satpati, Biswarup and Jain, Ruchi and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000329040500055, title = {Facile room temperature methods for growing ultra thin films of graphene nanosheets, nanoparticulate tin oxide and preliminary assessment of graphene-tin oxide stacked layered composite structure for supercapacitor application}, journal = {RSC Advances}, volume = {4}, number = {8}, year = {2014}, month = {DEC}, pages = {4094-4104}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a novel, facile, single step process for growing highly uniform few layer graphene nanosheet (FLGNS) thin films over a micrometer scale, formed at the liquid-air interface. The process is further extended to form monolayer graphene nanosheets (GNS). The films are characterized by Raman spectroscopy, Atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS). The results indicate that very few chemical and/or physical defects are introduced during formation of films. Further, an innovative single step method to form tin oxide (SnO2) films at the liquid-air interface is presented. A special feature of the method is that entire process is completed at room temperature. The film can be suitably transferred to the desired substrates by Blodgett technique. Characterization by various techniques such as XPS, TEM and energy dispersive spectroscopy (EDS) shows that the films are made up of uniform spherical, crystalline SnO2 particles with the size in the range of 3-5 nm. Layer-by-layer (LbL) techniques can be exploited to stack graphene and SnO2 films alternately, in a desired sequence, forming a stacked composite structure. The composite structure is subjected to characterization by XPS, FE-SEM, TEM and EDS. The results show that the structure consists of a stack of predetermined thickness consisting of alternate layers of both the components. Such a structure is subjected to cyclic voltammetry (CV) studies. The results suggest LbL grown SnO2-GNS stacked composites exhibit better electrochemical performance in terms of specific capacitance and cycling ability which are primary requirements for the supercapacitor application. The coating techniques of few layer graphene nanosheets, SnO2 film and their stacked composite film are simple and inexpensive. A suitable explanation of the formation of both GNS and SnO2 films is discussed. The proposed methods extend the scope for production of high quality and defect free graphene nanosheets (GNS) and other components for forming LbL stacking of composite films.

}, issn = {2046-2069}, doi = {10.1039/c3ra46576d}, author = {Patil, Sagar and Patil, Virendra and Sathaye, Shivaram and Patil, Kashinath} } @article { ISI:000337507100014, title = {Facile room temperature synthesis of ZnO nanoflower thin films grown at a solid-liquid interface}, journal = {Journal of Materials Science}, volume = {49}, number = {17}, year = {2014}, month = {SEP}, pages = {5945-5954}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Hierarchical ZnO films consisting of nanoflower particulates are successfully grown by a solid-liquid interface reaction technique at room temperature without additives like surfactants, capping agent, or complexing agent. The structural, morphological, and photocatalytic properties of these films are studied using scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and UV-Vis spectroscopy. The nucleation, growth processes and hence the resulting morphology of the end product can be regulated by changing the concentration of LiOH and the time of reaction. SEM throws light on the chronology of the flower formation by studying the intermediate morphology. Electron microscopy results indicated that these ZnO nanostructures self-assembled to produce flower-like nanostructures. The highest photocatalytic efficiency was observed for the films prepared at the concentration of LiOH 0.5 mg/mL in ethanol at 24 h. On the basis of the results, a plausible growth mechanism for the formation of flower-like ZnO nanostructures is discussed.

}, issn = {0022-2461}, doi = {10.1007/s10853-014-8313-1}, author = {Jadhav, Aarti H. and Patil, Sagar H. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article {43348, title = {Factors influence on growth, don and niv production by two species of fusarium isolated from finger millets [eleusine coracana l.]}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {6}, year = {2014}, month = {DEC}, pages = {312-317}, abstract = {ABSTRACT Objective: The present investigations (In vitro) on an influence of different synthetic and food based [flour] media, pH, temperature and microbial nutrients on growth, Deoxynivalenol [DON] and Nivalenol [NIV] production by Fusarium aethiopicum and F. culmorum was carried out. Methods: Fusarium species associated with the finger millets were isolated and identified phenotypically and further confirmed by molecular methods by Polymerase Chain Reaction [PCR]. Monosporic seven day old F. aethiopicum and F. culmorum were grown in CYA broth and incubated at 27{\textpm}2{\textdegree}C on rotary shaker for 21 days at 120 rpm. At the end of 21 day incubation period, cultures were harvested for determination of fungal biomass. The resultant culture filtrates were extracted twice with ethyl acetate and concentrated to get and final concentration of 1 ml in methanol and employed for RP-HPLC analysis for detection of DON and NIV production. Results: Finger millets flour medium induced the highest amount of mycelial growth, DON and NIV production by F. aethiopicum. However, F. culmorum achieved highest amount of hyphal growth, DON and NIV production under the influence of yeast extract sucrose [YES] medium. Maize flour medium, rice flour medium and sorghum flour medium was next preffered substrates. Optimum pH of 5.5-6.5 and temperature of 20-35{\textdegree}C for growth, DON and NIV production was observed. Both the species of Fusarium failed to grow and produce toxins at pH 2.5-3.5 and temperature of 40{\textdegree}C. Yeast extract was most favorable for maximum DON and NIV production, which increased with an increase in its concentration. On the other hand, malt extract and beef extract induced good growth and mycotoxin production at comparatively higher concentration in both the species of Fusarium under study. Conclusion: Comparatively food based media were the better substrates than synthetic media for both growth and DOIN and NIV production by two species of Fusarium under investigation. A positive correlation coefficient [r] on growth [0.458], DON [0.744] and NIV [0.882] was recorded among the media and both the species of Fusarium. Keywords: Finger millets, F. aethiopicum, F. culmorum, Synthetic media, pH, Temperature, Microbial nutrients, DON, NIV, HPLC}, author = {Vankudoth, Koteswara Rao and Penugonda, Shilpa and Sivadevuni, Girisham and Reddy, S. M.} } @article {46390, title = {Ferromagnetic tetranuclear Cu(II) complex: catecholase and phenoxazinone synthase activities}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C926}, type = {Meeting Abstract}, keywords = {catalysis, Ferromagnetic, Tetranuclear copper}, issn = {2053-2733}, author = {Mitra, Merry and Kundu, Tanay and Kaur, Gurpreet and Sharma, Gyaneswar and Choudhury, Angshuman Roy and Singh, Yogesh and Ghosh, Rajarshi} } @article { ISI:000330953700003, title = {Fictibacillus enclensis sp nov., isolated from marine sediment}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {105}, number = {3}, year = {2014}, month = {MAR}, pages = {461-469}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A novel Gram-positive strain, designated NIO-1003(T), was isolated from a marine sediment sample collected from the Chorao Island, Goa Provence, India. Strain NIO-1003(T) was found to be strictly aerobic, motile, endospore-forming rods. Phylogenetic analysis based on 16S rRNA gene sequences indicated that strain NIO-1003(T) belongs to the genus Fictibacillus and to be most closely related to Fictibacillus rigui KCTC 13278(T), Fictibacillus solisalsi KCTC 13181(T) and Fictibacillus barbaricus DSM 14730(T) with 98.2, 98.0 and 97.2 \% similarity and 25, 28, 39 nucleotide differences respectively. Strain NIO-1003(T) was characterized by having cell-wall peptidoglycan based on meso-diaminopimelic acid and MK-7 as the predominant menaquinone. The polar lipid profile exhibited the major compounds diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine. In addition, minor amounts of an aminophospholipid were detected. The major fatty acids were identified as ai-C-15:0, iso-C-15:0, ai-C-17:0 and C-16:0, supporting the grouping of strain NIO-1003(T) into the family Bacillaceae. The DNA G+C content of strain NIO-1003(T) was determined to be 42.6 mol\%. On the basis of phenotypic properties, phylogeny and DNA-DNA hybridisation analysis, strain NIO-1003(T) is considered to represent a novel species of the genus Fictibacillus for which the name Fictibacillus enclensis sp. nov. is proposed. The type strain is NIO-1003(T) (= NCIM 5458(T) = DSM 25142(T)).

}, keywords = {Chorao Island, Fictibacillus sp., Polyphasic taxonomy}, issn = {0003-6072}, doi = {10.1007/s10482-013-0097-9}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Srinivasan, Krishnamurthi and Tang, Shan-Kun and Lee, Jae-Chan and Ramana, V. Venkata and Shouche, Yogesh S.} } @article { ISI:000340267600082, title = {Flexible microwave absorbers based on barium hexaferrite, carbon black, and nitrile rubber for 2-12 GHz applications}, journal = {Journal of Applied Physics}, volume = {116}, number = {2}, year = {2014}, month = {JUL}, pages = {024902}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Flexile single layer electromagnetic wave absorbers were designed by incorporating appropriate amounts of carbon black in a nitrile butadiene rubber matrix along with an optimized amount of magnetic counterpart, namely, barium hexaferrite for applications in S, C, and X-bands. Effective dielectric permittivity and magnetic permeability were measured using cavity perturbation method in the frequency range of 2-12 GHz. The microwave absorbing characteristics of the composites were studied in the S, C, and X-bands employing a model in which an electromagnetic wave is incident normally on a metal terminated single layer. Reflection loss exceeding -20 dB is obtained for all the samples in a wide frequency range of 2-12 GHz when an appropriate absorber thickness between 5 and 9 mm is chosen. The impact of carbon black is clearly observed in the optimized composites on the mechanical strength, thickness, band width of absorption, dielectric properties, and absorptivity. (C) 2014 AIP Publishing LLC.

}, issn = {0021-8979}, doi = {10.1063/1.4886382}, author = {Vinayasree, S. and Soloman, M. A. and Sunny, Vijutha and Mohanan, P. and Kurian, Philip and Joy, Pattayil Alias and Anantharaman, Maliemadom R.} } @article { ISI:000340591000030, title = {Fluorescent polymeric ionic liquids for the detection of nitroaromatic explosives}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {34}, year = {2014}, month = {JUL}, pages = {13983-13989}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report, for the first time, applicability of film forming polymeric ionic liquids (PILs) possessing pyrene and anthracene fluorophores for the detection of nitroaromatics (NACs). These functionalized PILs were synthesized via post modification of thermo-chemically and mechanically stable polybenzimidazole (PBI). Formed PILs were evaluated for their ability to detect NACs through quenching of fluorescence intensity. Quenching of fluorescence intensity in solution state for NACs, such as nitrobenzene (NB), 2,4,6-trinitrotoluene (TNT) and picric acid (PA), was found to be rapid in both the PILs possessing pyrene and anthracene. The solution-phase Stern-Volmer quenching constants for PA were higher than for other NACs. After these promising results, self-standing films (similar to 12 mm thick) were also evaluated for fluorescence quenching by NACs as well as possible interferents of different nature. These films also exhibited rapid and selective fluorescence quenching when exposed to the saturated vapors of NACs at ambient temperature and pressure. Fluorescence emission of PIL films was affected little by the presence of commonly found interferents. Furthermore, fluorescence intensity could be recovered after the quenching, enabling the reuse of these PIL films for detection of NACs. Smart performance of these films and ease of preparation qualify them as attractive candidates in developing sensor devices for sensitive NACs detection in presence of possible interferents.

}, issn = {2050-7488}, doi = {10.1039/c4ta02766c}, author = {Shaligram, Sayali and Wadgaonkar, Prakash P. and Kharul, Ulhas K.} } @article { ISI:000330083100010, title = {Formation of a pseudo-beta-hairpin motif utilizing the Ant-Pro reverse turn: consequences of stereochemical reordering}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {5}, year = {2014}, month = {FEB}, pages = {774-782}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we report a special case of pseudo-beta-hairpin formation by tetrapetide sequences featuring a two-membered Ant Pro dipeptide motif (Ant = anthranilic acid and Pro = proline) at the loop region. These folded structures uniquely feature the presence of C9- and C17-H-bonding patterns at reverse turn and interstrand regions, respectively. Their hairpin nucleation and folding propensities have been expounded using solution and solid state studies of distinct stereochemically altered sequences.

}, issn = {1477-0520}, doi = {10.1039/c3ob42016g}, author = {Nair, Roshna V. and Kotmale, Amol S. and Dhokale, Snehal A. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000338980500002, title = {Formation of a room temperature stable Fe-V(O) complex: reactivity toward unactivated C-H bonds}, journal = {Journal of American Chemical Society}, volume = {136}, number = {27}, year = {2014}, month = {JUL}, pages = {9524-9527}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An Fe-V(O) complex has been synthesized from equimolar solutions of (Et4N)(2)[Fe-III(Cl)(biuretamide)] and mCPBA in CH3CN at room temperature. The Fe-V(O) complex has been characterized by UV-vis, EPR, Mossbauer, and HRMS and shown to be capable of oxidizing a series of alkanes having C-H bond dissociation energies ranging from 99.3 kcal mol(-1) (cyclohexane) to 84.5 kcal mori (cumene). Linearity in the Bell-Evans-Polayni graph and the finding of a large kinetic isotope effect suggest that hydrogen abstraction is engaged the rate-determining step.

}, issn = {0002-7863}, doi = {10.1021/ja412537m}, author = {Ghosh, Munmun and Singh, Kundan K. and Panda, Chakadola and Weitz, Andrew and Hendrich, Michael P. and Collins, Terrence J. and Dhar, Basab B. and Sen Gupta, Sayam} } @article { ISI:000345654000087, title = {From micron to nano-curcumin by sophorolipid co-processing: highly enhanced bioavailability, fluorescence, and anti-cancer efficacy}, journal = {RSC Advances}, volume = {4}, number = {104}, year = {2014}, month = {NOV}, pages = {60334-60341}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Co-sonication of curcumin and acidic sophorolipid in aqueous solution is shown to lead to a dramatic enhancement of curcumin bioavailability through size reduction and encapsulation. The interaction between the two is studied and discussed based on optical absorption, photoluminescence, dynamic light scattering (DLS), zeta potential, FE-SEM, TEM, Infrared spectroscopy and X-ray diffraction measurements. The cytotoxicity effects of curcumin on breast cancer cell lines, MCF-7 and MDA-MB-231, are shown to be significantly enhanced by the formation of its complex with sophorolipid. The relative cytotoxicity of curcumin with its SL(A) complex is more due to the presence of the glucose moiety. The results further suggest that sophorolipid based formulations, which solubilize and nano-encapsulate curcumin after lipid digestion, show great potential for curcumin cell entry.

}, issn = {2046-2069}, doi = {10.1039/c4ra07300b}, author = {Singh, Pradeep Kumar and Wani, Kirtee and Kaul-Ghanekar, Ruchika and Prabhune, Asmita and Ogale, Satishchandra} } @article { ISI:000334440200001, title = {Functional silicon nanostructures derived from drying-mediated self-assembly of gold nanoparticles}, journal = {Journal of Nanoparticle Research}, volume = {16}, number = {5}, year = {2014}, month = {APR}, pages = {2372}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Self-assembly of nanoparticles is an efficient technique where nanobuilding blocks spontaneously organize into ordered structures by thermodynamic and other constraints. We demonstrate that multifunctional Silicon (Si) nanostructures with unique morphologies like sheets, plates and flakes can be etched chemically by taking an advantage of natural self-assembly of gold nanoparticles (AuNPs) characterized with drying kinetics under external stimuli. We further demonstrated antireflection properties of the as-synthesized Si nanostructures.

}, keywords = {Antireflective material, gold nanoparticles, Metal-assisted chemical etching, Self-assembly, Si Nanostructures}, issn = {1388-0764}, doi = {10.1007/s11051-014-2372-8}, author = {Deshmukh, Ashvini B. and Devarapalli, Rami Reddy and Shelke, Manjusha V.} } @article { ISI:000333581400004, title = {Functionalization of cardanol: towards biobased polymers and additives}, journal = {Polymer Chemistry}, volume = {5}, number = {9}, year = {2014}, month = {OCT}, pages = {3142-3162}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Among the renewable resource materials, cashew nut shell liquid (CNSL) is considered as an important starting material due to its unique structural features, abundant availability and low cost. A large number of chemicals and products have been developed starting from CNSL by taking advantage of the three reactive sites, namely, phenolic hydroxyl, aromatic ring and unsaturation(s) in the alkenyl side chain. This comprehensive review deals with general information on CNSL, its purification and separation methods, reactivity and applications in polymer chemistry.

}, issn = {1759-9954}, doi = {10.1039/c3py01194a}, author = {Voirin, Coline and Caillol, Sylvain and Sadavarte, Nilakshi V. and Tawade, Bhausaheb V. and Boutevin, Bernard and Wadgaonkar, Prakash P.} } @article { ISI:000333787700019, title = {Functionalized celluloses and their nanoparticles: morphology, thermal properties, and solubility studies}, journal = {Carbohydrate Polymers}, volume = {104}, year = {2014}, month = {APR}, pages = {135-142}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Agricultural residues derived cellulose was used to synthesize a new series of carboxy functionalized cellulosic nanoparticles (quasi-spherical shaped, 13.2-21.5\% carboxyl content) and macro-sized 6-carboxycelluloses (long-fibril shaped, 1.7-22\% carboxyl content). The DP (50-70) and yield (upto 46\%) of nanoparticles were manipulated by controlling the reaction temperature and time. TGA/DTG thermographs of the carboxycelluloses gave thermostability data and co-related well with the residual crystalline, amorphous, and anhydroglucuronic acid content. The particle shape and size had no effect on the thermal stability. Some derivatives were fully or partially soluble in aqueous alkali and non-aqueous solvents, which can lead to increased versatility of these polymers. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {6-Carboxycellulose, cellulose, DTG, Morphology, Nanoparticles, TGA}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.01.015}, author = {Sharma, Priyanka R. and Varma, Anjanikumar} } @article { ISI:000345734800010, title = {Functionally engineered egg albumen gel for quasi-solid dye sensitized solar cells}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {12}, year = {2014}, month = {DEC}, pages = {2707-2714}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this report, we demonstrated an interesting application of a bioderived material for the dye sensitized solar cells (DSSCs). Egg white, the clear liquid in a hen{\textquoteright}s egg, which possesses a remarkable gelling/cross-linking ability, was applied in the form of a gel electrolyte in a DSSC architecture to enhance its durability. A hybrid gel composed of poly(acrylic acid), polyaniline and egg albumen was synthesized, and the cell efficiency, stability and durability of the corresponding DSSC device were studied in detail. The dye sensitized solar cell with the egg albumen based electrolyte demonstrated a conversion energy efficiency of 4.6\%. Further, a chemically modified egg albumen with ethylenediaminetetraacetic dianhydride showed improved cross-linking, microstructural and conductivity properties of the gel, and yielded a remarkable 5.75\% conversion efficiency. Electrochemical impedance spectroscopy data showed favorable characteristics for charge transport through the modified gel and supported the efficiency observations very well.

}, keywords = {dye sensitized solar cells, Egg albumen, gel electrolyte}, issn = {2168-0485}, doi = {10.1021/sc5004488}, author = {Kelkar, Sarika A. and Pandey, Komal and Agarkar, Shruti A. and Saikhedkar, Nidhi and Tathavadekar, Mukta and Agrawal, Ishita and Gundloori, Rathna V. N. and Ogale, Satishchandra} } @article { ISI:000343624300009, title = {Fungi mediated production and practical purification of (R)-(-)-3-quinuclidinol}, journal = {Tetrahedron Letters}, volume = {55}, number = {43}, year = {2014}, month = {OCT}, pages = {5911-5914}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A fungal system belonging to Mucoraceae family (Mucor piriformis) was explored for the asymmetric reduction of a prochiral ketone, 3-quinuclidinone (I) in an efficient manner to produce an important pharmaceutical precursor (R)-(-)-3-quinuclidinol (II) with similar to 96\% enantiomeric excess. The efficiency of the process was improved by developing a cation exchange resin (Amberlite IR-120) which assisted the purification of water soluble metabolite II from fermentation media. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {(R)-(-)-3-Quinuclidinol, Amberlite IR-120, Biotransformation, Ion exchange resin, Mucor pinformis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.09.015}, author = {Kolet, Swati P. and Jadhav, Dipesh D. and Priyadarshini, Balaraman and Swarge, Bhagyashree N. and Thulasiram, Hirekodathakallu V.} } @article { ISI:000339493400008, title = {General approach to N-heterocyclic carbenes with a fused tetracyclic core: ligands for suzuki-miyaura cross-coupling reaction}, journal = {European Journal of Organic Chemistry}, number = {21}, year = {2014}, month = {JUL}, pages = {4482-4486}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The synthesis of an N-heterocyclic carbene (NHC) based on a tetracyclic scaffold by using simple, general, and scalable chemistry is disclosed. The developed route is suitable for introducing multiple substitutions on the tetracyclic scaffold. The utility of the present NHC as a ligand in the Suzuki-Miyaura cross-coupling reaction is demonstrated with a low catalyst loading.

}, keywords = {C-C coupling, carbenes, Homogeneous catalysis, N ligands, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.201402378}, author = {Sutar, Revannath L. and Kumar, Vinod and Shingare, Rahul D. and Thorat, Shridhar and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI:000342896700002, title = {Genome sequencing analysis reveals virulence-related gene content of Ochrobactrum intermedium strain 229E, a urease-positive strain isolated from the human gastric niche}, journal = {Fems Microbiology Letters}, volume = {359}, number = {1}, year = {2014}, month = {OCT}, pages = {12-15}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

We report draft genome sequence of Ochrobactrum intermedium strain 229E concurrent with Helicobacter pylori in urease positive gastric biopsy of non-ulcer dyspeptic individual from Southern part of India. Since the role of Ochrobactrum in human gastric environment is poorly understood, comprehensive pathological, microbiological, and genome level understanding are necessary to evaluate its association with H. pylori in the gastric niche. Comparative analysis of O. intermedium 299E strain revealed functional similarities with virulence related gene clusters present in H. pylori genomes, which probably might aid in its ability to persist in the human gastric mucosa. However, H. pylori specific vacuolating cytotoxin (vacA) involved in vacuolization, cytotoxicity, and T-cell inhibition was absent in the O. intermedium 229E genome. Taken together, O. intermedium 229E shared numerous features like secretion system, urease, and flagella with H. pylori genome sequence that might aid concurrence in the gastric niche.

}, keywords = {Helicobacter pylori, Ochrobactrum intermedium strain 229E, virulence related gene clusters}, issn = {0378-1097}, doi = {10.1111/1574-6968.12549}, author = {Kulkarni, Girish J. and Shetty, Sudarshan and Dharne, Mahesh S. and Shouche, Yogesh S.} } @article { ISI:000342798000081, title = {Genome-wide identification and tissue-specific expression analysis of UDP-glycosyltransferases genes confirm their abundance in cicer arietinum (chickpea) genome}, journal = {Plos One}, volume = {9}, number = {10}, year = {2014}, month = {OCT}, pages = {e109715}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

UDP-glycosyltransferases (EC 2.4.1.x; UGTs) are enzymes coded by an important gene family of higher plants. They are involved in the modification of secondary metabolites, phytohormones, and xenobiotics by transfer of sugar moieties from an activated nucleotide molecule to a wide range of acceptors. This modification regulates various functions like detoxification of xenobiotics, hormone homeostasis, and biosynthesis of secondary metabolites. Here, we describe the identification of 96 UGT genes in Cicer arietinum (CaUGT) and report their tissue-specific differential expression based on publically available RNA-seq and expressed sequence tag data. This analysis has established medium to high expression of 84 CaUGTs and low expression of 12 CaUGTs. We identified several closely related orthologs of CaUGTs in other genomes and compared their exon-intron arrangement. An attempt was made to assign functional specificity to chickpea UGTs by comparing substrate binding sites with experimentally determined specificity. These findings will assist in precise selection of candidate genes for various applications and understanding functional genomics of chickpea.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0109715}, author = {Sharma, Ranu and Rawat, Vimal and Suresh, C. G.} } @article { ISI:000336072400003, title = {Graphene quantum dots conjugated albumin nanoparticles for targeted drug delivery and imaging of pancreatic cancer}, journal = {Journal of Materials Chemistry B}, volume = {2}, number = {21}, year = {2014}, month = {JUN}, pages = {3190-3195}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Pancreatic cancer is considered to be the deadliest of all cancers due to its poor prognosis and resistance to conventional therapies. In this study, the potential of hyaluronic acid functionalized and green fluorescent graphene quantum dot (GQD)-labeled human serum albumin nanoparticles for pancreatic cancer specific drug delivery and bioimaging was explored. GQDs with tunable fluorescence properties and biocompatibility have attracted much more interest in recent years as compared to their metal semiconductor counterparts. We adopted lawsone (2-hydroxy-1,4-naphthoquinone) as a novel reducing agent for the synthesis of quantum dots and, in addition to excellent fluorescence of the synthesized GQDs, a good quantum yield of similar to 14\% was also obtained. Gemcitabine, the most preferred drug for pancreatic cancer treatment, was encapsulated in albumin nanoparticles, and it was observed that our nanoformulation significantly enhanced the bioavailability and sustained release property of the drug to pancreatic cancer cells in vitro. Moreover, the GQD-mediated bioimaging was excellent and enhanced the efficacy of our system as a drug delivery vehicle.

}, issn = {2050-750X}, doi = {10.1039/c4tb00015c}, author = {Nigam, Preeti and Waghmode, Shobha and Louis, Michelle and Wangnoo, Shishanka and Chavan, Pooja and Sarkar, Dhiman} } @article { ISI:000345701500065, title = {Green chemical incorporation of silicon into polyoxoanions of molybdenum: characterization, thermal kinetics study and their photocatalytic water splitting activity}, journal = {RSC Advances}, volume = {4}, number = {108}, year = {2014}, month = {NOV}, pages = {63328-63337}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Cetylpyridinium silicomolybdate (CSM) nanorods were successfully synthesized by applying green chemistry principles using sodium molybdate and a structure directing cationic surfactant, cetyl pyridinium chloride (CPC) at room temperature. The composition and morphology of the nanorods were established by Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TG) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. The thermal decomposition kinetics of CSM nanorods were investigated by a non-isothermal thermogravimetric analyzer at various heating rates. The thermal decomposition of CSM occurred in two stages. The activation energies of the first and second stages of thermal decomposition for all heating rates have been estimated using the iso-conventional methods of Flynn-Wall-Ozawa (FWO) and Kissinger-Akahira-Sunose (KAS) and the results are found to be in good agreement with each other. The invariant kinetic parameter (IKP) method and master plot method were also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of CSM. The photocatalytic water oxidation mechanism using the CSM catalyst in the presence of platinum (Pt) co-catalyst enhances the H-2 evolution and was found to be 1.946 mmol g(-1) h(-1).

}, issn = {2046-2069}, doi = {10.1039/c4ra12331j}, author = {D{\textquoteright}Cruz, Bessy and Samuel, Jadu and George, Leena} } @article { ISI:000344998100063, title = {Green chemistry approach to styrene from ethylbenzene and air on MnxTi1-xO2 catalyst}, journal = {RSC Advances}, volume = {4}, number = {100}, year = {2014}, month = {OCT}, pages = {57087-57097}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Styrene (ST) is an industrially important commodity chemical, and design of a suitable catalyst, which provides high ethyl benzene (EB) conversion and styrene selectivity at Lower temperature with sustainable activity, is one of the major challenges in the field of heterogeneous catalysis. Manganese incorporated in titania (MnxT1-xO2) anatase Lattice, prepared via the solution combustion method, was evaluated for oxidative dehydrogenation (ODH) of EB with O-2 or air. MnxTi1-xO2 catalysts were characterized by different physiochemical methods. Up to 15\% Mn could be introduced into the TiO2 Lattice. TEM and XRD indicate disordered mesoporosity, further confirmed by adsorption isotherm analysis. MnxTi1-xO2 catalysts were evaluated for ST synthesis from EB using air or oxygen as oxidant between 440 and 570 degrees C. Reaction conditions have been varied systematically, such as catalyst composition, and EB/air/O-2 flow. MnxTi1-xO2 shows sustainable 55\% styrene yield for 45 h without deactivation under optimum conditions. A thorough analysis of spent catalysts demonstrates the conversion of initial anatase phase MnxTi1-xO2 to Mn3O4 supported on the rutile (R) phase of TiO2. The above change occurs in the first few hours of reaction and the Mn3O4 on R-TiO2 phase is the active phase of the catalyst and responsible for sustainable activity for Longer duration.

}, issn = {2046-2069}, doi = {10.1039/c4ra11814f}, author = {Negi, Sanjay Singh and Venugopalan, Aswathy Thareparambil and Raja, Thirumalaiswamy and Singh, Anand Pal and Gopinath, Chinnakonda S.} } @article { ISI:000343922800043, title = {Green synthesis of novel polyoxoanions of tungsten containing phosphorus as a heteroatom: characterization, non-isothermal decomposition kinetics and photocatalytic activity}, journal = {New Journal of Chemistry}, volume = {38}, number = {11}, year = {2014}, month = {SEP}, pages = {5436-5444}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Synthesis of cetylpyridinium phosphotungstate (CPW) nanospheres was carried out by using sodium tungstate and a structure directing cationic surfactant, cetyl pyridinium chloride (CPC), at room temperature by applying green chemistry principles. The composition and morphology of the nanospheres were established by Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), atomic force microscopy (AFM), thermogravimetric analysis (TGA) and inductively coupled plasma atomic emission spectroscopic (ICP-AES) techniques. Thermal properties of the nanoparticles were investigated by nonisothermal analysis under a nitrogen atmosphere at four different heating rates 10, 15, 20 and 25 degrees C min(-1). The thermal decomposition of CPW occurred in two stages. The activation energy values at each stage of thermal decomposition for all heating rates were calculated by Flynn-Wall-Ozawa (FWO) and Kissinger-Akahira-Sunnose (KAS) methods. The invariant kinetic parameter (IKP) method and the master plot method were also used to evaluate the kinetic parameters and mechanism for the thermal decomposition of CPW. The photocatalytic water oxidation mechanism using a CPW catalyst in the presence of a platinum (Pt) co-catalyst enhances the H-2 evolution, which was found to be 2.0 mmol g(-1) h(-1).

}, issn = {1144-0546}, doi = {10.1039/c4nj01098a}, author = {D{\textquoteright}Cruz, Bessy and Samuel, Jadu and Sreedhar, Mulloor Kesavapillai and George, Leena} } @article { ISI:000338042500011, title = {Green synthesis of polysaccharide stabilized gold nanoparticles: chemo catalytic and room temperature operable vapor sensing application}, journal = {RSC Advances}, volume = {4}, number = {46}, year = {2014}, month = {MAY}, pages = {24014-24019}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A facile, one pot, completely green, and cheap route for the synthesis of gold nanoparticles (AuNPs) has been developed by using locust bean gum (LBG), both as a reducing and a stabilizing agent. Synthesized AuNPs were characterized by UV-vis spectroscopy, TEM, XRD, dynamic light scattering analysis (DLS) and EDAX. A characteristic surface plasmon peak at 537 nm confirmed the formation of AuNPs. Synthesized AuNPs were found to be an efficient catalyst for the reduction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP). The reaction follows pseudo-first order kinetics with a rate constant of 14.46 X 10(-2) min(-1). Furthermore, the catalytic efficiency of AuNPs for ethanol vapor sensing was investigated by doping AuNPs in a tin oxide (SnO2) matrix synthesized by a single step thermal decomposition method. The AuNPs doped SnO2 sensor showed a fast response (similar to 5 seconds) and excellent ethanol sensing behavior in the range of 10 to 120 ppm at room temperature. A two fold increase in ethanol vapor sensing response was observed with AuNPs doped SnO2 as compared with the pure SnO2 sensor.

}, issn = {2046-2069}, doi = {10.1039/c4ra02972k}, author = {Tagad, Chandrakant K. and Rajdeo, Kishor S. and Kulkarni, Atul and More, Pooja and Aiyer, Rohini C. and Sabharwal, Sushma G.} } @article { ISI:000345826600002, title = {Heterogeneous foldamers from aliphatic-aromatic amino acid building blocks: current trends and future prospects}, journal = {European Journal of Organic Chemistry}, volume = {46}, number = {35}, year = {2014}, month = {DEC}, pages = {7763-7780}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Chemists{\textquoteright} constant pursuit of understanding of the underlying principles of nature{\textquoteright}s most intricate phenomenon such as protein folding has led to the development of the field of foldamers. The emergence of diverse classes of unnatural amino acid building blocks has unleashed countless opportunities to design, develop and explore the structural and functional aspects of synthetic peptides. One current trend in foldamer chemistry is the heterofoldamer approach, which involves systematic stoichiometric variation of various natural/unnatural amino acid residues, leading to conformational ordering with intriguing structural architectures. In this regard, the incorporation of aromatic amino acids provides efficient structural rigidification and tunability to the molecular scaffolds, which can exhibit a range of secondary structural features. Recent times have witnessed an upsurge of foldamers featuring aliphatic-aromatic residues with diverse structural propensities. This review is an effort to cover this rapidly developing field of foldamer science and also to envisage its future perspectives.

}, keywords = {Amino acids, Conformation analysis, Foldamers, hydrogen bonding, Peptides, Stacking interactions}, issn = {1434-193X}, doi = {10.1002/ejoc.201402877}, author = {Nair, Roshna V. and Vijayadas, Kuruppanthara N. and Roy, Arup and Sanjayan, Gangadhar J.} } @article { ISI:000340469800024, title = {Highly efficient chiral resolution of DL-arginine by cocrystal formation followed by recrystallization under preferential-enrichment conditions}, journal = {Chemistry-A European Journal}, volume = {20}, number = {33}, year = {2014}, month = {AUG}, pages = {10343-10350}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

An excellent chiral symmetry-breaking spontaneous enantiomeric resolution phenomenon, denoted preferential enrichment, was observed on recrystallization of the 1:1 cocrystal of dl-arginine and fumaric acid, which is classified as a racemic compound crystal with a high eutectic ee value (\>95\%), under non-equilibrium crystallization conditions. On the basis of temperature-controlled video microscopy and in situ time-resolved solid-state (CNMR)-C-13 spectroscopic studies on the crystallization process, a new mechanism of phase transition that can induce preferential enrichment is proposed.

}, keywords = {Amino acids, chiral resolution, cocrystals, Crystal growth, phase transitions}, issn = {0947-6539}, doi = {10.1002/chem.201402446}, author = {Iwama, Sekai and Kuyama, Kazunori and Mori, Yuko and Manoj, Kochunnoonny and Gonnade, Rajesh G. and Suzuki, Katsuaki and Hughes, Colan E. and Williams, P. Andrew and Harris, Kenneth D. M. and Veesler, Stephane and Takahashi, Hiroki and Tsue, Hirohito and Tamura, Rui} } @article { ISI:000330241000045, title = {Highly efficient one-pot multi-component synthesis of alpha-aminophosphonates and bis-alpha-aminophosphonates catalyzed by heterogeneous reusable silica supported dodecatungstophosphoric acid (DTP/SiO2) at ambient temperature and their antitubercular eval}, journal = {RSC Advances}, volume = {4}, number = {15}, year = {2014}, month = {JAN}, pages = {7666-7672}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A highly efficient one-pot multi-component reaction (MCR) protocol over DTP/SiO2 has been developed for the synthesis of alpha-aminophosphonate derivatives (4a-x) in excellent yields. The alpha-aminophosphonate derivatives were for the first time evaluated for their antitubercular activity against the M. tuberculosis H37Ra (MTB) strain. An evaluation of the data on the cytotoxicity and antimicrobial activity shows that 4n and 4v are promising antitubercular agents.

}, issn = {2046-2069}, doi = {10.1039/c3ra45853a}, author = {Mulla, Shafeek Abdul Rashid and Pathan, Mohsinkhan Y. and Chavan, Santosh S. and Gample, Suvarna P. and Sarkar, Dhiman} } @article { ISI:000341226000019, title = {Homogeneous photochemical water oxidation by biuret-modified Fe-TAML: evidence of Fe-V(O) intermediate}, journal = {Journal of the American Chemical Society}, volume = {136}, number = {35}, year = {2014}, month = {SEP}, pages = {12273-12282}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{Water splitting, leading to hydrogen and oxygen in a process that mimics natural photosynthesis, is extremely important for devising a sustainable solar energy conversion system. Development of earth-abundant, transition metal-based catalysts that mimic the oxygen-evolving complex of photosystem II, which is involved in oxidation of water to O-2 during natural photosynthesis, represents a major challenge. Further, understanding the exact mechanism, including elucidation of the role of active metal-oxo intermediates during water oxidation (WO), is critical to the development of more efficient catalysts. Herein, we report Fe-III complexes of biuret-modified tetra-amidomacrocyclic ligands (Fe-TAML; 1a and 1b) that catalyze fast, homogeneous, photochemical WO to give OD with moderate efficiency (maximum TON = 220

}, issn = {0002-7863}, doi = {10.1021/ja503753k}, author = {Panda, Chakadola and Debgupta, Joyashish and Diaz, David Diaz and Singh, Kundan K. and Gupta, Sayam Sen and Dhar, Basab B.} } @article { ISI:000332835300494, title = {Homogeneous water oxidation using peroxidase mimic [Fe-III(biuret-amide)] and analyte detection via signal amplification}, journal = {Journal of Biological Inorganic Chemistry}, volume = {19}, number = {1}, year = {2014}, note = {16th International Conference on Biological Inorganic Chemistry (ICBIC), Grenoble, FRANCE, JUL 22-26, 2013}, month = {MAR}, pages = {S557}, publisher = {Int Organizing Comm; Natl Organizing Comm; SBIC; Veolia Environm; Arcane; Grenoble Innovat Adv New Technologies; LOREAL; Soc Chimique France; CEA, Life Sci Div; SHIMADZU; High Tech Mat; CEA, Div Matter Sci; IFP Energies Nouvelles; Univ Joseph Fourier; Spr}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, issn = {0949-8257}, author = {Panda, C. and Dhar, B. B. and Ghosh, Munmun and Malvi, Bharmana and Bhattacharjee, Yudhajit and Sengupta, S.} } @inbook {43343, title = {Hydrophobically Modified Chitosan}, booktitle = {Hydrophobically Modified Chitosan}, volume = {19}, year = {2014}, pages = {91-102}, chapter = {Advances in Planar Lipid Bilayers and Liposomes }, abstract = {

Hydrophobically modified chitosan was prepared using the hydrophobic compound derived from natural resource material such as cashew nut shell liquid. Chitosan was modified using 3-pentadecyl cyclohexane carbaldehyde to different extents (2, 3, and 5 mol\%). Solution properties of hydrophobically modified chitosan were studied by rheology and light scattering. These indicated the aggregation behavior above the critical association concentration. Further, it was concluded that above the critical association concentration, the dynamics of the network formed due to the associations slowed down significantly.

}, doi = {10.1016/B978-0-12-418699-6.00004-7}, author = {Shedge, Aarti S. and Badiger, Manohar V.} } @article { ISI:000344635200043, title = {I-2-catalyzed regioselective Oxo- and hydroxy-acyloxylation of alkenes and enol ethers: a facile access to alpha-acyloxyketones, esters, and diol derivatives}, journal = {Organic Letters}, volume = {16}, number = {21}, year = {2014}, month = {NOV}, pages = {5674-5677}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

I-2-catalyzed oxo-acyloxylation of alkenes and enol ethers with carboxylic acids providing for the high yield synthesis of a-acyloxyketones and esters is described. This unprecedented regioselective oxidative process employs TBHP and Et3N in stoichiometric amounts under metal-free conditions in DMSO as solvent. Additionally, I-2-catalysis allows the direct hydroxy-acyloxylation of alkenes with the sequential addition of BH3 center dot SMe2 leading to monoprotected diol derivatives in excellent yields.

}, issn = {1523-7060}, doi = {10.1021/ol5027393}, author = {Reddi, Rambabu N. and Prasad, Pragati K. and Sudalai, Arumugam} } @article { ISI:000330999600057, title = {IFN-gamma signaling maintains skin pigmentation homeostasis through regulation of melanosome maturation}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {111}, number = {6}, year = {2014}, month = {FEB}, pages = {2301-2306}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

Cellular homeostasis is an outcome of complex interacting processes with nonlinear feedbacks that can span distinct spatial and temporal dimensions. Skin tanning is one such dynamic response that maintains genome integrity of epidermal cells. Although pathways underlying hyperpigmentation cascade are recognized, negative feedback regulatory loops that can dampen the activated melanogenesis process are not completely understood. In this study, we delineate a regulatory role of IFN-gamma in skin pigmentation biology. We show that IFN-gamma signaling impedes maturation of the key organelle melanosome by concerted regulation of several pigmentation genes. Withdrawal of IFN-gamma signal spontaneously restores normal cellular programming. This effect in melanocytes is mediated by IFN regulatory factor-1 and is not dependent on the central regulator microphthalmia-associated transcription factor. Chronic IFN-gamma signaling shows a clear hypopigmentation phenotype in both mouse and human skin. Interestingly, IFN-gamma KO mice display a delayed recovery response to restore basal state of epidermal pigmentation after UV-induced tanning. Together, our studies delineate a new spatiotemporal role of the IFN-gamma signaling network in skin pigmentation homeostasis, which could have implications in various cutaneous depigmentary and malignant disorders.

}, keywords = {detanning, gene regulation, interferon, melanin}, issn = {0027-8424}, doi = {10.1073/pnas.1304988111}, author = {Natarajan, Vivek T. and Ganju, Parul and Singh, Archana and Vijayan, Vinaya and Kirty, Kritika and Yadav, Shalini and Puntambekar, Shraddha and Bajaj, Sonali and Dani, Prachi P. and Kar, Hemanta K. and Gadgil, Chetan J. and Natarajan, Krishnamurthy and Rani, Rajni and Gokhale, Rajesh S.} } @article { ISI:000330603800033, title = {Immobilization of bile salt hydrolase enzyme on mesoporous SBA-15 for co-precipitation of cholesterol}, journal = {International Journal of Biological Macromolecules}, volume = {63}, year = {2014}, month = {FEB}, pages = {218-224}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We describe herein a simple and effective strategy for immobilization of bile salt hydrolase enzyme by grafting glutaraldehyde groups inside channels of APTES functionalized SBA-15. The increase in glutaraldehyde concentration prevents leakage of enzyme but showed a steep decrease in enzyme activity in the immobilized matrix. So the degree of cross-linking should be the minimum possible to ensure sufficient stability without loss of activity. Cross-linking carried out with 0.1\% glutaraldehyde concentration showed the highest activity, so this was used in all further experiments. Physico-chemical characterizations of the immobilized enzyme were carried out by XRD, N-2 adsorption, TEM, FUR and Si-29 CP-MAS NMR techniques. Immobilized BSH exhibits enhanced stability over a wide pH (3-11) and temperature range (40-80 degrees C) and retains an activity even after recycling experiments and six months of storage. From our in vivo research experiment toward co-precipitation of cholesterol, we have shown that immobilized BSH enzyme may be the promising catalyst for the reduction of serum cholesterol levels in our preliminary investigation. Enhancement in pH stability at the extreme side of pH may favor the use of immobilized BSH enzyme for drug delivery purpose to with stand extreme pH conditions in the gastrointestinal conditions. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Bile salt hydrolase, Co-precipitation of cholesterol, SBA-15}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2013.11.008}, author = {Bhange, Pallavi and Sridevi, N. and Bhange, Deu S. and Prabhune, Asmita and Ramaswamy, Veda} } @article { ISI:000337337000035, title = {Impact of fly ash impurity on the hydrate-based gas separation process for carbon dioxide capture from a flue gas mixture}, journal = {Industrial \& Engineering Chemistry Research}, volume = {53}, number = {23}, year = {2014}, month = {JUN}, pages = {9849-9859}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The hydrate-based gas separation (HBGS) process for gas mixtures of CO2 + N-2 (flue gas) and CO2 + H-2 (fuel gas) has proven to be very efficient and highly selective for CO2 capture. In addition to CO2 and N-2, flue gas from coal-based thermal power stations can contain impurities such as nitrogen oxides (NOx), sulfur oxides (SOx), and fly ash. In this work, the impact of fly ash on the HBGS process efficiency was investigated. Tetrahydrofuran (THF, 1 mol \%) was used as a thermodynamic promoter, and sodium dodecyl sulfate (SDS) and sodium dodecyl benzenesulfonate (SDBS) (anionic surfactants) were used as kinetic promoters. Whereas the use of THF in the HBGS process reduces the operating pressure significantly, both SDS and SDBS were found to enhance the rate of hydrate formation. It was observed that the hydrate equilibrium conditions did not change in the presence of fly ash. However, the presence of fly ash enhanced the separation efficiency of the HBGS process by reducing the induction time and increasing the kinetics of hydrate formation. Therefore, the presence of fly ash in a flue gas mixture is not detrimental to the HBGS process, which is a positive factor for the capture and geological sequestration of CO2 in the form of gas hydrates.

}, issn = {0888-5885}, doi = {10.1021/ie5001955}, author = {Kumar, Asheesh and Sakpal, Tushar and Linga, Praveen and Kumar, Rajnish} } @article { ISI:000339470100014, title = {Improved method for specificity annotation shows a distinct evolutionary divergence among the microbial enzymes of the cholylglycine hydrolase family}, journal = {Microbiology-SGM}, volume = {160}, number = {6}, year = {2014}, month = {JUN}, pages = {1162-1174}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

Bile salt hydrolases (BSHs) are gut microbial enzymes that play a significant role in the bile acid modification pathway. Penicillin V acylases (PVAs) are enzymes produced by environmental microbes, having a possible role in pathogenesis or scavenging of phenolic compounds in their microbial habitats. The correct annotation of such physiologically and industrially important enzymes is thus vital. The current methods relying solely on sequence homology do not always provide accurate annotations for these two members of the cholylglycine hydrolase (CGH) family as BSH/PVA enzymes. Here, we present an improved method [binding site similarity (BSS)-based scoring system] for the correct annotation of the CGH family members as BSH/PVA enzymes, which along with the phylogenetic information incorporates the substrate specificity as well as the binding site information. The BSS scoring system was developed through the analysis of the binding sites and binding modes of the available BSH/PVA structures with substrates glycocholic acid and penicillin V. The 198 sequences in the dataset were then annotated accurately using BSS scores as BSH/PVA enzymes. The dataset presented contained sequences from Gram-positive bacteria, Gram-negative bacteria and archaea. The clustering obtained for the dataset using the method described above showed a clear distinction in annotation of Gram-positive bacteria and Gram-negative bacteria Based on this clustering and a detailed analysis of the sequences of the CGH family in the dataset, we could infer that the CGH genes might have evolved in accordance with the hypothesis stating the evolution of diderms and archaea from the monoderms.

}, issn = {1350-0872}, doi = {10.1099/mic.0.077586-0}, author = {Panigrahi, Priyabrata and Sule, Manas and Sharma, Ranu and Ramasamy, Sureshkumar and Suresh, C. G.} } @article {43228, title = {In situ characterisation of nanoscale electromechanical properties of quasi-two-dimensional MoS2 and MoO3, arXiv preprint arXiv}, journal = {Condensed Matter Materials Science}, volume = {1}, year = {2014}, month = {SEP}, abstract = {

Precise manipulation of electronic band structures of two-dimensional (2D) transition metal dichalcogenides and oxides (TMD\&Os) via localised strain engineering is an exciting avenue for exploiting their unique characteristics for electronics, optoelectronics, and nanoelectromechanical systems (NEMS) applications. This work experimentally demonstrates that mechanically-induced electrical transitions can be engineered in quasi-2D molybdenum disulphide (MoS2) and molybdenum trioxide (MoO3) using an in situ electrical nanoindentation technique. It is shown that localised strains on such quasi-2D layers can induce carrier transport alterations, thereby changing their electrical conduction behaviour. Such strain effects offer a potential tool for precisely manipulating the electronic transport properties of 2D TMD\&Os, and understanding the interactions of the atomic electronic states in such layered materials.

}, author = {Walia, Sumeet and Nili, Hussein and Balendhran, Sivacarendran and Late, Dattatray J. and Sriram, Sharath and Bhaskaran, Madhu} } @article { ISI:000333057300005, title = {In situ pH management for microbial culture in shake flasks and its application to increase plasmid yield}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {41}, number = {4}, year = {2014}, month = {APR}, pages = {647-655}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Shake flasks are widely used to culture microorganisms, but they do not allow for pH control without additional infrastructure. In the presence of a carbon source like glucose, culture pH typically decreases due to overflow metabolism and can limit the growth of microorganisms in shake flasks. In this study, we demonstrate the use of magnesium hydroxide-loaded pH managing hydrogels (m-pHmH) for in situ base release to counter the decrease in culture pH in shake flasks using Escherichia coli as a model organism, in both complex and mineral salts medium. Base release from m-pHmH is shown to increase with decreasing pH (22-fold increase in release rate from pH 8 to 5), thus providing feedback from culture pH. The addition of m-pHmH resulted in better pH maintenance and higher biomass yields of E. coli K12 in media containing glucose as a carbon source. The use of m-pHmH with additional buffer resulted in pH being maintained above 6.9 while pH decreases below 5 without m-pHmH. We demonstrate one application of such in situ pH management to increase the volumetric plasmid yield from E. coli in shake flask culture. In situ glucose release through a hydrogel to mimic fed-batch culture along with the addition of m-pHmH resulted in a 395 \% increase in volumetric plasmid yield to 38 mu g/ml in shake flask culture.

}, keywords = {In situ pH control, Magnesium hydroxide, pH-responsive base release, Shake flask culture}, issn = {1367-5435}, doi = {10.1007/s10295-014-1405-8}, author = {Sanil, Reenu and Maralingannavar, Vishwanathgouda and Gadgil, Mugdha} } @article { ISI:000330489500020, title = {In situ synthesized BSA capped gold nanoparticles: effective carrier of anticancer drug methotrexate to MCF-7 breast cancer cells}, journal = {Materials Science \& Engineering C-Materials For Biological Applications}, volume = {34}, year = {2014}, month = {JAN}, pages = {158-167}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The proficiency of MTX loaded BSA capped gold nanoparticles (Au-BSA-MTX) in inhibiting the proliferation of breast cancer cells MCF-7 as compared to the free drug Methotrexate (MTX) is demonstrated based on MTT and Ki-67 proliferation assays. In addition, DNA ladder gel electrophoresis studies, flow cytometry and TUNEL assay confirmed the induction of apoptosis by MTX and Au-BSA-MTX in MCF-7 cells. Notably, Au-BSA-MTX: was found to have higher cytotoxicity on MCF-7 cells compared with an equivalent dose of free MTX. The enhanced activity is attributed to the preferential uptake of Au-BSA-MTX particles by MCF-7 cells due to the presence of BSA that acts as a source of nutrient and energy to the rapidly proliferating MCF-7 cells. Moreover, the targeting ability of the drug MTX to the over expressed folate receptors on MCF-7 cells also contributes to the enhanced uptake and activity. Taken together, these results unveil that Au-BSA-MTX could be more effective than free drug for cancer treatment. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Apoptosis, Bovine serum albumin, Cancer therapy, Cytotoxicity, Dual active agents, gold nanoparticles}, issn = {0928-4931}, doi = {10.1016/j.msec.2013.09.004}, author = {Murawala, Priyanka and Tirmale, Amruta and Shiras, Anjali and Bhagavatula L. V. Prasad} } @article { ISI:000345226100028, title = {Indanthrone derived disordered graphitic carbon as promising insertion anode for sodium ion battery with long cycle life}, journal = {Electrochimica Acta}, volume = {146}, year = {2014}, month = {NOV}, pages = {218-223}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We report facile, one step synthesis of disordered graphitic carbon by high temperature (1000 degrees C) pyrolysis of indanthrone dye (ID). The pyrolysed carbon is disordered in nature and the same is clearly evidenced by various analytical techniques like X-ray diffraction, Raman spectroscopy and high resolution transmission electron microscopy. Na-insertion properties of such indanthrone dye derived disordered graphitic carbon (IDDGC) is evaluated in half-cell assembly (Na/IDDGC). The test cell delivered a reversible capacity of similar to 160 mAh g(-1) at current density of 25 mAg 1. In addition, excellent cycling profiles are noted for such IDDGC, which retains 67\% of initial reversible capacity after 500 cycles. The present study clearly highlights the importance of disorder in the graphitic carbon for efficient Na-ion storage. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {anode, disordered carbon, indanthrone, Na-ion battery}, issn = {0013-4686}, doi = {10.1016/j.electacta.2014.09.052}, author = {Suryawanshi, Anil and Mhamane, Dattakumar and Nagane, Satyawan and Patil, Shankar and Aravindan, Vanchiappan and Ogale, Satishchandra and Srinivasan, Madhavi} } @article { ISI:000343715000091, title = {Influence of method of preparation on the activity of La-Ni-Ce mixed oxide catalysts for dry reforming of methane}, journal = {RSC Advances}, volume = {4}, number = {91}, year = {2014}, month = {OCT}, pages = {50226-50232}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

La-Ni-x-Ce1-x mixed oxide catalysts were prepared by a sol-gel method varying the Ni composition (0 \<= x \<= 1). The catalysts were characterized by X-ray diffraction (XRD), inductively coupled plasma optical emission spectroscopy (ICP-OES), BET surface area, X-ray photoelectron spectroscopy (XPS), temperature-programmed reduction (TPR), H-2 chemisorption and Fourier transform infrared spectroscopy (FT-IR) techniques. CO2 reforming of methane was carried out at atmospheric pressure and 800 degrees C, maintaining a reactant CO2/CH4/N-2 ratio of 80/80/80 (total flow rate = 240 ml min(-1), GHSV of 28 800 h(-1)). The catalysts offered higher activity even at lower Ni compositions. LaNi0.4Ce0.6O3. showed the highest conversion of CH4 and CO2. The H-2/CO ratio in the syngas was stable at 0.85 +/- 0.02. The performance of the sol-gel catalysts was compared with that of the hydrothermally prepared catalysts, reported earlier. High surface area and better Ni dispersion were found to be the reasons for superior activity of the sol-gel catalysts.

}, issn = {2046-2069}, doi = {10.1039/c4ra07098d}, author = {Sagar, T. V. and Sreelatha, N. and Hanmant, G. and Surendar, M. and Lingaiah, N. and Rao, K. S. Rama and Satyanarayana, C. V. V. and Reddy, I. A. K. and Prasad, P. S. Sai} } @article { ISI:000339995100067, title = {Insecticidal potential of defense metabolites from ocimum kilimandscharicum against helicoverpa armigera}, journal = {Plos One}, volume = {9}, number = {8}, year = {2014}, month = {AUG}, pages = {e104377}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Genus Ocimum contains a reservoir of diverse secondary metabolites, which are known for their defense and medicinal value. However, the defense-related metabolites from this genus have not been studied in depth. To gain deeper insight into inducible defense metabolites, we examined the overall biochemical and metabolic changes in Ocimum kilimandscharicum that occurred in response to the feeding of Helicoverpa armigera larvae. Metabolic analysis revealed that the primary and secondary metabolism of local and systemic tissues in O. kilimandscharicum was severely affected following larval infestation. Moreover, levels of specific secondary metabolites like camphor, limonene and beta-caryophyllene (known to be involved in defense) significantly increased in leaves upon insect attack. Choice assays conducted by exposing H. armigera larvae on O. kilimandscharicum and tomato leaves, demonstrated that O. kilimandscharicum significantly deters larval feeding. Further, when larvae were fed on O. kilimandscharicum leaves, average body weight decreased and mortality the larvae increased. Larvae fed on artificial diet supplemented with O. kilimandscharicum leaf extract, camphor, limonene and beta-caryophyllene showed growth retardation, increased mortality rates and pupal deformities. Digestive enzymes of H. armigera - namely, amylase, protease and lipase- showed variable patterns after feeding on O. kilimandscharicum, which implies striving of the larvae to attain required nutrition for growth, development and metamorphosis. Evidently, selected metabolites from O. kilimandscharicum possess significant insecticidal activity.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0104377}, author = {Singh, Priyanka and Jayaramaiah, Ramesha H. and Sarate, Priya and Thulasiram, Hirekodathakallu V. and Kulkarni, Mahesh J. and Giri, Ashok P.} } @article { ISI:000333675600057, title = {In-Silico analysis of binding site features and substrate selectivity in plant flavonoid-3-o glycosyltransferases (F3GT) through molecular modeling, docking and dynamics simulation studies}, journal = {Plos One}, volume = {9}, number = {3}, year = {2014}, month = {MAR}, pages = {e92636}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Flavonoids are a class of plant secondary metabolites that act as storage molecules, chemical messengers, as well as participate in homeostasis and defense processes. They possess pharmaceutical properties important for cancer treatment such as antioxidant and anti-tumor activities. The drug-related properties of flavonoids can be improved by glycosylation. The enzymes glycosyltransferases (GTs) glycosylate acceptor molecules in a regiospecific manner with the help of nucleotide sugar donor molecules. Several plant GTs have been characterized and their amino acid sequences determined. However, three-dimensional structures of only a few are reported. Here, phylogenetic analysis using amino acid sequences have identified a group of GTs with the same regiospecific activity. The structures of these closely related GTs were modeled using homologous GT structures. Their substrate binding sites were elaborated by docking flavonoid acceptor and UDP-sugar donor molecules in the modeled structures. Eight regions near the acceptor binding site in the N- and C-terminal domain of GTs have been identified that bind and specifically glycosylate the 3-OH group of acceptor flavonoids. Similarly, a conserved motif in the C-terminal domain is known to bind a sugar donor substrate. In certain GTs, the substitution of a specific glutamine by histidine in this domain changes the preference of sugar from glucose to galactose as a result of changed pattern of interactions. The molecular modeling, docking, and molecular dynamics simulation studies have revealed the chemical and topological features of the binding site and thus provided insights into the basis of acceptor and donor recognition by GTs.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0092636}, author = {Sharma, Ranu and Panigrahi, Priyabrata and Suresh, C. G.} } @article { ISI:000340826700002, title = {Isolation, characterization and antihyperlipidemic activity of secoisolariciresinol diglucoside in poloxamer-407-induced experimental hyperlipidemia}, journal = {Pharmaceutical Biology}, volume = {52}, number = {9}, year = {2014}, month = {SEP}, pages = {1094-1103}, publisher = {INFORMA HEALTHCARE}, address = {TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND}, abstract = {

Context: Linum usitatissimum L. (Linaceae), commonly known as flaxseed, is a good source of dietary fiber and lignans. Earlier we reported cardioprotective, antihyperlipidemic, and in vitro antioxidant activity of flax lignan concentrate (FLC) obtained from flaxseed. Objectives: To isolate secoisolariciresinol diglucoside (SDG) from FLC and to evaluate the antihyperlipidemic activity of SDG in poloxamer-407 (P-407)-induced hyperlipidaemic mice. Material and methods: FLC was subjected to column chromatography and further subjected to preparative HPTLC to isolate SDG. The chemical structure of the isolated compound was elucidated by UV, IR, H-1 NMR, C-13 NMR, DEPT, COSY, HSQC, HMBC, ROESY, MS, and specific optical rotation was recorded. Further, we have investigated the antihyperlipidaemic effect of SDG (20 mg/kg) in P-407-induced hyperlipidaemic rats. Hyperlipidaemia was induced by intraperitoneal administration of P-407 (30\% w/v). Serum lipid parameters such as total cholesterol (TC), triglycerides (TG), and high-density lipoprotein cholesterol (HDL-C) levels were measured. Results and discussion: The structure and stereochemistry of the isolated compound were confirmed on the basis of 1D and 2D spectral data and characterized as SDG. Finally, isolated pure SDG was screened using a P-407-induced mice model for its antihyperlipidemic action using serum lipid parameters. The isolated SDG (20 mg/kg) significantly reduced serum cholesterol, triglyceride (p\<0.001), very low-density lipoprotein (p\<0.05), and non-significantly increased HDL-C. Conclusion: Finally, it was concluded unequivocally that SDG showed antihyperlipidaemic effects in P-407-induced hyperlipidaemic mice. Isolated pure SDG confirms that SDG is beneficial in the prevention of experimental hyperlipidemia in laboratory animals.

}, keywords = {column chromatography, flaxseed, Linum usitatissimum}, issn = {1388-0209}, doi = {10.3109/13880209.2013.877492}, author = {Zanwar, Anand A. and Hegde, Mahabaleshwar V. and Rojatkar, Supada R. and Sonawane, Kiran B. and Rajamohanan, P. R. and Bodhankar, Subhash L.} } @article { ISI:000341783900004, title = {Isolation of streptococcus tigurinus - a novel member of streptococcus mitis group from a case of periodontitis}, journal = {FEMS Microbiology Letters}, volume = {357}, number = {2}, year = {2014}, month = {AUG}, pages = {131-135}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Streptococcus tigurinus is a new member of the Streptococcus viridians group and is closely related to Streptococcus mitis, Streptococcus pneumoniae, Streptococcus pseudopneumoniae, Streptococcus oralis, and Streptococcus infantis. The type strain AZ_3a(T) of S. tigurinus was originally isolated from a patient with infective endocarditis. Accurate identification of S. tigurinus is facilitated only by newer molecular methods like 16S rRNA gene analysis. During the course of study on bacteraemia and infective endocarditis with reference to periodontitis and viridians group of streptococci, a strain of S. tigurinus isolated from subgingival plaque of a patient with periodontitis identified by 16S rRNA gene analysis, which was originally identified as Streptococcus pluranimalium by Vitek 2. Confirmation by 16S rRNA gene analysis showed 99.39\% similarity (1476/1485 bp) with S. tigurinus AZ_3a(T) (AORU01000002). To the best of our knowledge, this is the first report of isolation of S. tigurinus from the oral cavity of a periodontitis patient.

}, keywords = {periodontitis, Streptococcus tigurinus, VGS}, issn = {0378-1097}, doi = {10.1111/1574-6968.12519}, author = {Dhotre, Shree V. and Mehetre, Gajanan T. and Dharne, Mahesh S. and Suryawanshi, Namdev M. and Nagoba, Basavraj S.} } @article { ISI:000337930900028, title = {Kocuria indica sp nov., isolated from a sediment sample}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {64}, number = {3}, year = {2014}, month = {MAR}, pages = {869-874}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

An actinobacterial strain was isolated from a sediment sample from Chorao Island, in Goa province, India, and subjected to a taxonomic investigation. The isolate, designated NIO-1021(T), was a Gram-stain positive, aerobic, non-motile and coccoid. Strain NIO-1021(T) was identified as a member of the genus Kocuria by a polyphasic approach. Strain NIO-1021(T) could be differentiated from other members of the genus Kocuria on the basis of physiology and 16S rRNA gene sequence analysis. The 16S rRNA gene sequence similarity of strain NIO-1021(T) to the most closely related species, Kocuria marina KCTC 9943(T), was 98.6\% with 19 nt differences). Furthermore, DNA-DNA hybridization analysis revealed that the novel strain had lower relatedness with the type strains of other members of the genus Kocuria. The strain formed a monophyletic clade with K. marina with 100\% bootstrap values. The major phospholipids were phosphatidylglycerol, diphosphatidylglycerol and two unidentified lipids. The predominant menaquinone was MK-7(H-2). The major fatty acids were anteiso-C-15:0, iso-C-(16:0) and anteiso-C-17:0. The DNA G+C content of strain NIO-1021(T) was 60.5 mol\%. Chemotaxonomic and phylogenetic properties of the strain were consistent with its classification as representing a member of the genus Kocuria. On the basis of phenotypic, chemotypic and molecular characteristics, strain NIO-1021(T) is considered to represent a novel species of the genus Kocuria, for which the name Kocuria indica sp. nov. is proposed, with strain NIO-1021(T) (=NCIM 5455(T)=DSM 25126(T)=CCTCC AA 209050(T)) as the type strain.

}, issn = {1466-5026}, doi = {10.1099/ijs.0.052548-0}, author = {Dastager, Syed Gulam and Tang, Shan-Kun and Srinivasan, Krishnamurthi and Lee, Jae-Chan and Li, Wen-Jun} } @article { ISI:000330204700002, title = {Large amplitude oscillatory shear induces crystal chain orientation in velocity gradient direction}, journal = {ACS Macro Letters}, volume = {3}, number = {1}, year = {2014}, month = {JAN}, pages = {6-9}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Imposition of large amplitude oscillatory shear (LAOS) on crystallizing polymer melts results in lamellar orientation in the shear gradient direction, in contrast to the flow-orientation observed for steady shear. LAOS enhances the formation of plate-like nuclei and orients their normals in the gradient direction. An Arrhenius temperature dependence (with activation energy approximate to 226 kJ/mol) characterizes the relaxation of crystal orientation with annealing.

}, issn = {2161-1653}, doi = {10.1021/mz4005716}, author = {Sreenivas, K. and Kumaraswamy, Guruswamy} } @article { ISI:000337521700013, title = {Large magnetocaloric effect, moment, and coercivity enhancement after coating Ni nanoparticles with Ag}, journal = {ChemPhysChem}, volume = {15}, number = {8}, year = {2014}, month = {JUN}, pages = {1619-1623}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We observe a large magnetocaloric effect in monodisperse Ni and NicoreAgshell nanoparticles in the superparamagnetic region. The organically passivated Ni nanospheres show a large magnetic entropy change of 0.9 J kg(-1)K for a 3 T magnetic field change. In comparison to the surfactant-coated Ni nanoparticles, the NicoreAgshell nanoparticles show an enhanced coercivity, magnetization, and magnetocaloric effect (1.3 kgK for a 3 T magnetic field change). The coercivity at 10 K increases from 360 Oe for Ni nanoparticles to nearly 610 Oe for NicoreAgshell particles. This large enhancement is attributed to the enhanced inter-particle interaction, which is mediated by the metallic shell, over the relatively weaker dipolar interaction in the surfactant-coated Ni nanoparticles, and to modification of the surface spin structure.

}, keywords = {anisotropy, core-shell, magnetic properties, Nanoparticles, superparamagnetic}, issn = {1439-4235}, doi = {10.1002/cphc.201300886}, author = {Srinath, Sanyadanam and Poddar, Pankaj and Das, Raja and Sidhaye, Deepti and Bhagavatula L. V. Prasad and Gass, James and Srikanth, Hariharan} } @article {46404, title = {Large scale synthesis of graphene quantum dots (GQDs) from waste biomass and their use as an efficient and selective photoluminescence on-off-on probe for Ag+ ions}, journal = {Nanoscale}, volume = {6}, year = {2014}, month = {MAR}, pages = {11664-11670}, type = {Article}, abstract = {

Graphene quantum dots (GQDs) are synthesized from bio-waste and are further modified to produce amine-terminated GQDs (Am-GQDs) which have higher dispersibility and photoluminescence intensity than those of GQDs. A strong fluorescence quenching of Am-GQDs (switch-off) is observed for a number of metal ions, but only for the Ag+ ions is the original fluorescence regenerated (switch-on) upon addition of L-cysteine.

}, issn = {2040-3364}, doi = {10.1039/c4nr02494j}, author = {Suryawanshi, Anil and Biswal, Mandakini and Mhamane, Dattakumar and Gokhale, Rohan and Patil, Shankar and Guin, Debanjan and Ogale, Satishchandra} } @article { ISI:000330799900051, title = {Lignocellulose processing: a current challenge}, journal = {RSC Advances}, volume = {4}, number = {16}, year = {2014}, month = {JAN}, pages = {8271-8277}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Lignocellulosic biomass, of which inedible crops are a renewable source, is expected to become one of the key renewable energy resources in the near future, to deal with global warming and the depletion of conventional fossil fuel resources. It also holds the key to supplying society{\textquoteright}s basic needs for the sustainable production of chemicals and fuels without impacting the human food supply. Despite this, the production of 2nd generation biofuels and chemicals has not yet been commercialized. Therefore, the challenges involved in the production of lignocellulosic biomass derived fuels and chemicals must be addressed. The search for economic pretreatment methods has been recognized as one of the main hurdles for the processing of biomass to biofuels and chemicals. The conversion of all biomass components, lignin in particular, would greatly contribute to the economic viability of biomass based processes for 2nd generation biofuels and chemicals. The highly organized crystalline structure of cellulose presents an obstacle to its hydrolysis. Hydrolysis of lignocellulose carbohydrates into fermentable sugars requires a number of different biomass degrading enzymes such as cellulases and hemicellulases. Still, a number of technical and scientific issues within pretreatment and hydrolysis remain to be solved. Depending on the raw material and pretreatment technology, the enzyme mixtures must be designed to degrade biomass carbohydrates. Rapid advances in enzyme, microbial and plant engineering would provide the necessary breakthroughs for the successful commercialization of biomass derived fuels and chemicals.

}, issn = {2046-2069}, doi = {10.1039/c3ra46112b}, author = {Singhvi, Mamata S. and Chaudhari, Shivani and Gokhale, Digambar V.} } @article { ISI:000343974100034, title = {Linearly polarized emission from self-assembled microstructures of mesogenic polythiophenes}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {43}, year = {2014}, month = {SEP}, pages = {23809-23818}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This work reports on linearly polarized photoluminescence and electroluminescence through spontaneous self-assembly of mesogenic polythiophenes under ambient conditions. A systematic structural variation and different alkyl chain lengths lead to three series of closely related mesogenic polythiophenes viz.; TPn, TNn and TVn. Polarized light emitting diodes fabricated from TV12 by solution processing with the configuration of ITO/PEDOT:PSS/Polymer/Al show linearly polarized electroluminescence with a dichroic ratio of 14.32. Spun thin films of TV12 elicited a dichroic ratio of 15.02 in photoluminescence. Studies using a range of techniques such as; atomic force microscopy, grazing incidence X-ray diffraction, fluorescence anisotropy, linear dichroism, fluorescence lifetime and dynamic light scattering reveal that the presence of highly ordered self-assembly was responsible for the dimensional confinement of optoelectronic properties. The ordering in the thin films originates from vinyl groups in the side chains of the TV12 polymer. Further studies on device characteristics show higher charge carrier mobility in polymers with vinyl side chains. Solution processed PLEDs show a maximum brightness of 863 cd m(-2) for the TP12 polymer and TV12 based LEDs show a maximum brightness of 524 cd m(-2).

}, issn = {1463-9076}, doi = {10.1039/c4cp03457k}, author = {Ananthakrishnan, Soundaram Jeevarathinam and Wadgaonkar, Prakash P. and Somanathan, Narayanasastri} } @article { ISI:000329886900016, title = {Luminescence and photocatalytic studies of Sm3+ ion doped SnO2 nanoparticles}, journal = {New Journal of Chemistry}, volume = {38}, number = {1}, year = {2014}, month = {JAN}, pages = {115-121}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Sm3+ ion doped tetragonal SnO2 nanoparticles have been synthesized by the polyol method and its concentration and annealing effects on photoluminescence properties are studied. The XRD results show the changes of lattice parameters with the incorporation of the Sm3+ ion into the SnO2 host lattices. Fourier transform infrared (FTIR) data indicate the formation of a Sn-O bond and capping of the nanoparticles by ethylene glycol. The broad emission peaks observed around 350 to 550 nm are attributed to the emission from defects or traps present in the host SnO2. The typical emission peaks of the Sm3+ ion are observed and there is efficient energy transfer between the host, SnO2 and the dopant, Sm3+ ion. Further, the prepared samples are experimented towards the photocatalytic behavior on selected triphenylmethane dyes, Ethyl Violet (EV) and Brilliant Green (BG). The degradation of dyes was found to be enhancing in the presence of Sm3+ ions as it suppress the e e(CB)(-) and h(VB)(+) recombination.

}, issn = {1144-0546}, doi = {10.1039/c3nj00759f}, author = {Singh, L. P. and Luwang, Meitram Niraj and Srivastava, S. K.} } @article { ISI:000340809600002, title = {Magnetic alignment of gamma (core)-alpha (shell) Fe2O3 nanorods in a solid polymer electrolyte for Li-Ion batteries}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {33}, year = {2014}, month = {AUG}, pages = {18836-18845}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The temperature-dependent ionic conductivity and thermal properties are characterized for a solid polymer electrolyte of poly(ethylene oxide) (PEO) and LiClO4 filled with 1 wt \% gamma-phase core (maghemite) and alpha-phase shell (hematite) Fe2O3 nanorods. Samples are solvent-cast in the absence and presence of a 0.5 T magnetic field, dried at room temperature under vacuum for 72 h, and measured under nitrogen. Vibrating sample magnetometry indicates that the magnetic treatment aligns the nanorods to some extent in the desired orientation normal to the electrode surface. For samples with an ether oxygen to lithium ratio (EO/Li) of 10:1, the nanorods induce sample-to-sample variability in the ionic conductivity. The magnetic treatment eliminates this variability, and differential scanning calorimetry data support the observation that the magnetic treatment increases the structural homogeneity of the electrolyte. For samples with an EO/Li of 3:1, the ionic conductivity is 3 orders of magnitude larger for samples containing 5 times more of the crystal structure, (PEO)(6)/LiClO4. This result is surprising because an inverse relationship between crystallinity and conductivity is normally observed for semicrystalline, solid polymer electrolytes. When the crystal fraction is increased by a factor of 8 via the combination of nanorods and magnetic treatment, the conductivity does not continue to increase, showing that the effect does not persist beyond a critical fraction of (PEO)(6)/LiClO4. The results demonstrate that field-effect alignment of magnetic nanorods increases the crystal fraction and homogeneity of PEO/LiClO4, but does not affect the ionic conductivity in the range of salt and nanorod concentrations investigated.

}, issn = {1932-7447}, doi = {10.1021/jp501786r}, author = {Schaetzl, Dean M. and Li, Peng and Chaudhari, Nilima and Bernstein, Gary H. and Fullerton-Shirey, Susan K.} } @article { ISI:000337763200018, title = {Matrix-assisted laser desorption/ionization mass spectrometry analysis of dimethyl arginine isomers from urine}, journal = {Analytical Methods}, volume = {6}, number = {13}, year = {2014}, month = {APR}, pages = {4602-4609}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Isomeric asymmetric and symmetric dimethyl arginine (ADMA and SDMA respectively) residues are excreted in urine and are putative markers of cardiovascular and chronic kidney diseases. In this work, we demonstrate simultaneous and quantitative detection of endogeneous ADMA and SDMA from urine samples of healthy subjects using MALDI-TOF MS without any chromatographic separation. The DMA isomers yielded [M + H](+) ions along with their product ions formed due to MALDI in-source fragmentation. The precursor ions were validated using MALDI-TOF MS/MS as well as direct injection ESI-Q-TOF MS/MS. ADMA and SDMA generated unique product ions at similar to m/z 46 and similar to m/z 172 respectively in the MS-mode itself. These were advantageously used for full scan-mode absolute quantification of the isomeric metabolites. The m/z observed for all the ions was within 10 ppm mass accuracy. The calibration method was established by generating internal standard normalized peak area-based concentration response curves using synthetic standards. Good linearities (R-2 \> 0.95) with acceptable intra-assay, inter-assay variation (within 15\% RSD) and excellent recoveries were observed for quality control samples. Finally, endogeneous concentrations of the metabolites were determined in urine from healthy subjects (n = 11). ADMA and SDMA were found to be in the range of 1.6-8 mu M and 2.9-9.1 mu M in urine and were in agreement with previously reported physiological levels.

}, issn = {1759-9660}, doi = {10.1039/c4ay00309h}, author = {Bhattacharya, Nivedita and Singh, Ajeet and Ghanate, Avinash and Phadke, Gayatri and Parmar, Dharmesh and Dhaware, Deepika G. and Basak, Trayambak and Sengupta, Shantanu and Panchagnula, Venkateswarlu} } @article { ISI:000342990400003, title = {Mechanosynthesis of imine, beta-ketoenamine, and hydrogen-bonded imine-linked covalent organic frameworks using liquid-assisted grinding}, journal = {Chemical Communications}, volume = {50}, number = {84}, year = {2014}, month = {JUL}, pages = {12615-12618}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A variety of aromatic amines/hydrazides and aldehydes have been utilized for the construction of crystalline COFs at a faster rate and in high yield, irrespective of their reactivity and solubility using the Liquid-Assisted Grinding (LAG) method.

}, issn = {1359-7345}, doi = {10.1039/c4cc03389b}, author = {Das, Gobinda and Shinde, Digambar Balaji and Kandambeth, Sharath and Biswal, Bishnu P. and Banerjee, Rahul} } @article { ISI:000336005600009, title = {Mesoporous, ligand free Cu-Fe solid catalyst mediated CS cross coupling of thiols with aryl halides}, journal = {Applied Catalysis A-General}, volume = {476}, year = {2014}, month = {APR}, pages = {54-60}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Solid catalyst derived from Cu-Fe hydrotalcite was demonstrated to be a novel, ligandless, efficient and environmentally greener catalyst for the synthesis of diaryl sulfurs from the C-S cross coupling reaction of substituted thiols with different aryl halides. This catalyst has shown higher product yield in the presence of dimethylformamide (as a solvent) and K2CO3 (as a base) at 120 C. Influence of different solvents and bases on the product yield has also been investigated. The catalyst can be easily separated from the reaction mixture, simply by filtration and reused several times without a significant loss of its activity. The catalyst has been fully characterized for its surface and bulk properties and the mesoporous CuO:Fe2O3 phase was attributed for its catalytic activity towards S-arylation reactions. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {C-S cross coupling, Cu-Fe-hydrotalcite, S-arylation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.02.015}, author = {Dumbre, Deepa K. and Selvakannan, P. R. and Patil, S. K. and Choudhary, Vasant R. and Bhargava, Suresh Kumar} } @article { ISI:000334984000005, title = {Methane reforming with carbon dioxide over La-Ni-x-Ce1-x mixed oxide catalysts}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {53}, number = {4-5, SI}, year = {2014}, month = {FEB}, pages = {478-483}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

La-Ni-x-Ce1-x mixed oxide (0 \<= x \<= 1) catalysts have been hydrothermally prepared, characterized by physico-chemical techniques and evaluated for CO2 reforming of methane. High conversions are achieved for both methane and carbon dioxide over the LaNi0.6Ce0.4O3 catalyst tested under the conditions of CO2/CH4/N-2 ratio of 80/80/80. (total flow rate = 240 mL/min), space velocity of 28,800 h(-1) and at a temperature of 800 degrees C. The H-2/CO ratio in the syngas is stable at 0.93 +/- 0.02. Exchanging Ni with Ce, rather than with La as reported in the literature, appears to be a better option for the improved performance of the catalysts.

}, keywords = {Carbon dioxide reforming, Catalysts, Cerium, Dry reforming, Hydrothermal synthesis, Lanthanum, Methane reforming, Mixed oxides, Nickel}, issn = {0376-4710}, author = {Sagar, T. V. and Sreelatha, N. and Hanmant, G. and Upendar, K. and Lingaiah, N. and Rao, Kamaraju Seetha Rama and Satyanarayana, C. V. V. and Reddy, I. A. K. and Prasad, P. S. Sai} } @article { ISI:000343016000001, title = {Microscopic hydration properties of the a beta(1-42) peptide monomer and the globular protein ubiquitin: a comparative molecular dynamics study}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {40}, year = {2014}, month = {OCT}, pages = {11591-11604}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Atomistic molecular dynamics simulations of eight selected conformations of a disordered protein amyloid beta (1-42) (A beta), and a globular protein, ubiquitin(UBQ), have been carried out in aqueous media at 310 K. Detailed analyses were carried out to compare the microscopic properties of water molecules present in the hydration layers of these systems. It is notices that irrespective of the conformational heterogeneity among the A beta monomers, water molecules hydrating UBQ. Importantly, the conformational heterogeneity of the A beta monomers has been found to affect the translational and rotational motions of hydration water molecules in a nonuniform manner. Detailed investigation of the timescale of hydrogen bond relaxations at the surface and their energetics revealed the possibility of heterogeneous confinement around different A beta conformations. The distribution of water density fluctuation around A beta conformations are broader compared density fluctuation among the A beta monomers suggests that the structural propensities could affect the peptides effective surface hydrophobicity.

}, issn = {1520-6106}, doi = {10.1021/jp505629q}, author = {Jose, Jaya C. and Khatua, Prabir and Bansal, Nupur and Sengupta, Neelanjana and Bandyopadhyay, Sanjoy} } @article { ISI:000343673200022, title = {Mitigating the cytotoxicity of graphene quantum dots and enhancing their applications in bioimaging and drug delivery}, journal = {ACS Macro Letters}, volume = {3}, number = {10}, year = {2014}, month = {OCT}, pages = {1064-1068}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Despite the promising photophysical properties of fluorescent graphene quantum dots (GQDs), their cellular toxicity needs to be addressed before their full potential could be completely realized in biomedicine. A simple method for mitigating the toxicity of GQDs by embedding them in PEG matrix is reported here. The enhanced biocompatibility of polymer modified, P-GQDs, is attributed to reduced reactive oxygen species generation, as measured by an intracellular ROS assay. We also demonstrate the enhanced loading and efficient intracellular delivery of therapeutics by P-GQDs.

}, issn = {2161-1653}, doi = {10.1021/mz500479k}, author = {Chandra, Anil and Deshpande, Sonal and Shinde, Dhanraj B. and Pillai, Vijayamohanan K. and Singh, Neetu} } @article { ISI:000346168600001, title = {Modification of crystal anisotropy and enhancement of magnetic moment of Co-doped SnO2 thin films annealed under magnetic field}, journal = {Nanoscale Research Letters}, volume = {9}, year = {2014}, month = {NOV}, pages = {635}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Co-doped SnO2 thin films were grown by sputtering technique on SiO2/Si(001) substrates at room temperature, and then, thermal treatments with and without an applied magnetic field (H-TT) were performed in vacuum at 600 degrees C for 20 min. H-TT was applied parallel and perpendicular to the substrate surface. Magnetic M(H) measurements reveal the coexistence of a strong antiferromagnetic (AFM) signal and a ferromagnetic (FM) component. The AFM component has a N,el temperature higher than room temperature, the spin axis lies parallel to the substrate surface, and the highest magnetic moment m =7 mu(B)/Co at. is obtained when H-TT is applied parallel to the substrate surface. Our results show an enhancement of FM moment per Co+2 from 0.06 to 0.42 mu(B)/Co at. for the sample on which H-TT was applied perpendicular to the surface. The FM order is attributed to the coupling of Co+2 ions through electrons trapped at the site of oxygen vacancies, as described by the bound magnetic polaron model. Our results suggest that FM order is aligned along [101] direction of Co-doped SnO2 nanocrystals, which is proposed to be the easy magnetization axis.

}, keywords = {Antiferromagnetism, Crystal anisotropy, Diluted magnetic oxide, Ferromagnetism, Magnetic anisotropy, Magnetic moment, Spin axis, thin film}, issn = {1556-276X}, doi = {10.1186/1556-276X-9-635}, author = {Loya-Mancilla, Sagrario M. and Poddar, Pankaj and Das, Raja and Ponce, Hilda E. Esparza and Templeton-Olivares, Ivan L. and Solis-Canto, Oscar O. and Ornelas-Gutierrez, Carlos E. and Espinosa-Magaa, Francisco and Olive-Mendez, Sion F.} } @article { ISI:000337974900017, title = {Modulation of reaction kinetics for the tuneable synthesis of gold nanoparticles and quantum clusters: application of gold quantum clusters as {\textquoteleft}{\textquoteleft}turn-off{\textquoteright}{\textquoteright} sensing probe for Sn4+ ions}, journal = {ChemPlusChem}, volume = {79}, number = {1}, year = {2014}, month = {JAN}, pages = {134-142}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The syntheses of gold nanoparticles (Au NPs) and gold quantum clusters (Au QCs) that employ cefadroxil (CFX; an antibiotic) as both reducing and capping agents are reported. The HAuCl4/CFX concentration, temperature, and pH are crucial factors in the modulation of the nucleation and growth kinetics of the reaction, and consequently, in guiding the size and morphology of as-synthesized Au NPs. Interesting results are observed if the reaction is performed under different pH conditions. TEM analysis of the Au NPs synthesized at pH 6 shows an average particle size of approximately 2 nm along with a relatively smaller population of bigger NPs (up to 6 nm). The Au QCs were isolated by high-speed centrifugation and showed fluorescence at lambda approximate to 460 nm. Furthermore, the as-synthesized Au QCs were applied as sensor for Sn4+ ions on the basis of an aggregation-induced fluorescence quenching mechanism. These Au QCs offer acceptable sensitivity, high selectivity, and a limit of detection of approximately 10 mm for the determination of Sn4+ ions.

}, issn = {2192-6506}, doi = {10.1002/cplu.201300319}, author = {Khandelwal, Puneet and Singh, Dheeraj K. and Sadhu, Subha and Poddar, Pankaj} } @article { ISI:000338283000052, title = {Molecular cloning and characterization of genistein 4{\textquoteright}-O-glucoside specific glycosyltransferase from Bacopa monniera}, journal = {Molecular Biology Reports}, volume = {41}, number = {7}, year = {2014}, month = {JUL}, pages = {4675-4688}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Health related benefits of isoflavones such as genistein are well known. Glycosylation of genistein yields different glycosides like genistein 7-O-glycoside (genistin) and genistein 4{\textquoteright}-O-glycoside (sophoricoside). This is the first report on isolation, cloning and functional characterization of a glycosyltransferase specific for genistein 4{\textquoteright}-O-glucoside from Bacopa monniera, an important Indian medicinal herb. The glycosyltransferase from B. monniera (UGT74W1) showed 49 \% identity at amino acid level with the glycosyltransferases from Lycium barbarum. The UGT74W1 sequence contained all the conserved motifs present in plant glycosyltransferases. UGT74W1 was cloned in pET-30b (+) expression vector and transformed into E. coli. The molecular mass of over expressed protein was found to be around 52 kDa. Functional characterization of the enzyme was performed using different substrates. Product analysis was done using LC-MS and HPLC, which confirmed its specificity for genistein 4{\textquoteright}-O-glucoside. Immuno-localization studies of the UGT74W1 showed its localization in the vascular bundle. Spatio-temporal expression studies under normal and stressed conditions were also performed. The control B. monniera plant showed maximum expression of UGT74W1 in leaves followed by roots and stem. Salicylic acid treatment causes almost tenfold increase in UGT74W1 expression in roots, while leaves and stem showed decrease in expression. Since salicylic acid is generated at the time of injury or wound caused by pathogens, this increase in UGT74W1 expression under salicylic acid stress might point towards its role in defense mechanism.

}, keywords = {Bacopa monniera, Expression analysis, Glycosyltransferase, Immuno-localization, Plant secondary product glycosyltransferase motif}, issn = {0301-4851}, doi = {10.1007/s11033-014-3338-8}, author = {Ruby and Kumar, R. J. Santosh and Vishwakarma, Rishi K. and Singh, Somesh and Khan, Bashir Mohammad} } @article { ISI:000346656700045, title = {Molecular Insights into the dynamics of pharmacogenetically important N-terminal variants of the human beta(2)-adrenergic receptor}, journal = {Plos Computational Biology}, volume = {10}, number = {12}, year = {2014}, month = {DEC}, pages = {e1004006}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

The human beta(2)-adrenergic receptor (beta(2)AR), a member of the G-protein coupled receptor (GPCR) family, is expressed in bronchial smooth muscle cells. Upon activation by agonists, beta(2)AR causes bronchodilation and relief in asthma patients. The N-terminal polymorphism of beta(2)AR at the 16th position, Arg16Gly, has warranted a lot of attention since it is linked to variations in response to albuterol (agonist) treatment. Although the beta(2)AR is one of the well-studied GPCRs, the N-terminus which harbors this mutation, is absent in all available experimental structures. The goal of this work was to study the molecular level differences between the N-terminal variants using structural modeling and atomistic molecular dynamics simulations. Our simulations reveal that the N-terminal region of the Arg variant shows greater dynamics than the Gly variant, leading to differential placement. Further, the position and dynamics of the N-terminal region, further, affects the ligand binding-site accessibility. Interestingly, long-range effects are also seen at the ligand binding site, which is marginally larger in the Gly as compared to the Arg variant resulting in the preferential docking of albuterol to the Gly variant. This study thus reveals key differences between the variants providing a molecular framework towards understanding the variable drug response in asthma patients.

}, issn = {1553-734X}, doi = {10.1371/journal.pcbi.1004006}, author = {Shahane, Ganesh and Parsania, Chirag and Sengupta, Durba and Joshi, Manali} } @article { ISI:000342687200060, title = {Molecular investigations of protriptyline as a multi-target directed ligand in alzheimer{\textquoteright}s disease}, journal = {Plos One}, volume = {9}, number = {8}, year = {2014}, month = {AUG}, pages = {e105196}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is a complex neurodegenerative disorder involving multiple cellular and molecular processes. The discovery of drug molecules capable of targeting multiple factors involved in AD pathogenesis would greatly facilitate in improving therapeutic strategies. The repositioning of existing non-toxic drugs could dramatically reduce the time and costs involved in developmental and clinical trial stages. In this study, preliminary screening of 140 FDA approved nervous system drugs by docking suggested the viability of the tricyclic group of antidepressants against three major AD targets, viz. Acetylcholinesterase (AChE), beta-secretase (BACE-1), and amyloid beta (A beta) aggregation, with one member, protriptyline, showing highest inhibitory activity. Detailed biophysical assays, together with isothermal calorimetry, fluorescence quenching experiments, kinetic studies and atomic force microscopy established the strong inhibitory activity of protriptyline against all three major targets. The molecular basis of inhibition was supported with comprehensive molecular dynamics simulations. Further, the drug inhibited glycation induced amyloid aggregation, another important causal factor in AD progression. This study has led to the discovery of protriptyline as a potent multi target directed ligand and established its viability as a promising candidate for AD treatment.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0105196}, author = {Bansode, Sneha B. and Jana, Asis K. and Batkulwar, Kedar B. and Warkad, Shrikant D. and Joshi, Rakesh S. and Sengupta, Neelanjana and Kulkarni, Mahesh J.} } @article { ISI:000331157500011, title = {Molecular structures and biological evaluation of 2-chloro-3-(n-alkylamino)-1,4-napthoquinone derivatives as potent antifungal agents}, journal = {Journal of Molecular Structure}, volume = {1059}, year = {2014}, month = {FEB}, pages = {68-74}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Derivatives of 2-chloro-3-(n-alkylamino)-1,4-naphthoquinone (1-alkyl: methyl; L-1, ethyl; L-2, propyl; L-3 and butyl; L-4) have been synthesized and characterized by elemental analysis, FT-IR, H-1 NMR, UV-visible spectroscopy, LC-MS and single crystal X-ray diffraction studies. Antifungal activity of L-1 to L-4 has been evaluated against Candida tropicalis, Candida albicans and Cladosporium herbarum. The intramolecular hydrogen bonding affects the N-H vibrational frequency in L-2 (3273 cm(-1)). The single crystal X-ray structure reveal that L-1 and L-3 crystallizes in triclinic P-1, whereas L-2 crystallizes in orthorhombic Pca2(1), space group. An extensive intra and intermolecular hydrogen bonding interactions were observed in L-1 to L-3 which leads to molecular association. Intramolecular N-H center dot center dot center dot O hydrogen bonding were observed in L-1 to L-3. Moreover pi-pi stacking interactions were observed between the quinonoid rings of L-1 and L-3, however no such interactions were observed in L-2. An electrochemical study showed molecular association of L-1 to L-4 in DMSO solution. Compounds L-1 to L-4 were found to be potent antifungal agents against all the three strains, especially against C. tropicalis. Amongst these promising antifungal candidates, L-1 showed better activity compared to the clinically administered antifungal drug Amphotericin B and Nitrofurantoin with MIC = 1.25 mu g ml(-1) and MIC = 0.025 mu g ml(-1) respectively against C. albicans. Structure and activity relationship (SAR) study suggest a LogP value of similar to 2.0 and the cyclic voltammetry studies reveals additional chemical processes for L-1, which exhibits maximum activity against all fungal strains. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Aminonaphthoquinone, Antifungal activity, LogP, Naphthosemiquinone, pi-pi stacking}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2013.11.029}, author = {Pawar, Omkar and Patekar, Ashwini and Khan, Ayesha A. and Kathawate, Laxmi and Haram, Santosh K. and Markad, Ganesh and Puranik, Vedavati G. and Salunke-Gawali, Sunita} } @article { ISI:000332059600003, title = {Morphological effects of G-quadruplex stabilization using a small molecule in zebrafish}, journal = {Biochemistry}, volume = {53}, number = {7}, year = {2014}, month = {FEB}, pages = {1117-1124}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Zebrafish (Danio rerio) embryos are transparent and advantageous for studying early developmental changes due to ex utero development, making them an appropriate model for studying gene expression changes as a result of molecular targeting. Zebrafish embryos were injected with a previously reported G-quadruplex selective ligand, and the phenotypic changes were recorded. We report marked discrepancies in the development of intersegmental vessels. In silico analysis determined that the putative G-quadruplex motif occur in the upstream promoter region of the Cdh5 (N-cadherin) gene. A real-time polymerase chain reaction-based investigation indicated that in zebrafish, CDH-2 (ZN-cad) was significantly downregulated in the ligand-treated embryos. Biophysical characterization of the interaction of the ligand with the G-quadruplex motif found in this promoter yielded strong binding and stabilization of the G-quadruplex with this ligand. Hence, we report for the first time the phenotypic impact of G-quadruplex targeting with a ligand in a vertebrate organism. This study has unveiled not only G-quadruplex targeting in non-human animal species but also the potential that G-quadruplexes can provide a ready tool for understanding the phenotypic effects of targeting certain important genes involved in differentiation and developmental processes in a living eukaryotic organism.

}, issn = {0006-2960}, doi = {10.1021/bi4009352}, author = {Agarwal, Tani and Lalwani, Mukesh Kumar and Kumar, Santosh and Roy, Saumya and Chakraborty, Tushar Kanti and Sivasubbu, Sridhar and Maiti, Souvik} } @article { ISI:000335924100043, title = {Multifunctional and robust covalent organic framework-nanoparticle hybrids}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {21}, year = {2014}, month = {MAR}, pages = {7944-7952}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Highly dispersed Pd(0) nanoparticles were successfully immobilized into a stable, crystalline and porous covalent organic framework (COF), TpPa-1, by a solution infiltration method using NABH(4) as a reducing agent. High resolution and dark field TEM images confirmed the uniform loading of the Pd(0) nanoparticles into the TpPa-1 matrix without aggregation. This hybrid material exhibited excellent catalytic activity towards the Cu free Sonogashira, Heck and sequential one pot Heck-Sonogashira cross-coupling reactions under basic conditions, and with superior performance compared to commercially available Pd supported on activated charcoal (i.e., 1, 5 and 10 wt\%). Additionally, the precursor Pd(II)-doped COF also displayed competitive catalytic activity for the intramolecular oxidative biaryl synthesis under acidic conditions. Both catalysts were found to be highly stable under the reaction conditions showing negligible metal leaching, non-sintering behavior, and good recyclability. To the best of our knowledge, the organic support used in this work, TpPa-1, constitutes the first COF matrix that can hold both Pd(0) nanoparticles and Pd(II) complex without aggregation for catalytic purposes under both highly acidic and basic conditions.

}, issn = {2050-7488}, doi = {10.1039/c4ta00284a}, author = {Pachfule, Pradip and Panda, Manas K. and Kandambeth, Sharath and Shivaprasad, S. M. and Diaz, David Diaz and Banerjee, Rahul} } @article { ISI:000328260200011, title = {Multi-walled CNT-induced phase behaviour of poly(vinylidene fluoride) and its electro-mechanical properties}, journal = {Journal of Materials Science}, volume = {49}, number = {1}, year = {2014}, month = {JAN}, pages = {103-113}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

A simple two-step process was used to disperse acid functionalizedmulti-walled carbon nanotubes (CNTs) in poly(vinylidene fluoride) (PVDF). While the neat solvent-cast PVDF showed coexistence of alpha- and beta-phases; the composite films exhibited only beta-phase crystals. Further studies on the crystalline behaviour, using differential scanning calorimetry and small-angle X-ray scattering techniques showed an increase in the percentage of crystalline phase with CNT. The network formed by CNTs in the matrix reduced the macroscopic electrical resistivity of composite films. The dielectric constant increased with CNT loading. Further, these composites were investigated for its electromagnetic wave absorbance (EWA) and strain sensing properties. The EWA properties were studied in the X-band (6-12 GHz) region. A maximum of similar to 37 dB reflectivity loss at similar to 9.0 GHz was obtained in a similar to 25 mu m thick PVDF film containing only 0.25 wt\% of functionalized CNT. Preliminary studies showed a systematic change in electrical resistance by the application of dynamic bending strain in nanocomposite film. The film also showed a significant improvement in mechanical stiffness owing to efficient stress transfer from matrix to filler, the property desirable for a good strain sensor. In view of the unique combination of EWA and electro-mechanical properties, the nanocomposite films are expected to serve as a multifunctional material for strain sensing in health monitoring as well as in radar absorption.

}, issn = {0022-2461}, doi = {10.1007/s10853-013-7681-2}, author = {Rath, Sangram K. and Dubey, Sachin and Kumar, G. Sudheer and Kumar, Sanjay and Patra, A. K. and Bahadur, Jitendra and Singh, A. K. and Harikrishnan, G. and Patro, T. Umasankar} } @article { ISI:000344880800003, title = {Myo-Inositol 1,3-acetals as early intermediates during the synthesis of cyclitol derivatives}, journal = {Carbohydrate Research}, volume = {399}, year = {2014}, month = {NOV}, pages = {8-14}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Synthetic sequences starting from commercially available myo-inositol necessarily involve protection-deprotection strategies of its six hydroxyl groups. Several strategies have been developed/attempted over the last several decades leading to the synthesis of naturally occurring phosphoinositols, their analogs, and cyclitol derivatives. Of late, myo-inositol 1,3-acetals, which can be obtained by the reductive cleavage of myo-inositol orthoesters have emerged as early intermediates for the synthesis of phosphorylated and other inositol derivatives. This mini-review is an attempt to illustrate the economy and convenience of using myo-inositol 1,3-acetals as early intermediates during syntheses from myo-inositol. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Acetal, Cyclitol, Inositol, Protecting group, Signal transduction}, issn = {0008-6215}, doi = {10.1016/j.carres.2014.08.010}, author = {Gurale, Bharat P. and Sardessai, Richa S. and Shashidhar, Mysore S.} } @article { ISI:000330820500057, title = {Nanocrystalline Ce doped CoFe2O4 as an acetone gas sensor}, journal = {Ceramics International}, volume = {40}, number = {1, A}, year = {2014}, month = {JAN}, pages = {447-452}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Nanocrystalline CoFe2-xCexO4 ferrites (x=0, 0.04, 0.08) were synthesized by using the inexpensive, simple and eco-friendly molten-salt (M-S) method. Effects of Ce doping on the structural, morphological and gas sensing properties of the CoFe2O4 ferrite were investigated. X-ray diffraction (XRD) analysis revealed the formation of spinel CoFe2O4. Transmission electron microscopy (TEM) investigations showed that the synthesized ferrite is made up of very fine spherical nanoparticles. Furthermore, the gas response of nanocrystalline ferrite materials was investigated in the temperature range of 200-450 degrees C toward the reducing gases like liquefied petroleum gas (LPG), acetone, ethanol and ammonia. The sensor response was found to be sensitive and selective toward acetone as compared to other reducing gases. It is observed that the addition of Ce (4 wt\%) strongly influenced the response and the operating temperature of the sensor material and thus can serve as acetone-sensing sensors. (C) 2013 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {CoFe2O4, Ferrite, Gas sensor, Molten-salt method, TEM}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2013.06.021}, author = {Khandekar, M. S. and Tarwal, N. L. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @article { ISI:000330814200017, title = {Nanodiamond particles/reduced graphene oxide composites as efficient supercapacitor electrodes}, journal = {Carbon}, volume = {68}, year = {2014}, month = {MAR}, pages = {175-184}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The paper reports on the preparation of reduced graphene oxide (rGO) modified with nanodiamond particles composites by a simple solution phase and their use as efficient electrode in electrochemical supercapacitors. The technique relies on heating aqueous solutions of graphene oxide (GO) and nanodiamond particles (NDs) at different ratios at 100 degrees C for 48 h. The morphological properties, chemical composition and electrochemical behavior of the resulting rGO/NDs nanocomposites were investigated using UV/vis spectrometry, Fourier transform infrared (FTIR) spectroscopy, Raman spectroscopy, transmission electron microscopy (TEM) and electrochemical means. The electrochemical performance, including the capacitive behavior of the rGO/NDs composites were investigated by cyclic voltammetry and galvanostatic charge/discharge curves at 1 and 2 A g(-1) in 1 M H2SO4. The rGO/ND matrix with 10/1 ratio displayed the best performance with a specific capacitance of 186 +/- 10 F g (-1) and excellent cycling stability. (C) 2013 Elsevier Ltd. All rights reserved.

}, issn = {0008-6223}, doi = {10.1016/j.carbon.2013.10.077}, author = {Wang, Qi and Plylahan, Nareerat and Shelke, Manjusha V. and Devarapalli, Rami Reddy and Li, Musen and Subramanian, Palaniappan and Djenizian, Thierry and Boukherroub, Rabah and Szunerits, Sabine} } @article { ISI:000344978200129, title = {Nanostructured donor-acceptor self assembly with improved photoconductivity}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {21}, year = {2014}, month = {NOV}, pages = {19434-19448}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nanostructured supramolecular donor-acceptor assemblies were formed when an unsymmetrical N-substituted pyridine functionalized perylenebisimide (UPBI-Py) was complexed with oligo(p-phenylenevinylene) (OPVM-OH) complementarily functionalized with hydroxyl unit and polymerizable methacrylamide unit at the two termini. The resulting supramolecular complex [UPBI-Py (OPVM-OH)](1.0) upon polymerization by irradiation in the presence of photoinitiator formed well-defined supramolecular polymeric nanostructures. Self-assembly studies using fluorescence emission from thin film samples showed that subtle structural changes occurred on the OPV donor moiety following polymerization. The 1:1 supramolecular complex showed red-shifted aggregate emission from both OPV (similar to 500 nm) and PBI (similar to 640 nm) units, whereas the OPV aggregate emission was replaced by intense monomeric emission (similar to 430 nrn) upon polymerizing the methacrylamide units on the OPVM-OH. The bulk structure was studied using wide-angle X-ray diffraction (WXRD). Complex formation resulted in distinct changes in the cell parameters of OPVM-OH. In contrast, a physical mixture of 1 mol each of OPVM-OH and UPBI-Py prepared by mixing the powdered solid samples together showed only a combination of reflections from both parent molecules. Thin film morphology of the 1:1 molecular complex as well as the supramolecular polymer complex showed uniform lamellar structures in the domain range \<10 rim. The donor-acceptor supramolecular complex [UPBI-Py (OPVM-OH)](1.0) exhibited space charge limited current (SCLC) with a bulk mobility estimate of an order of magnitude higher accompanied by a higher photoconductivity yield compared to the pristine UPBI-Py. This is a very versatile method to obtain spatially defined organization of n and p-type semiconductor materials based on suitably functionalized donor and acceptor molecules resulting in improved photocurrent response using self-assembly.

}, keywords = {donor-acceptor, hydrogen bonding, oligo(p-phenylenevinylene), Perylenebisimide, photoconductivity, supramolecular polymeric nanostructures}, issn = {1944-8244}, doi = {10.1021/am5055542}, author = {Saibal, B. and Ashar, A. Z. and Devi, R. Nandini and Narayan, K. S. and Asha, S. K.} } @article { ISI:000346643600072, title = {Negative infrared photocurrent response in layered WS2/reduced graphene oxide hybrids}, journal = {Applied Physics Letters}, volume = {105}, number = {24}, year = {2014}, month = {DEC}, pages = {243502}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

We report high performance IR photocurrent response of two-dimensional hybrid materials consisting of layered WS2 nanosheets and reduced graphene oxide (RGO). Comparative photocurrent response studies of WS2 nanosheets, RGO, and WS2/RGO hybrids were carried out by performing current-voltage (I-V) and time-dependent current measurements with a laser excitation source having a wavelength of 808 nm. The experimental investigations indicate that WS2/RGO hybrids show negative photocurrent response, whereas WS2 and RGO show positive photocurrent response. The negative photocurrent response of the WS2/RGO hybrids is explained using a band alignment diagram and attributed to a charge transfer mechanism between WS2 and RGO. This analysis is further corroborated by first-principles density functional calculations. The fabricated device based on WS2/RGO hybrids shows a photosensitivity R-lambda of about 6 AW(-1) and a quantum efficiency eta of similar to 924\%, which demonstrates high sensitivity of the hybrid material towards IR detection. WS2/RGO hybrids are therefore promising candidates for potential applications in optoelectronic circuits and low cost, high performance, and reliable photodetectors. (C) 2014 AIP Publishing LLC.

}, issn = {0003-6951}, doi = {10.1063/1.4903780}, author = {Ratha, Satyajit and Simbeck, Adam J. and Late, Dattatray J. and Nayak, Saroj K. and Rout, Chandra Sekhar} } @article { ISI:000340768000019, title = {New approach of blending polymeric ionic liquid with polybenzimidazole (PBI) for enhancing physical and electrochemical properties}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {35}, year = {2014}, month = {JUN}, pages = {14449-14458}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Although the use of ionic liquids (IL) in polymeric membranes is known to elevate the electrochemical performance for proton exchange membrane-based fuel cells (PEMFC), they suffer from drawbacks such as IL drain and lowering in mechanical properties that lead to deterioration in PEMFC performance. To mitigate these issues, we report, for the first time, the use of polymeric ionic liquid (PIL), namely, poly(diallyl dimethyl ammonium trifluoride methane sulphonate) (P[DADMA][TFMS]) to be blended with polybenzimidazole (PBI-I) as a membrane material for PEMFC. PBI-I and (P[DADMA][TFMS]) were chosen because they form miscible blends and are suitable for acid doping as a matrix, which can eventually be used as proton conductor. The structure, miscibility and inter-polymer interactions were studied by infrared (IR) spectroscopy and differential scanning calorimetry (DSC). The increase in proton conduction in comparison to the PBI membranes was observed due to the presence of ionic groups of PILs in blend membranes. With the increase in PIL content, the proton conductivity of the composite membranes gradually increased from 0.04 S cm(-1) for PBI to 0.07 S cm(-1) for the blend membrane at 150 degrees C. The MEAs were fabricated with PBI-I, PBI-PIL15, PBI-PIL25 and PBI-PIL35. Corresponding single cells were successfully tested at temperatures of 160 degrees C. The maximum power density and current density obtained were 515 mW cm(-2) and 1632 mA cm(-2), respectively, for PBI-PIL25-based MEA.

}, issn = {2050-7488}, doi = {10.1039/c4ta02184c}, author = {Rewar, Anita S. and Chaudhari, Harshal D. and Illathvalappil, Rajith and Sreekumar, K. and Kharul, Ulhas K.} } @article { ISI:000338109600007, title = {New enantioselective synthesis of the anti-parkinson agent safinamide}, journal = {Synthesis-Stuttgart}, volume = {46}, number = {13}, year = {2014}, month = {JUL}, pages = {1751-1756}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

An alternative highly enantioselective synthesis of the anti-Parkinson agent safinamide from simple, commercially available, starting materials is described. The protocol might also be useful in the synthesis of structural variants of safinamide, such as ralfinamide or related analogues

}, keywords = {Amides, medicinal chemistry, safinamide, stereoselective synthesis}, issn = {0039-7881}, doi = {10.1055/s-0033-1341104}, author = {Reddi, Anjaneyulu and Mujahid, Mohammad and Sasikumar, Murugesan and Muthukrishnan, Murugan} } @article { ISI:000334485400001, title = {New role for penicillin acylases: degradation of acyl homoserine lactone quorum sensing signals by Kluyvera citrophila penicillin G acylase}, journal = {Enzyme and Microbial Technology }, volume = {56}, year = {2014}, month = {MAR}, pages = {1-7}, publisher = {ELSEVIER SCIENCE INC}, type = {Article}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

Use of penicillin acylases for the production of semi-synthetic penicillins is well-known. Escherichia coli penicillin G acylase (EcPGA) has been extensively used for this purpose; however, Kluyvera citrophila penicillin G acylase (KcPGA) is assumed to be a better substitute, owing to its increased resilience to extreme pH conditions and ease of immobilization. In the present article we report a new dimension for the amidase activity of KcPGA by demonstrating its ability to cleave bacterial quorum sensing signal molecules, acyl homoserine lactones (AHL) with acyl chain length of 6-8 with or without oxo-substitution at third carbon position. Initial evidence of AHL degrading capability of KcPGA was obtained using CV026 based bioassay method. Kinetic studies performed at pH 8.0 and 50 degrees C revealed 3-oxo-C6 HSL to be the best substrate for the enzyme with V-max and K-m values of 21.37+0.85 mM/h/mg of protein and 0.1+0.01 mM, respectively. C6 HSL was found to be the second best substrate with V-max. and K-m value of 10.06+0.27 mM/h/mg of protein and 0.28+0.02 mM, respectively. Molecular modeling and docking studies performed on the active site of the enzyme support these findings by showing the fitting of AHLs perfectly within the hydrophobic pocket of the enzyme active site. (c) 2013 Elsevier Inc. All rights reserved.

}, keywords = {Acyl homoserine lactones, CV026, KcPGA, Quorum quenching}, issn = {0141-0229}, doi = {10.1016/j.enzmictec.2013.12.010}, author = {Mukherji, Ruchira and Varshney, Nishant Kumar and Panigrahi, Priyabrata and Suresh, C. G. and Prabhune, Asmita} } @article { ISI:000341282100018, title = {New Ru(II)/Os(II)-polypyridyl complexes for coupling to TiO2 surfaces through acetylacetone functionality and studies on interfacial electron-transfer dynamics}, journal = {Dalton Transactions}, volume = {43}, number = {36}, year = {2014}, month = {SEP}, pages = {13601-13611}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

New Ru(II)- and Os(II)-polypyridyl complexes have been synthesized with pendant acetylacetone (acac) functionality for anchoring on nanoparticulate TiO2 surfaces with a goal of developing an alternate sensitizer that could be utilized for designing an efficient dye-sensitized solar cell (DSSC). Time-resolved transient absorption spectroscopic studies in the femtosecond time domain have been carried out. The charge recombination rates are observed to be very slow, compared with those for strongly coupled dye molecules having catechol as the anchoring functionality. The results of such studies reveal that electron-injection rates from the metal complex-based LUMO to the conduction band of TiO2 are faster than one would expect for an analogous complex in which the chromophoric core and the anchoring moiety are separated with multiple saturated C-C linkages. Such an observation is rationalized based on computational studies, and a relatively smaller spatial distance between the dye LUMO and the TiO2 surface accounted for this. Results of this study are compared with those for analogous complexes having a gem-dicarboxy group as the anchoring functionality for covalent binding to the TiO2 surface to compare the role of binding functionalities on electron-transfer dynamics.

}, issn = {1477-9226}, doi = {10.1039/c4dt01571a}, author = {Banerjee, Tanmay and Biswas, Abul Kalam and Sahu, Tuhin Subhra and Ganguly, Bishwajit and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000340537000016, title = {New yeast isolate Pichia caribbica synthesizes xylolipid biosurfactant with enhanced functionality}, journal = {European Journal of Lipid Science and Technology}, volume = {116}, number = {8}, year = {2014}, month = {AUG}, pages = {1070-1079}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Sophorolipids (SL) belong to a class of glycolipidic biosurfactants suitable for a wide range of applications. The structural diversity in SL gives rise to variation in physicochemical and biological properties. To achieve the less explored head group diversity in sophorolipid structure, a new xylose fermenting yeast Pichia caribbica has been employed for biosurfactant production. The media and fermentation parameters have been optimized to achieve maximum yield of 7.48 g/L. The physicochemical properties of the xylolipid biosurfactant have been assessed. It reduced the surface tension of distilled water from 70 to 35.9 mN/m with the low critical micellar concentration (CMC) 1.0 mg/L as compared to typical SL (reported CMC range 40-100 mg/L). Structural characterization was done using FTIR and HR-MS to identify the structure. 17-L-[(beta-D-xylopyranosyl)-oxy]-Delta 9-heptadecanoic acid correlated to m/z 415 majorly constituted the product. Control experiment was performed in which glucose was provided as the hydrophilic carbon. This product was also subjected to HR-MS analysis to determine its chemical nature and found to be different from xylolipid. Presence of xylose as head group was anticipated to give altered physicochemical and biological activities and indeed a low CMC value and better inhibitory action was demonstrated against Staphylococcus aureus. Practical applications: Sophorolipids produced by microbial sources have several advantageous properties over commercial petroleum-based surfactants including biodegradability, environmentally friendly nature, and low toxicity. Here, we have attempted to modify the hydrophilic head group by incorporating xylose in place of glucose. This molecule will also behave differently in response to different stimuli. Stimuli-responsive surfactants are a class of compounds with applications in stabilization of emulsions, suspensions or foams, drug encapsulation and delivery, hard-surface cleaning, personal care applications.

}, keywords = {Antibacterial action, Critical micelle concentration, Pichia caribbica, Sophorolipid, Xylolipid}, issn = {1438-7697}, doi = {10.1002/ejlt.201300363}, author = {Joshi-Navare, Kasturi and Singh, Pradeep Kumar and Prabhune, Asmita} } @article { ISI:000331819800001, title = {Non-coding RNA interact to regulate neuronal development and function}, journal = {Frontiers in Cellular Neuroscience}, volume = {8}, year = {2014}, month = {FEB}, pages = {47}, publisher = {FRONTIERS RESEARCH FOUNDATION}, address = {PO BOX 110, LAUSANNE, 1015, SWITZERLAND}, abstract = {

The human brain is one of the most complex biological systems, and the cognitive abilities have greatly expanded compared to invertebrates without much expansion in the number of protein coding genes. This suggests that gene regulation plays a very important role in the development and function of nervous system, by acting at multiple levels such as transcription and translation. In this article we discuss the regulatory roles of three classes of non-protein coding RNAs (ncRNAs)-microRNAs (miRNAs), piwi-interacting RNA (piRNAs) and long-non-coding RNA (lncRNA), in the process of neurogenesis and nervous function including control of synaptic plasticity and potential roles in neurodegenerative diseases. miRNAs are involved in diverse processes including neurogenesis where they channelize the cellular physiology toward neuronal differentiation. miRNAs can also indirectly influence neurogenesis by regulating the proliferation and self renewal of neural stem cells and are dysregulated in several neurodegenerative diseases. miRNAs are also known to regulate synaptic plasticity and are usually found to be co-expressed with their targets. The dynamics of gene regulation is thus dependent on the local architecture of the gene regulatory network (GRN) around the miRNA and its targets. piRNAs had been classically known to regulate transposons in the germ cells. However, piRNAs have been, recently, found to be expressed in the brain and possibly function by imparting epigenetic changes by DNA methylation. piRNAs are known to be maternally inherited and we assume that they may play a role in early development. We also explore the possible function of piRNAs in regulating the expansion of transposons in the brain. Brain is known to express several lncRNA but functional roles in brain development are attributed to a few lncRNA while functions of most of the them remain unknown. We review the roles of some known lncRNA and explore the other possible functions of lncRNAs including their interaction with miRNAs.

}, keywords = {gene expression regulation, lncRNA, miRNA, network-motifs, piRNA}, issn = {1662-5102}, doi = {10.3389/fncel.2014.00047}, author = {Iyengar, Bharat R. and Choudhary, Ashwani and Sarangdhar, Mayuresh A. and Venkatesh, K. V. and Gadgil, Chetan J. and Pillai, Beena} } @article { ISI:000345641400039, title = {Non-uniform early structural response of globular proteins to cold denaturing conditions: a case study with Yfh1}, journal = {Journal of Chemical Physics}, volume = {141}, number = {20}, year = {2014}, month = {NOV}, pages = {205103}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

The mechanism of cold denaturation in proteins is often incompletely understood due to limitations in accessing the denatured states at extremely low temperatures. Using atomistic molecular dynamics simulations, we have compared early (nanosecond timescale) structural and solvation properties of yeast frataxin (Yfh1) at its temperature of maximum stability, 292 K (T-s), and the experimentally observed temperature of complete unfolding, 268 K (T-c). Within the simulated timescales, discernible {\textquoteleft}{\textquoteleft}global{\textquoteright}{\textquoteright} level structural loss at T-c is correlated with a distinct increase in surface hydration. However, the hydration and the unfolding events do not occur uniformly over the entire protein surface, but are sensitive to local structural propensity and hydrophobicity. Calculated infrared absorption spectra in the amide-I region of the whole protein show a distinct red shift at T-c in comparison to T-s. Domain specific calculations of IR spectra indicate that the red shift primarily arises from the beta strands. This is commensurate with a marked increase in solvent accessible surface area per residue for the beta-sheets at T-c. Detailed analyses of structure and dynamics of hydration water around the hydrophobic residues of the beta-sheets show a more bulk water like behavior at T-c due to preferential disruption of the hydrophobic effects around these domains. Our results indicate that in this protein, the surface exposed beta-sheet domains are more susceptible to cold denaturing conditions, in qualitative agreement with solution NMR experimental results. (C) 2014 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4901897}, author = {Chatterjee, Prathit and Bagchi, Sayan and Sengupta, Neelanjana} } @article { ISI:000348013600024, title = {Novel synthesis and characterization of CuO nanomaterials: biological applications}, journal = {Chinese Chemical Letters}, volume = {25}, number = {12}, year = {2014}, month = {DEC}, pages = {1615-1619}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

CuO nanoparticles were synthesized at a relatively low temperature (80 degrees C) for 2 h using polyethylene glycol-glycerol mixture which acts as a capping agent. A detailed characterization of the synthesized nanomaterials were performed utilizing X-ray diffraction (XRD), infra-red spectroscopy (IR), thermogravimetric analysis (TGA-DTA), transmission electron microscopy (TEM), photoluminescence (PL) by studying its crystalline phase, vibrational mode, thermal analysis, morphology and photoluminescence properties. The effect of annealing on the as-prepared nanoparticles were studied and compared with their corresponding bulk counterpart. The synthesized nanoparticles have been screened for in vitro cytotoxicity (IC50) studies against the human cervical adenocarcinoma cell line (HeLa) using MTT assay methods. The as-prepared nanoparticle inhibits the proliferation of this HeLa cell. The standard disc diffusion method has been used to study the antibacterial activity of the samples against the human pathogenic bacteria Escherichia coli (MTCC 729), Proteus mirabilis (MTCC 425) and Klebsiella pneumoniae subsp. pneumoniae (MTCC 432). The results have been compared with the positive control antibiotic gentamycin. The synthesized nanoparticles would provide a potential alternative to antibiotics for controlling some of the microorganisms causing urolithiasis. (C) 2014 Meitram Niraj Luwang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

}, keywords = {Annealing, Antibacterials, CuO nanoparticles, Cytotoxicity, HeLa cell lines}, issn = {1001-8417}, doi = {10.1016/j.cclet.2014.07.014}, author = {Devi, Ayekpam Bimolini and Moirangthem, Dinesh Singh and Talukdar, Narayan Chandra and Devi, M. Damayanti and Singh, N. Rajen and Luwang, Meitram Niraj} } @article { ISI:000341513700006, title = {Nucleophilic ring-opening of benzoxazinones by dbu: some observations}, journal = {Synthetic Communications}, volume = {44}, number = {20}, year = {2014}, month = {AUG}, pages = {2955-2960}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

This communication demonstrates the formation of an unusual nucleophilic ring opening of benzoxazinones by 1,8-diazabicycloundec-7-ene (DBU). This observation contradicts the intrinsic feature of a hindered nonnucleophilic base like DBU. Confirmation of the product was achieved via single-crystal X-ray diffraction studies.

}, keywords = {Benzoxazinones, caprolactam, DBU, HATU}, issn = {0039-7911}, doi = {10.1080/00397911.2014.910529}, author = {Baravkar, Sachin B. and Roy, Arup and Gawade, Rupesh L. and Puranik, Vedavati G. and Sanjayan, Gangadhar J.} } @article { ISI:000341619600016, title = {Observation of the marcus inverted region for bimolecular photoinduced electron-transfer reactions in viscous media}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {36}, year = {2014}, month = {SEP}, pages = {10704-10715}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The general observation of Marcus inverted region (MIR) for bimolecular electron-transfer (ET) reactions in different viscous media, e.g., micelles, reverse micelles, vesicles, ionic liquids, DNA scaffold, etc. has been doubted in some recent publications arguing limitations in SternVolmer (SV) analysis to account for the static and transient stages of quenching in these slow diffusing media. Thus, following a theoretical treatment based on a spherically symmetric diffusion equation coupled with conventional Marcus ET description, it has been suggested that the MIR observed in viscous media arises due to the inadequate consideration of different quenching regimes and also due to the differential excited-state lifetimes of the fluorophores used than a genuine one (J. Am. Chem. Soc. 2012, 134, 11396). However, the overall treatment in this study is severely compromised by setting the minimum solvent reorganization energy (?s) to (lambda) to similar to 0.96 eV while fitting the experimental data, which unambiguously suggests that the inversion in ET rate will never appear in the exergonicity (-Delta G(0)) range of 0.16 to 0.71 eV, as is the case for the studied ET systems. Besides, the applicability of the conventional Marcus ET model (instead of Sumi-Marcus two-dimensional ET model) in such extremely viscous media with exceptionally slow solvent response is highly debatable and perhaps is the main cause of the failure in fitting the experimental data quite satisfactorily. In the present study involving ultrafast ET quenching for coumarin derivatives by dimethylaniline donor in viscous ionic liquid media, we demonstrate clear MIR for the intrinsic ET rates, directly obtained from the ultrafast decay components of 110 ps, a time scale in which diffusion of reactants is negligible and the ET rates are either faster than or, at the most, competitive with the solvent reorganization. The appearance of MIR at ?Delta G(0) similar to-0.5 eV, significantly lower than expected from the lambda(s) value, further substantiate the nonapplicability of conventional ET description but certainly advocate for the applicability of the SumiMarcus two-dimensional ET model in such media. Moreover, no obvious correlation has experimentally been observed between the excited-state lifetimes of the coumarin derivatives and the ET rates for a large number of dyes used in the present study. On the basis of the present results and drawing inferences from reported literatures in viscous media, we conclude that not only is the appearance of MIR very genuine but also the mechanistic model necessary to account the observed facts for the bimolecular ET reactions in a viscous medium is the two-dimensional ET description, which deals with an extremely slow relaxing solvent coordinate and a fast relaxing intramolecular coordinate to describe the ET reactions.

}, issn = {1520-6106}, doi = {10.1021/jp506885r}, author = {Kumbhakar, Manoj and Manna, Arpan and Sayed, Mhejabeen and Kumar, Anil and Pal, Haridas} } @article { ISI:000344458100024, title = {One molecule of ionic liquid and tert-alcohol on a polystyrene-support as catalysts for efficient nucleophilic substitution including fluorination}, journal = {Organic \& Biomolecular Chemistry}, volume = {12}, number = {45}, year = {2014}, month = {OCT}, pages = {9264-9271}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The tert-alcohol and ionic liquid solvents in one molecule [mim-(OH)-O-t][OMs] was immobilized on polystyrene and reported to be a highly efficient catalyst in aliphatic nucleophilic substitution using alkali metal salts. Herein, we investigated the catalytic activity of a new structurally modified polymer-supported tert-alcohol functionalized imidazolium salt catalyst in nucleophilic substitution of 2-(3-methanesulfonyl-oxypropyoxy) naphthalene as a model substrate with various metal nucleophiles. The tert-alcohol moiety of the ionic liquid with a hexyl chain distance from polystyrene had a better catalytic activity compared to the other resin which lacked an alkyl linker and tert-alcohol moiety. We found that the maximum [mim-(OH)-O-t][OMs] loading had the best catalytic efficacy among the tested polystyrene-based ionic liquids (PSILs) in nucleophilic fluorination. The catalytic efficiency of the PS[him-(OH)-O-t][OMs] as a phase transfer catalyst (PTC) was determined by carrying out various nucleophilic substitutions using the corresponding alkali metal salts from the third to sixth periodic in CH3CN or tert-BuOH media. The scope of this protocol with primary and secondary polar substrates containing many heteroatoms is also reported. This PS [him-(OH)-O-t][OMs] catalyst not only enhances the reactivity of alkali metal salts and reduces the formation of by-products but also affords high yield with easy isolation.

}, issn = {1477-0520}, doi = {10.1039/c4ob01781a}, author = {Shinde, Sandip S. and Patil, Sunil N.} } @article { ISI:000338748400051, title = {One-pot synthesis of 5-hydroxymethylfurfural by cellulose hydrolysis over highly active bimodal micro/mesoporous H-ZSM-5 catalyst}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {2}, number = {7}, year = {2014}, month = {JUL}, pages = {1928-1932}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Direct synthesis of 5-hydroxymethylfurfural (5-HMF), a useful renewable biofuel and biochemical, was systematically studied by hydrolysis of microcrystalline cellulose over Bimodal-HZ-5 zeolite. Bimodal-HZ-5 zeolite obtained by post-synthesis modification of H-ZSM-5 with desilication was found to be a potential heterogeneous catalyst with 67\% cellulose conversion and 46\% yield of 5-HMF. Bimodal-HZ-5 was observed to be reusable for four cycles, without any loss in activity. The detailed optimization of process parameters and catalyst reusability are also presented. The present study opens a new avenue for the renewable one-pot synthesis of 5-HMF, a valuable product.

}, keywords = {5-Hydroxymethylfurfural, Biomodal-HZ-5, glucose, Hydrolysis, Microcrystalline cellulose}, issn = {2168-0485}, doi = {10.1021/sc500270z}, author = {Nandiwale, Kakasaheb Y. and Galande, Nitish D. and Thakur, Pratika and Sawant, Sanjay D. and Zambre, Vishal P. and Bokade, Vijay V.} } @article { ISI:000328606500014, title = {One-pot synthesis of cyclic carbonates from aldehydes, sulfur ylide, and CO2}, journal = {Synlett}, volume = {25}, number = {1}, year = {2014}, month = {JAN}, pages = {97-101}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Treatment of aldehydes with sulfur ylide (CH2=SOMe2 or CH2=SMe2), in the presence of CO2 (1 atm) bubbled sequentially under mild conditions, produces cyclic carbonates in preparative yields. Sodium iodide formed in situ promotes the reaction between epoxide as intermediate and CO2 at ambient conditions, thus constituting a powerful metal-free synthesis of organic cyclic carbonates directly from aldehydes.

}, keywords = {Carbon dioxide, cyclic carbonates, cyclization, epoxides, Insertion}, issn = {0936-5214}, doi = {10.1055/s-0033-1340072}, author = {Aher, Ravindra D. and Kumar, B. Senthil and Sudalai, Arumugam} } @article { ISI:000337785400041, title = {Organic soluble and uniform film forming oligoethylene glycol substituted BODIPY small molecules with improved hole mobility}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {26}, year = {2014}, month = {MAY}, pages = {13376-13382}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Judiciously chosen side chains of conjugated molecules have a positive impact on charge transport properties when used as the active material in organic electronic devices. Amongst the side chains, oligoethylene glycols (OEGs) have been relatively unexplored due to their hydrophilic nature. OEGs also affect the smooth film formation of conjugated molecules, which preclude device fabrication. However, X-ray diffraction studies have shown that OEGs facilitate intermolecular contact, which is a desirable property for the fabrication of organic electronic devices. Thus the challenge is to design and synthesize organic solvent soluble and uniform film forming conjugated molecules with OEG side chains. We have designed and synthesized conjugated small molecules (CSMs) comprising BODIPY as acceptor and triphenylamine as donor with an OEG side chain. This molecule forms smooth films when processed from organic solvents. In order to understand the impact of the OEG side chain, we have also synthesized alkyl chain analogs. All the molecules exhibit exactly the same HOMO and LUMO energy levels, but the packing in the solid state is different. CSM with methyl side chains exhibit an inter planar distance of 4.15 A. Contrary to this, the OEG side chain containing CSM showed an inter planar spacing of 4.30 A, which is 0.2 A less than the alkyl side chain comprising CSMs. Please note that the length of the hydrophobic and hydrophilic side chains is the same. Interestingly, the OEG side chain comprising CSM showed two orders of higher hole carrier mobilities compared to all the other derivatives. The same molecule also showed an extremely low threshold voltage of -0.27 V indicating the OEG side chains{\textquoteright} favourable interaction between substrate as well as between molecules.

}, issn = {1463-9076}, doi = {10.1039/c4cp01098a}, author = {Singh, Saumya and Venugopalan, Vijay and Krishnamoorthy, Kothandam} } @article { ISI:000341288500041, title = {Overview of the recent developments on Hg2+ recognition}, journal = {RSC Advances}, volume = {4}, number = {68}, year = {2014}, month = {JUN}, pages = {36140-36174}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Adverse influences of mercury on living organisms are well known. Despite efforts from various regulatory agencies, the build-up of Hg2+ concentration in the environment is of serious concern. This necessitates the search for new and efficient reagents for recognition and detection of Hg2+ in environmental samples as well as for application in diagnostics. Among various detection processes adopted for designing such reagents, generally methodologies that allow associated changes in spectra properties are preferred for the obvious ease in the detection process. Significant changes in the electronic spectral pattern in the visible region of the spectrum also induce detectable changes in solution colour for naked-eye detection and are useful for developing reagents for in-field sample analysis with yes-no type binary responses. However, reagents that allow detection of Hg2+ with associated fluorescence on response are useful for detection of Hg2+ in environmental samples, as well as for use as an imaging reagent, for detection of cellular uptake. High spin-orbit coupling constant for Hg2+ along with its high solvation energy in aqueous medium poses a challenge in developing efficient reagents with fluorescence on response that work in aqueous medium/physiological condition. To get around this problem, several methodologies, like conversion of rhodamine derivative spirolactam to strongly fluorescent xanthenes that form on binding to Hg2+, chemodosimetric reaction for generation of a new luminescent derivative, have been adopted. Apart from these, modified charge transfer processes on binding to Hg2+ have also been utilized for designing reagents for optical detection of Hg2+. Immobilization of such reagents on solid surfaces also led to the development of self-indicating Hg2+ ion scavengers. All such examples are discussed in the present review.

}, issn = {2046-2069}, doi = {10.1039/c4ra03594a}, author = {Mahato, Prasenjit and Saha, Sukdeb and Das, Priyadip and Agarwalla, Hridesh and Das, Amitava} } @article { ISI:000337000400508, title = {Permeation of lipidated protein in bilayer using unbiased simulations reveals signature motif for protein-membrane binding}, journal = {Biophysical Journal}, volume = {106}, number = {2, 1}, year = {2014}, note = {58th Annual Meeting of the Biophysical-Society, San Francisco, CA, FEB 15-19, 2014}, month = {JAN}, pages = {99A}, publisher = {Biophys Soc}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Thukral, Lipi and Sengupta, Durba and Gokhale, Rajesh S.} } @article { ISI:000340208400025, title = {Phosphine free SBA-15-EDTA-Pd highly active recyclable catalyst: synthesis characterization and application for suzuki and sonogashira reaction}, journal = {Catalysis Science \& Technology}, volume = {4}, number = {9}, year = {2014}, month = {AUG}, pages = {2978-2989}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Phosphine obstructed highly efficient and reusable SBA-15-EDTA-Pd(11) has been synthesized by anchoring a Pd-EDTA complex over the surface of organo-functionalized SBA-15. The physiochemical properties of the organo-functionalized catalyst were analyzed by elemental analysis, ICP-OES, XRD, N-2 sorption measurement isotherms, TGA and DTA, solid state C-13, Si-29 NMR spectroscopy FT-IR, XPS DRS UV-visible, SEM and TEM. The XRD and N-2 sorption analyses of the synthesized catalyst confirm that the ordered mesoporous channel structure was retained even after the multistep synthetic procedures. The (100), (110) and (200) reflections in SBA-15 provide a good structural stability, an the existence of a long range order and high pore wall thickness. The TGA-DTA results reveal that the thermal stability of the synthesized catalyst SBA-15-EDTA-Pd(11) was maintained at higher temperature. The organic moieties anchored over the surface of the SBA-15 and inside the pore wall were demonstrated by solid state C-13 NMR and FT-IR spectroscopy. Further, solid state Si-29 NMR spectroscopy provides information about the degree of functionalization of the surface silanol groups, of the SBA-15 with organic moieties. The electronic environment and oxidation state of the Pd metal in the SBA-15-EDTA-Pd(11) were monitored by XPS, and DRS UV-visible techniques. Moreover, the morphologies and topographic information of the synthesized catalyst were confirmed by SEM and TEM spectroscopy. The synthesized catalyst SBA-15-EDTA-Pd(11) was screened for the Suzuki and Sonogashira coupling reactions and shows a higher catalytic activity with higher TON (turn over number). The anchored solid catalyst can be recycled efficiently and reused five times, without a major loss in the reactivity.

}, issn = {2044-4753}, doi = {10.1039/c4cy00144c}, author = {Sharma, Priti and Singh, A. P.} } @article { ISI:000343686500039, title = {Photocatalytic metal-organic framework from cds quantum dot incubated luminescent metallohydrogel}, journal = {Journal of the American Chemical Society}, volume = {136}, number = {42}, year = {2014}, month = {OCT}, pages = {14845-14851}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Cadmium sulfide (CdS) quantum dots (\<10 nm in size) have been successfully synthesized in situ without any capping agent in a Zn(II)-based low-molecular-weight metallohydrogel (ZAVA). Pristine ZAVA hydrogel shows blue luminescence, but the emission can be tuned upon encapsulation of the CdS quantum dots. Time-dependent tunable emission (white to yellow to orange) of the CdS incubated gel (CdS@ZAVA gel) can be attributed to sluggish growth of the quantum dots inside the gel matrix. Once CdS quantum dots are entrapped, their augmentation can be stopped by converting the gel into xerogel, wherein the quantum dots remains embedded in the solid xerogel matrix. Similar size stabilization of CdS quantum dots can be achieved by means of a unique room-temperature conversion of the CdS incubated ZAVA gel to CdS incubated MOF (CdS@ZAVCl) crystals. This in turn arrests the tunability in emission owing to the restriction in the growth of CdS quantum dots inside xerogel and MOF. These CdS embedded MOFs have been utilized as a catalyst for water splitting under visible light.

}, issn = {0002-7863}, doi = {10.1021/0509019k}, author = {Saha, Subhadeep and Das, Gobinda and Thote, Jayshri and Banerjee, Rahul} } @article { ISI:000332999800006, title = {Photoelectrochemical splitting of water with nanocrystalline Zn1-xMnxO thin films: first-principle DFT computations supporting the systematic experimental endeavor}, journal = {International Journal of Hydrogen Energy}, volume = {39}, number = {8}, year = {2014}, month = {MAR}, pages = {3637-3648}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Photoelectrochemical splitting of water with nanocrystalline Zn1-xMnxO thin films was investigated. ZnO thin films with 1, 3, 5 and 7\% at. Mn incorporation were synthesized by sol gel method and characterized by X-Ray Diffraction (XRD) analysis, Scanning Electron Microscopy (SEM), Atomic Force Microscopy (AFM), X-ray Photoelectron spectroscopy (XPS), High Resolution Transmission Electron Microscopy (HR-TEM) and UV-Vis spectroscopy. Mn incorporation coupled with variation in sintering temperature led to significant microstructural changes, which tentatively influenced the magnitude of optical absorption and charge carrier mobility, thereby impacting the performance of such systems towards photoelectrochemical splitting of water. Electronic structure computations based on first principle density functional theory (DFT) revealed electronic states of Mn being responsible for the marginally recorded red shift in bandgap energy. Photoelectrochemical measurements using thin films of 1\% at. Mn:ZnO sintered at 600 degrees C yielded 3 times enhanced photocurrent at zero bias due to improved optical absorption. Plausible explanations for the effect have also been offered. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Density functional theory, Hydrogen energy, Mn doped ZnO, Optical properties, Photoelectrochemical water splitting}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2013.12.150}, author = {Sharma, Vidhika and Dixit, Mudit and Satsangi, Vibha R. and Dass, Sahab and Pal, Sourav and Shrivastav, Rohit} } @article { ISI:000341287200041, title = {Photophysical, bandstructural, and textural properties of o-FeNbO4 in relation to its cocatalyst-assisted photoactivity for water oxidation}, journal = {RSC Advances}, volume = {4}, number = {63}, year = {2014}, month = {JUL}, pages = {33435-33445}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this study, a relationship between physicochemical, photophysical and photocatalytic properties of hydrothermally synthesized orthorhombic iron niobate (FeNbO4) is investigated. o-FeNbO4 displayed a multi-regime optical absorbance, which was ascribed to at least two distinct phenomena: (i) bandgap (similar to 3.4 eV) excitation giving rise to UV absorbance and (ii) energy transitions involving disorder-induced sub-bandgap donor or acceptor states leading to visible light absorbance. The preparation-dependent distortion in the crystal lattice and the existence of closely spaced inter-bandgap energy states were corroborated by powder X-ray diffraction, photoluminescence, thermoluminescence, and Raman spectroscopy studies. The first principles electronic structure elucidation and photoelectrochemical measurements supported a wide bandgap for FeNbO4, in contrast to the narrow bandgap reported previously. Correspondingly, a small photocurrent density was observed for FeNbO4 (similar to 2 to 3 mu A cm(-2)) under 1 sun illumination, suggesting the availability of a smaller cross section of photogenerated charge pairs. Following these band characteristics, while no H-2 evolution was observed, FeNbO4 gave rise to particle size-dependent O-2 evolution during visible light irradiation of water in the presence of electron scavengers, the samples loaded with NiO as cocatalyst showing better activity. Further, the transmission electron microscopy examination revealed the dominant exposure of (011) facets of FeNbO4, besides a significant heterogeneity of inter-domain boundaries. Overall, our results confirm that the photoactivity of metal/oxide nanocomposites is governed by a combination of factors, such as: grain morphology, microstructure, surface adsorption states, and the localized inter-bandgap energy states. Our study also reveals that, in contrast to prevalent assumptions, the wavelength at the absorption edge may not represent the true band-to-band energy gap of metal oxide semiconductors, which is relevant to their photocatalytic activity.

}, issn = {2046-2069}, doi = {10.1039/c4ra06059h}, author = {Babu, Robin and Kelkar, Sarika A. and Kashid, Vikas and Achary, Srungarpu N. and Salunke, Hemant G. and Gupta, Narendra M.} } @article { ISI:000325450600001, title = {Photopolymerization of high internal phase emulsions based on 2-ethylhexyl (meth)acrylates and ethylene glycol dimethacrylate}, journal = {Designed Monomers and Polymers}, volume = {17}, number = {1}, year = {2014}, month = {JAN}, pages = {1-6}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Photopolymerization of high internal phase emulsions based on 2-ethylhexyl (meth)acrylates and ethylene glycol dimethacrylate was carried out in presence of low concentration of different photoinitiators. The stable emulsions obtained by mixing with individual photoinitiators were subjected to low-intensity photopolymerization under UV-Visible lamp. Identical samples were irradiated for differing periods ranging from 2 to 10min at an interval of 2min. The percentage conversions of each monomer in the compositions with respect to the time of irradiation were determined using gas chromatography. It was observed that the formulations containing IRGACURE 819 showed the highest conversion while that containing IRGACURE 2959 showed the least conversion. The former showed high conversion due to the proximity of the absorption maxima of photoinitiator to the major emission line of mercury spectrum at 365nm while the latter showed least conversion due to non-availability of major absorption maxima within the irradiation range.

}, keywords = {(meth)acrylates, high internal phase emulsion, Photopolymerization, residual monomer analysis}, issn = {1385-772X}, doi = {10.1080/15685551.2013.771312}, author = {Harikrishna, Reghunathan and Shaikh, A. W. and Ponrathnam, S. and Rajan, C. R. and Bhongale, Sunil Sitaram} } @article { ISI:000337617500028, title = {Plasmon-enhanced photocurrent generation from click-chemically modified graphene}, journal = {Chemistry-A European Journal}, volume = {20}, number = {24}, year = {2014}, month = {JUN}, pages = {7402-7409}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The visible-light response of Au nanoparticles (AuNPs) assembled on rGO through different molecular bridges was investigated by transient photocurrent generation. We prepared rGO with two self-assembled monolayers (SAMs), one linear and the other with aromatic triazoles through a click cycloaddition reaction. A fivefold photocurrent enhancement was observed for triazole linkers over the aminopropyltrimethoxysilane (APTMS) linker. Cyclic voltammetry (CV) and impedance measurements also suggest fast electron transfer on account of the low resistance offered by the click-modified rGO surface whereby introduction of triazoles offers the efficient bridge between the donor AuNPs and acceptor rGO.

}, keywords = {Gold, graphene, Nanoparticles, photophysics, surface plasmon resonance}, issn = {0947-6539}, doi = {10.1002/chem.201400403}, author = {Yenchalwar, Sandeep G. and Devarapalli, Rami Reddy and Deshmukh, Ashvini B. and Shelke, Manjusha V.} } @article {46364, title = {Polarization switching characteristics of 0.5BaTi(0.8)Zr(0.2)O(3)-0.5Ba(0.7)Ca(0.3)TiO(3) lead free ferroelectric thin films by pulsed laser deposition}, journal = {JOURNAL OF APPLIED PHYSICS}, volume = {115}, year = {2014}, month = {APR }, pages = {154102}, type = {Article}, abstract = {

We report on the ferroelectricity for morphotropic-phase-boundary lead (Pb) free 0.5BaTi(0.8)Zr(0.2)O(3)-0.5Ba(0.7)Ca(0.3)TiO(3) (0.5BZT-0.5BCT) thin films. Thin films were grown on Pt/Ti/SiO2/Si substrate using pulsed laser deposition. Raman spectroscopic data combined with the X-ray diffraction analyses confirm body centered tetragonal crystallographic structure 0.5BZT-0.5 BCT thin films on Pt/Ti/SiO2/Si. Polarization studies demonstrate that these 0.5BZT-0.5BCT films exhibit a large remnant and saturation polarization of 37 mu C/cm(2) and 40 mu C/cm(2), respectively, with a coercive field of 140 kV/cm. A correlation between polarization dynamics, structural distortion, and phonon vibration is established. The splitting of X-ray diffraction peak of the thin film in the 2 theta range of 44.5 degrees to 46.5 degrees represents high degree of tetragonality. The tetragonality factor calculated by Rietveld analysis was found to be 0.006 and can be a major cause for the increased remnant polarization value. It is established from Raman spectra that the non-centrosymmetricity due to the displacement of Ti/Zr ions from its octahedral position is related to the peak position as well as the broadening of the A(1) (LO) optical phonon mode. This increase of broadness in the thin film causes an increase in the dipole moment of the unit cell and, hence, the net increase in polarization values. (C) 2014 AIP Publishing LLC.

}, issn = {0021-8979}, doi = {10.1063/1.4871673}, author = {Kolekar, Y. D. and Bhaumik, A. and Shaikh, P. A. and Ramana, C. V. and Ghosh, K.} } @article { ISI:000330822000009, title = {Polystyrene/TiO2 composite electrospun fibers as fillers for poly(butylene succinate-co-adipate): Structure, morphology and properties}, journal = {European Polymer Journal}, volume = {50}, year = {2014}, month = {JAN}, pages = {78-86}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In this work, composite polystyrene/titanium dioxide (PS/TiO2) electrospun fibers were used as a reinforcement for a poly(butylene succinate-co-adipate) (PBSA) matrix. The structure, morphology, mechanical properties and degradation behavior of such materials were investigated, finding that, as a function of their TiO2 content, the fibers exerted different effects. The main mechanism through which the fibers modified the structure and morphology of the polymer matrix is by altering its crystallization kinetics. The presence of TiO2 modified the roughness of the fibers and therefore affected the interfacial adhesion between the filler and the matrix. The modulus of PBSA was improved, even though the brittleness of the materials was increased by the presence of the fibers. Different amounts of TiO2 within the fibers allowed to tune the hydrolytic degradation rate of the composites. This paper shows the potential of using composite electrospun fibers as effective fillers for the preparation of polymer-based composites. (C) 2013 Elsevier Ltd. All rights reserved.

}, keywords = {Biodegradable polymers, Degradation, electrospinning, Morphology, Nanocomposites, Polycaprolactone}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2013.11.002}, author = {Neppalli, Ramesh and Causin, Valerio and Benetti, Edmondo Maria and Ray, Suprakas Sinha and Esposito, Antonella and Wanjale, Santosh and Birajdar, Mallinath S. and Saiter, Jean-Marc and Marigo, Antonio} } @article {46395, title = {Post-synthetically modified porous covalent framework (PCF) for high proton conduction}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C1156}, type = {Meeting Abstract}, keywords = {Porous Covalent Framework, Post-synthetic Modification, proton conduction}, issn = {2053-2733}, author = {Samanta, Partha and Desai, Aamod and Anothumakkool, Bihag and Shirolkar, Mandar and Karmakar, Avishek and Kurungot, Sreekumar and Ghosh, Sujit} } @article { ISI:000345826100018, title = {Preferential growth of Au on CdSe quantum dots using langmuir-blodgett technique}, journal = {RSC Advances}, volume = {4}, number = {110}, year = {2014}, month = {NOV}, pages = {64535-64541}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Oleyl amine capped CdSe quantum dots (QD) were synthesised by hot injection technique. These QDs formed a self-assembled monolayer on an aqueous subphase of a Langmuir-Blodgett (LB) trough. Here, in this report we introduced a simple but very efficient route to form a metal (Au)-QD hybrid nanostructure via the LB technique. In this method, the metal counterpart of the hybrid nanostructure could be deposited exclusively on one side of the QDs. The formation of stable monolayer of QDs was evidenced from a surface pressure-area (P-A) isotherm. The development of gold tip was confirmed and monitored by detailed TEM study on the monolayer deposited on TEM grids from the LB trough. Other characterizations like UV-Vis spectroscopy, FTIR, XPS and EDX also suggested the same. Oleyl amine was shown to act both as a reducing agent as well as a capping agent in this strategy.

}, issn = {2046-2069}, doi = {10.1039/c4ra11715h}, author = {Das, Subhasis and Satpati, Biswarup and Chauhan, Himani and Deka, Sasanka and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000342525100047, title = {Preparation and characterization of porous fly ash/NiFe2O4 composite: promising adsorbent for the removal of congo red dye from aqueous solution}, journal = {Materials Chemistry and Physics}, volume = {148}, number = {1-2}, year = {2014}, month = {NOV}, pages = {371-379}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

A series of fly ash/NiFe2O4 composites were prepared using fly ash and aqueous solutions of Ni, Fe nitrate salts and NaOH by co-precipitation followed by calcination method. The \% mass ratio of fly ash: NiFe2O4 was varied in the range of 0:100 to 100:0. Samples were characterized by powder XRD, SEM, FTIR and N-2 adsorption-desorption measurements. These samples were further evaluated for their adsorptive performance in removal of Congo red (CR) dye from an aqueous solution. In all the composites, spinel nickel ferrite phase was found to be capable to get anchored with the fly ash surface and exhibited more crystalline nature as compared to pure NiFe2O4 phase. The BET surface area and porous character of the composite were found to increase with the decrease in the contribution of the fly ash, reach to maximum and then decreases on further decrease in fly ash. The composite having \% mass ratio of fly ash: NiFe2O4 = 50:50 exhibited maximum CR adsorption from the aqueous solution on account of the higher BET surface area, more porous character, favorable condition for diffusion of dye molecules and combined effect of chemisorption and physisorption. Under optimum conditions, it has shown the recyclability with adsorption capacity of the magnitude 23.33 mg g(-1), which is much higher than individual fly ash, NiFe2O4 and other composites. The sorption data provided good fit with pseudo-second order kinetic model. The analyses of the adsorption data indicated that, the Langmuir model provides better correlation with the experimental data. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Adsorption, Composite material, Electron microscopy (SEM), Inorganic compounds, powder diffraction, Precipitation}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2014.07.057}, author = {Sonar, Shilpa K. and Niphadkar, Prashant S. and Mayadevi, S. and Joshi, Praphulla N.} } @article { ISI:000332485000048, title = {Probing the folding induction ability of orthanilic acid in peptides: some observations}, journal = {RSC Advances}, volume = {4}, number = {25}, year = {2014}, month = {JAN}, pages = {13018-13025}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This paper describes the ability of orthanilic acid (2-aminobenzenesulfonic acid, (S)Ant) to promote folding when introduced in a peptide sequence. Three peptide sequences, containing orthanilic acid (SAnt) with a sulfonamide moiety in the turn segment, have been synthesized in the solution phase using suitable coupling agents, and their structural aspects investigated using NMR and X-ray crystallographic studies. Solid- and solution-state conformational analyses reveal that the peptide sequences containing orthanilic acid in their backbone exist in a folded conformation featuring long-range 15-membered ring H-bonding.

}, issn = {2046-2069}, doi = {10.1039/c3ra47039c}, author = {Roy, Arup and Kotmale, Amol S. and Gawade, Rupesh L. and Puranik, Vedavati G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article { ISI:000351153700001, title = {Processable aromatic polyesters based on bisphenol derived from cashew nut shell liquid: synthesis and characterization}, journal = {Journal of Polymer Research}, volume = {21}, number = {12}, year = {2014}, month = {NOV}, pages = {617}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A new bisphenol viz., 4-(4-hydroxyphenoxy)-3-pentadecylphenol (HPPDP) was synthesized starting from cashew nut shell liquid (CNSL). Aromatic (co)polyesters containing ether linkages in the main chain and pendent pentadecyl chains were synthesized by the interfacial polycondensation of HPPDP with terephthalic acid chloride (TPC), isophthalic acid chloride (IPC) and a mixture of TPC and IPC (50: 50 mol \%) and by polycondenation of varying composition of HPPDP and bisphenol-A (BPA) with TPC. The resultant (co) polyesters exhibited inherent viscosities in the range 0.70-1.21 dL g(-1) and number-average molecular weights in the range 16,000-48,200 (GPC, polystyrene standard). Polyesters were soluble in common organic solvents such as chloroform and dichloromethane and could be cast into films from chloroform solution. Polyesters exhibited T-10 values in the range 430-455 degrees C and Tg values were in the range 29-202 degrees C. Dynamic mechanical storage modulus and maximum on transition of tan delta curve decreased with increased content of HPPDP in copolyesters. Importantly, the large difference between Tg and T-10 values offers the possibility to process these polyesters in the melt.

}, keywords = {Aromatic polyesters, Cashew nut shell liquid, pentadecyl, Polycondensation, processability, Thermal properties}, issn = {1022-9760}, doi = {10.1007/s10965-014-0617-y}, author = {Tawade, Bhausaheb V. and Salunke, Jagadish K. and Sane, Prakash S. and Wadgaonkar, Prakash P.} } @article { ISI:000339880300021, title = {Proteomics of arsenic stress in the gram-positive organism Exiguobacterium sp PS NCIM 5463}, journal = {Applied Microbiology and Biotechnology}, volume = {98}, number = {15}, year = {2014}, month = {AUG}, pages = {6761-6773}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The general responses of microorganisms to environmental onslaughts are modulated by altering the gene expression pattern to reduce damage in the cell and produce compensating stress responses. The present study attempts to unravel the response of the Gram-positive Exiguobacterium sp. PS NCIM 5463 in the presence of [As(III)] and arsenate [As(V)] using comparative proteomics via two-dimension gel electrophoresis (2-DE) coupled with identification of proteins using matrix-assisted laser desorption/ionisation (MALDI-TOF/MALDI-TOF/TOF). Out of 926 Coomassie-stained proteins, 45 were differentially expressed (p \< 0.05). Considering the resolution and abundance level, 24 spots (peptides) were subjected to MALDI analysis, identified and categorised into several functional categories, viz., nitrogen metabolism, energy and stress regulators, carbohydrate metabolism, protein synthesis components and others. A functional role of each protein is discussed in Exiguobacterium sp. PS 5463 under arsenic stress and validated at their transcript level using a quantitative real-time polymerase chain reaction. Unlike previous reports that unravel the responses toward arsenic stress in Gram-negative organisms, the present study identified new proteins under arsenic stress in a Gram-positive organism, Exiguobacterium sp. PS NCIM 5463, which could elucidate the physiology of organisms under arsenic stress.

}, keywords = {Arsenic, Exiguobacterium, proteomics, Stress, Transcriptomics}, issn = {0175-7598}, doi = {10.1007/s00253-014-5873-6}, author = {Sacheti, Poonam and Patil, Rajendra and Dube, Ankita and Bhonsle, Hemangi S. and Thombre, Dipalee and Marathe, Sayali and Vidhate, Ravindra and Wagh, Priyanka and Kulkarni, Mahesh J. and Rapole, Srikanth and Gade, Wasudeo N.} } @article { ISI:000342328300031, title = {Pulsed laser-deposited MoS2 thin films on W and Si: field emission and photoresponse studies}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {18}, year = {2014}, month = {SEP}, pages = {15881-15888}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report field electron emission investigations on pulsed laser-deposited molybdenum disulfide (MoS2) thin films on W-tip and Si substrates. In both cases, under the chosen growth conditions, the dry process of pulsed laser deposition (PLD) is seen to render a dense nanostructured morphology of MoS2, which is important for local electric field enhancement in field emission application. In the case of the MoS2 film on silicon (Si), the turn-on field required to draw an emission current density of 10 mu A/cm(2) is found to be 2.8 V/mu m. Interestingly, the MoS2 film on a tungsten (W) tip emitter delivers a large emission current density of similar to 30 mA/cm(2) at a relatively lower applied voltage of similar to 3.8 kV. Thus, the PLD-MoS2 can be utilized for various field emission-based applications. We also report our results of photodiode-like behavior in (n- and p- type) Si/PLDMoS2 heterostructures. Finally we show that MoS2 films deposited on flexible kapton substrate show a good photoresponse and recovery. Our investigations thus hold great promise for the development of PLD MoS2 films in application domains such as field emitters and heterostructures for novel nanoelectronic devices.

}, keywords = {field emission, MoS2, photodiode heterostructures, pulsed laser deposition, thin film}, issn = {1944-8244}, doi = {10.1021/am503464h}, author = {Late, Dattatray J. and Shaikh, Parvez A. and Khare, Ruchita T. and Kashid, Ranjit V. and Chaudhary, Minakshi V. and More, Mahendra A. and Ogale, Satishchandra B.} } @article { ISI:000343750700045, title = {Pyrene based conjugated materials: synthesis, characterization and electroluminescent properties}, journal = {Physical Chemistry Chemical Physics}, volume = {16}, number = {42}, year = {2014}, month = {NOV}, pages = {23320-23328}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this work, three novel pyrene cored small conjugated molecules, namely 1,3,6,8-tetrakis(6-(octyloxy)naphthalene-2-yl) pyrene (PY-1), 1,3,6,8-tetrakis((E)-2-(6-(n-octyloxy) naphthalene-2-yl) vinyl) pyrene (PY-2) and 1,3,6,8-tetrakis((6-(n-octyloxy) naphthalene-2-yl) ethynyl) pyrene (PY-3) have been synthesized by Suzuki, heck and Sonogashira organometallic coupling reactions, respectively. The effects of single, double and triple bonds on their optical, electrochemical, and thermal properties are studied in detail. These all materials are fluorescent and they have been used in organic light-emitting diodes (OLEDs) and their electroluminescent properties have been studied.

}, issn = {1463-9076}, doi = {10.1039/c4cp03693j}, author = {Salunke, Jagadish K. and Sonar, Prashant and Wong, F. L. and Roy, V. A. L. and Lee, C. S. and Wadgaonkar, Prakash P.} } @article { ISI:000340514500021, title = {Quantum dot-decorated silicon nanowires as efficient photoelectrodes for photoelectrochemical hydrogen generation}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {33}, year = {2014}, month = {SEP}, pages = {13352-13358}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Quantum dot-decorated wide band gap semiconductors, such as TiO2, ZnO, SnO2, etc., which have electron mobilities of less than 200 cm(2) V-1 S-1 have been well studied as the photoelectrodes for photovoltaics and photoelectrochemical water splitting. Herein, we report CdSe quantum dot decorated-silicon nanowires (SiNWs) as photoelectrodes for photoelectrochemical water splitting. SiNWs have a comparatively higher electron mobility than metal oxides. A photocurrent density of around 6.1 mA cm(-2) was obtained for the CdSe/SiNWs photoelectrode, which is nearly five times higher than that for SiNWs alone and which also shows a good transient photocurrent response. The band energy level alignment was also studied between Si and CdSe by observing the corresponding flat band potentials from a Mott-Schottky analysis.

}, issn = {2050-7488}, doi = {10.1039/c4ta02775b}, author = {Devarapalli, Rami Reddy and Kamaja, Chaitanya Krishna and Shelke, Manjusha V.} } @article { ISI:000336442600003, title = {Rapid efficient synthesis and characterization of silver, gold, and bimetallic nanoparticles from the medicinal plant plumbago zeylanica and their application in biofilm control}, journal = {International Journal of Nanomedicine}, volume = {9}, year = {2014}, month = {MAY}, pages = {2635-2653}, publisher = {DOVE MEDICAL PRESS LTD}, address = {PO BOX 300-008, ALBANY, AUCKLAND 0752, NEW ZEALAND}, abstract = {

Background: Nanoparticles (NPs) have gained significance in medical fields due to their high surface-area-to-volume ratio. In this study, we synthesized NPs from a medicinally important plant - Plumbago zeylanica. Materials and methods: Aqueous root extract of P. zeylanica (PZRE) was analyzed for the presence of flavonoids, sugars, and organic acids using high-performance thin-layer chromatography (HPTLC), gas chromatography-time of flight-mass spectrometry (GC-TOF-MS), and biochemical methods. The silver NPs (AgNPs), gold NPs (AuNPs), and bimetallic NPs (AgAuNPs) were synthesized from root extract and characterized using ultraviolet-visible spectra, X-ray diffraction (XRD), energy-dispersive spectrometry (EDS), transmission electron microscopy (TEM), and dynamic light scattering (DLS). The effects of these NPs on Acinetobacter baumannii, Staphylococcus aureus, and Escherichia coli biofilms were studied using quantitative biofilm inhibition and disruption assays, as well as using fluorescence, scanning electron microscopy, and atomic force microscopy. Results: PZRE showed the presence of phenolics, such as plumbagin, and flavonoids, in addition to citric acid, sucrose, glucose, fructose, and starch, using HPTLC, GC-TOF-MS, and quantitative analysis. Bioreduction of silver nitrate (AgNO3) and chloroauric acid (HAuCl4) were confirmed at absorbances of 440 nm (AgNPs), 570 nm (AuNPs), and 540 nm (AgAuNPs), respectively. The maximum rate of synthesis at 50 degrees C was achieved with 5 mM AgNO3 within 4.5 hours for AgNPs; and with 0.7 mM HAuCl4 within 5 hours for AuNPs. The synthesis of AgAuNPs, which completed within 90 minutes with 0.7 mM AgNO3 and HAuCl4, was found to be the fastest. Fourier-transform infrared spectroscopy confirmed bioreduction, while EDS and XRD patterns confirmed purity and the crystalline nature of the NPs, respectively. TEM micrographs and DLS showed about 60 nm monodispersed Ag nanospheres, 20-30 nm Au nanospheres adhering to form Au nanotriangles, and about 90 nm hexagonal blunt-ended AgAuNPs. These NPs also showed antimicrobial and antibiofilm activity against E. coli, A. baumannii, S. aureus, and a mixed culture of A. baumannii and S. aureus. AgNPs inhibited biofilm in the range of 96\%-99\% and AgAuNPs from 93\% to 98\% in single-culture biofilms. AuNPs also showed biofilm inhibition, with the highest of 98\% in S. aureus. AgNPs also showed good biofilm disruption, with the highest of 88\% in A. baumannii. Conclusion: This is the first report on rapid and efficient synthesis of AgNPs, AuNPs and AgAuNPs from P. zeylanica and their effect on quantitative inhibition and disruption of bacterial biofilms.

}, keywords = {AgAuNPs, AgNPs, AuNPs, biofilm inhibition and disruption, GC-TOF-MS, P. zeylanica}, issn = {1178-2013}, doi = {10.2147/IJN.S59834}, author = {Salunke, Gayatri R. and Ghosh, Sougata and Kumar, R. J. Santosh and Khade, Samiksha and Vashisth, Priya and Kale, Trupti S. and Chopade, Snehal and Pruthi, Vikas and Kundu, Gopal and Bellare, Jayesh R. and Chopade, Balu Ananda} } @article { ISI:000336045800018, title = {Rationalizing the role of structural motif and underlying electronic structure in the finite temperature behavior of atomic clusters}, journal = {Journal of Chemical Physics}, volume = {140}, number = {15}, year = {2014}, month = {APR}, pages = {154307}, publisher = {AMER INST PHYSICS}, address = {CIRCULATION \& FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA}, abstract = {

Melting in finite size systems is an interesting but complex phenomenon. Many factors affect melting and owing to their interdependencies it is a challenging task to rationalize their roles in the phase transition. In this work, we demonstrate how structural motif of the ground state influences melting transition in small clusters. Here, we report a case with clusters of aluminum and gallium having same number of atoms, valence electrons, and similar structural motif of the ground state but drastically different melting temperatures. We have employed Born-Oppenheimer molecular dynamics to simulate the solid-like to liquid-like transition in these clusters. Our simulations have reproduced the experimental trends fairly well. Further, the detailed analysis of isomers has brought out the role of the ground state structure and underlying electronic structure in the finite temperature behavior of these clusters. For both clusters, isomers accessible before cluster melts have striking similarities and does have strong influence of the structural motif of the ground state. Further, the shape of the heat capacity curve is similar in both the cases but the transition is more spread over for Al-36 which is consistent with the observed isomerization pattern. Our simulations also suggest a way to characterize transition region on the basis of accessibility of the ground state at a specific temperature. (C) 2014 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4871118}, author = {Susan, Anju and Joshi, Kavita} } @article { ISI:000342254500047, title = {Reaction between lawsone and aminophenol derivatives: synthesis, characterization, molecular structures and antiproliferative activity}, journal = {Journal of Molecular Structure}, volume = {1075}, year = {2014}, month = {OCT}, pages = {397-405}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Reaction between two bioreductive reactants lawsone (2-hydroxy-1,4-napthoquinone) and derivatives 2-aminophenol without catalyst is reported. The reaction between lawsone and 4-chloro-2-aminophenol leads to formation of red colored major product 1A:[2-[(5-chloro-hydroxyphenyl)amino]naphthalene-1,4-dione] and fluorescent orange colored minor compound 1B:[10-chloro-benzo[alpha]phenoxazine-5-one]. Molecular structure of 1A and 1B were determined by single crystal X-ray diffraction. Two mechanisms were proposed to the formation of red 1A and 1B. {\textquoteleft}Ortho-para{\textquoteright} tautomeric equilibrium was observed in DMSO-d(6) solution in 1A, which was revealed by H-1, C-13 NMR and LC-MS studies. Molecules of 1A formed dimers via N-H center dot center dot center dot O interaction and polymeric chain of dimers was formed by OH center dot center dot center dot O interactions. Cl center dot center dot center dot Cl interactions were observed between the polymeric chains of dimers in 1A. Molecules of 1B show Cl center dot center dot center dot N interaction. Antiproliferative properties is studied for 1A-5A compounds (obtained by the reaction of lawsone with 2-amino-4-methylpheno1;2A, 2-aminopheno1;3A, 3-aminophenol;4A and 4-aminophenol;5A) and evaluated against two cancer cell lines, THP1 (human monocytic leukemia cells) and COLO205 (colorectal adenocarcinoma) and one normal cell line, HEK293T (human embryonic kidney). The values of 50\% inhibitory concentration (IC50) of compounds 1A-5A was determined using XTT assay. The cytotoxic effects of compounds 2A and 3A were observed against COLO205 and compounds 4A and 5A on THP1 were observed to be higher in comparison to their effect on HEK293T cell lines. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Aminonaphthoquinone, Aminophenol, Benzo[alpha]phenoxazine, Cl center dot center dot center dot N interactions, Lawsone, pi-pi stacking interaction}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2014.07.007}, author = {Kathawate, Laxmi and Joshi, Pranya V. and Dash, Tapan Kumar and Pal, Sanjima and Nikalje, Milind and Weyhermueller, Thomas and Puranik, Vedavati G. and Konkimalla, V. Badireenath and Salunke-Gawali, Sunita} } @article { ISI:000344439400007, title = {Regioselective acylation of 2-methoxy naphthalene catalyzed by supported 12-phosphotungstic acid}, journal = {Applied Catalysis A-General}, volume = {486}, year = {2014}, month = {SEP}, pages = {55-61}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

12-Phosphotungstic acid supported on silica gel, zirconium sulfate, and a combination of silica gel and zirconium sulfate (50\% w/w) were employed as solid acid catalysts for regioselective acylation of 2-methoxynaphtalene with acetic anhydride. 1-(6-Methoxynaphthalen-2-yl)ethanone (2,6-AMN), a commercially important intermediate for production of Naproxen, was obtained with excellent selectivity (\>98\%) at 67-68\% conversion using 12-phosphotungstic acid supported on silica gel 20\% (w/w) in refluxing tetrachloroethane. The unreacted starting material can be easily separated from the product by a simple crystallization from nonane. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Acylation, Naproxen, Phosphotungstic acid, Silica gel, Supported, Zirconium sulfate}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.08.026}, author = {Kumaraguru, Thenkrishnan and Devi, Ayala Vedamayee and Siddaiah, Vidavalur and Rajdeo, Kishor and Fadnavis, Nitin W.} } @article {46363, title = {Relativistic equation-of-motion coupled-cluster method: application to closed-shell atomic systems}, journal = {Physical Review Applied}, volume = {89}, year = {2014}, month = {APR }, pages = {042510}, type = {Article}, abstract = {

We report our successful implementation of the relativistic equation-of-motion coupled-cluster (EOMCC) method. This method is employed to compute the principal ionization potentials (IPs) of closed-shell rare-gas atoms, He-like ions, Be-like ions, along with Na+, Al+, K+, Be, andMg. Four-component Dirac spinors are used in the calculations, and the one-and two-electron integrals are evaluated using the Dirac-Coulomb Hamiltonian. Our results are in excellent agreement with available measurements, which are taken from the National Institute of Science and Technology database. The accuracies of the calculations are estimated to be within one half of a percent for He-like and Be-like ions and 1\% for the heavier systems. We also present results using the second-order many-body perturbation theory and random-phase approximation in the EOMCC framework. These results are compared with those of EOMCC at the level of single and double excitations in order to assess the role of the electron correlation effects in the intermediate schemes considered in our calculations.

}, issn = {2469-9926}, doi = {10.1103/PhysRevA.89.042510}, author = {Pathak, Himadri and Sahoo, B. K. and Das, B. P. and Vaval, Nayana and Pal, Sourav} } @article {42640, title = {Relativistic equation-of-motion coupled-cluster method for the double-ionization potentials of closed-shell atoms}, journal = {Physical Review A}, volume = {90}, year = {2014}, month = {JUL}, pages = {Article No. 010501}, doi = {10.1103/PhysRevA.90.010501}, author = {Pathak, Himadri and Ghosh, Aryya and Sahoo, B. K. and Das, B. P. and Vaval, Nayana and Pal, Sourav} } @article { ISI:000346385900016, title = {Relativistic equation-of-motion coupled-cluster method for the ionization problem: application to molecules}, journal = {Physical Review A}, volume = {90}, number = {6}, year = {2014}, month = {DEC}, pages = {Article No. 062501}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

We report the implementation of the four-component spinor relativistic equation-of-motion (EOM) coupled-cluster method within the single- and double-excitation approximation to calculate the ionization potential of molecules. We have applied this method to calculate vertical ionization potentials of the molecules XH (X = F, Cl, Br, I) along with Cl-2 and Br-2 in their closed-shell configuration. We have also presented intermediate results using the second-order many-body perturbation-theory level in the EOM framework to understand the role of electron correlation. All the calculated values are compared with the available experimental results. Our results are found to be in good agreement with sophisticated experiments, and relative deviation of less than 1\% is achieved for all the considered systems.

}, issn = {1050-2947}, doi = {10.1103/PhysRevA.90.062501}, author = {Pathak, Himadri and Sasmal, Sudip and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article { ISI:000341976100014, title = {Relativistic spectroscopy of plasma-embedded Li-like systems with screening effects in two-body Debye potentials}, journal = {Journal of Physics B-Atomic Molecular and Optical Physics}, volume = {47}, number = {17}, year = {2014}, month = {SEP}, pages = {175701}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

The spectroscopic properties of Li atoms and Li-like Ca and Ti ions in the plasma environment are investigated using a relativistic coupled-cluster (RCC) method. Assuming that the plasma is of low density and very hot, we consider the Debye model with two approximations to account for the screening effects: (i) in the nuclear potential alone and (ii) in both the nuclear and the electron-electron interaction potentials. Also, calculations for the energies and the lifetimes of the atomic states are carried out for plasma-free systems to check their accuracy, after which they are investigated in the plasma environment. It is observed that screenings in the electron-electron interaction potentials stabilize the systems more than when the screenings are present only in the nuclear potential. Similarly, the blue and red shifts in the Delta n = 0 and Delta n not equal 0 transition lines (with the principal quantum number n) of the Li-like ions observed in the (i) approximation are altered in the (ii) approximation. The level crossings among the energy levels are observed for large screening effects and are found to be prominent in the states of higher orbital angular momentum. The lifetimes of many low-lying states of the allowed transitions are estimated by considering different plasma screening strengths.

}, keywords = {atomic Spectroscopy, Debye model, relativistic method}, issn = {0953-4075}, doi = {10.1088/0953-4075/47/17/175701}, author = {Das, Madhulita and Sahoo, B. K. and Pal, Sourav} } @article { ISI:000327236600002, title = {Remarkable efficiency of a pin-II proteinase inhibitor sans two conserved disulfide bonds is due to enhanced flexibility and hydrogen bond density in the reactive site loop}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {32}, number = {1}, year = {2014}, month = {JAN}, pages = {13-26}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

Capsicum annuum (L.) expresses diverse potato type II family proteinase inhibitors comprising of inhibitory repeat domain (IRD) as basic functional unit. Most IRDs contain eight conserved cysteines forming four disulfide bonds, which are indispensible for their stability and activity. We investigated the functional significance of evolutionary variations in IRDs and their role in mediating interaction between the inhibitor and cognate proteinase. Among the 18 IRDs encoded by C. annuum, IRD-7, -9, and -12 were selected for further characterization on the basis of variation in their reactive site loop, number of conserved cysteine residues, and higher theoretical G(bind) for interaction with Helicoverpa armigera trypsin. Moreover, inhibition kinetics showed that IRD-9, despite loss of some of the disulfide bonds, was a more potent proteinase inhibitor among the three selected IRDs. Molecular dynamic simulations revealed that serine residues in the place of cysteines at seventh and eighth positions of IRD-9 resulted in an increase in the density of intramolecular hydrogen bonds and reactive site loop flexibility. Results of the serine residues chemical modification also supported this observation and provided a possible explanation for the remarkable inhibitory potential of IRD-9. Furthermore, this natural variant among IRDs showed special attributes like stability to proteolysis and synergistic inhibitory effect on other IRDs. It is likely that IRDs have coevolved selective specialization of their structure and function as a response towards specific insect proteases they encountered. Understanding the molecular mechanism of pest protease-plant proteinaceous inhibitor interaction will help in developing effective pest control strategies.An animated interactive 3D complement (I3DC) is available in Proteopedia at http://proteopedia.org/w/Journal:JBSD:39

}, keywords = {Capsicum annuum, Helicoverpa armigera, Proteases, Proteinase inhibitor}, issn = {0739-1102}, doi = {10.1080/07391102.2012.745378}, author = {Joshi, Rakesh S. and Mishra, Manasi and Tamhane, Vaijayanti A. and Ghosh, Anirban and Sonavane, Uddhavesh and Suresh, C. G. and Joshi, Rajendra and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000339661100021, title = {Remote trap passivation in colloidal quantum dot bulk nano-heterojunctions and its effect in solution-processed solar cells}, journal = {Advanced Materials}, volume = {26}, number = {27}, year = {2014}, month = {JUL}, pages = {4741+}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

More-efficient charge collection and suppressed trap recombination in colloidal quantum dot (CQD) solar cells is achieved by means of a bulk nano-heterojunction (BNH) structure, in which p-type and n-type materials are blended on the nanometer scale. The improved performance of the BNH devices, compared with that of bilayer devices, is displayed in higher photocurrents and higher open-circuit voltages (resulting from a trap passivation mechanism).

}, issn = {0935-9648}, doi = {10.1002/adma.201400297}, author = {Rath, Arup Kumar and Pelayo Garcia de Arquer, F. and Stavrinadis, Alexandros and Lasanta, Tania and Bernechea, Maria and Diedenhofen, Silke L. and Konstantatos, Gerasimos} } @article { ISI:000343023900010, title = {Resistance through inhibition: ectopic expression of serine protease inhibitor offers stress tolerance via delayed senescence in yeast cell}, journal = {Biochemical and Biophysical Research Communications}, volume = {452}, number = {3}, year = {2014}, month = {SEP}, pages = {361-368}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Protease inhibitors have been known to confer multiple stress tolerance in transgenic plants. We have assessed growth of yeast (Pichia pastoris GS115) strains expressing inhibitory repeat domains (PpIRD(+)) of previously characterized Capsicum annuum protease inhibitors under high salt, heavy metal and oxidative stress. PpIRD(+) strains exhibited multiple stress tolerance and showed differential molecular responses at transcriptional and translational level on exposure to stress inducing agents like heavy metal, high salt and H2O2. PpIRD(+) strains display significant reduction in metacaspase (Yca1) activity, the key enzyme in apoptosis, indicates the possibility of cross reactivity of IRDs (serine protease inhibitor) with cysteine proteases. PpIRD(+) and Saccharomyces cerevisiae knockout with Yca1 (Delta Yca1) strain showed similar growth characteristics under stress, which indicated the delayed senescence due to cellular metacaspase inhibition. Molecular docking study showed a close proximity of IRDs reactive site and the active site of metacaspase in the complex that signified their strong interactions. Maintenance of GAPDH activity, primary target of metacaspase, in PpIRD(+) strain evidenced the inhibition of metacaspase activity and survival of these cells under stress. This report demonstrates a potential molecular mechanism of protease inhibitor-based multiple stress tolerance in yeast strains. (C) 2014 Elsevier Inc. All rights reserved.

}, keywords = {Metacaspase, Multiple stress tolerance, protease inhibitor, Yeast}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2014.08.075}, author = {Joshi, Rakesh S. and Tanpure, Rahul S. and Singh, Rajan Kumar and Gupta, Vidya S. and Giri, Ashok P.} } @article { ISI:000342883100029, title = {Rhodococcus enclensis sp nov., a novel member of the genus rhodococcus}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {64}, number = {8}, year = {2014}, month = {AUG}, pages = {2693-2699}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A novel actinobacterial strain, designated, NIO-1009(T), was isolated from a marine sediment sample collected from Chorao Island, Goa, India. Phylogenetic analysis comparisons based on 16S rRNA gene sequences between strain MO-1009(T) and other members of the genus Rhodococcus revealed that strain NI0-1009(T) had the closest sequence similarity to Rhodococcus kroppenstedtii DSM 44908(T) and Rhodococcus corynebacterioides DSM 20151(T) with 99.2 and 99.1\%, respectively. Furthermore, DNA-DNA hybridization results showed that R. kroppenstedtii DSM 44908(T) and R. corynebacterioides DSM 20151(T) were 39.5 (3.0\%) and 41.7 (2.0\%) with strain NIO-1009(T), respectively, which were well below the 70\% limit for any novel species proposal. Phylogenetically strain NIO-1009(T) forms a stable clade with and R. kroppenstedtii DSM 44908(T) and R. corynebacterioides DSM 201511 with 100\% bootstrap values. Strain NI-1009(T) contained meso-diaminopimelic acid as the diagnostic diamino acid and galactose and arabinose as the cell wall sugars. The major fatty acids were C-16:0, C-18:1 omega 9c, C-16:1(omega 6C and/or omega 7c) and 10-methyl C-18:0. The only menaquinone detected was MK-8(H-2), while the major polar lipids were diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol, phosphatidylinositol, phosphatidylinositol mannoside and one unknown phospholipid. The G + C content of the genomic DNA was 66.9 molok. The phenotypic and genotypic data showed that strain NIO-1009(T) warrants recognition as a novel species of the genus Rhodococcus for which the name Rhodococcus enclensis sp. nov., is proposed; the type strain is NIO-1009(T) (=NCIM 5452(T)=DSM 45688(T)).

}, issn = {1466-5026}, doi = {10.1099/ijs.0.061390-0}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Tang, Shan-Kun and Krishnamurthi, Srinivasan and Ramana, V. Venkata and Joseph, Neeta and Shouche, Yogesh S.} } @article { ISI:000327155500005, title = {Role of additives in chiral amine-catalyzed direct aldol reaction}, journal = {Synthetic Communications}, volume = {44}, number = {3}, year = {2014}, month = {FEB}, pages = {352-360}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A systematic study of chiral adducts derived from amines as catalysts for aldol reaction revealed that enantioselective outcome depends on the chiral enamine intermediate and not the face-selective activation of aldehyde. A simple addition compound of proline and 8-hydroxy quinoline was found to be a good catalyst. [Supplementary materials are available for this article. Go to the publisher{\textquoteright}s online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]

}, keywords = {Additives, Aldol reaction, chiral amines, organocatalyst, pyrrolidine-catalyzed}, issn = {0039-7911}, doi = {10.1080/00397911.2013.805231}, author = {Sutar, R. L. and Joshi, Navalkishore N.} } @article { ISI:000336899800007, title = {Role of iron oxide impurities in electrocatalysis by multiwall carbon nanotubes: An investigation using a novel magnetically modified ITO electrodes}, journal = {Bulletin of Materials Science}, volume = {37}, number = {2}, year = {2014}, month = {APR}, pages = {221-226}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

The role of iron oxide impurities in the electrocatalytic properties of multiwall carbon nanotubes (MWCNTs) prepared by catalytic chemical vapour decomposition method (CCVD) is studied in detail. A novel magnetically modified electrodes have been developed by which MWCNTs were immobilized on indium-tin oxide (ITO) electrodes, without any chemical binders. The electro-catalytic oxidation of dopamine, and reduction of hydrogen peroxide have been studied by cyclic voltammetry on magnetically modified electrodes with (i) MWCNTs with occluded iron oxide impurities (Fe-MWCNTs), (ii) MWCNTs grown on iron oxide nanoparticle particulate films (Io-MWCNTs) and (iii) pristine iron oxide nanoparticle particulate film (Io-NPs). A shift towards less positive potentials for the oxidation of dopamine was observed which is in the order of Fe-MWCNTs \< Io-MWCNTs \< Io-NPs. Similarly, trend towards less negative potentials for the reduction of hydrogen peroxide was observed. Thus, the electrocatalytic activities displayed by MWCNTs have been attributed to the iron oxide impurities associated with it. The systematic variation was related to the nature of interaction of iron oxide nanoparticles with MWCNT surface.

}, keywords = {dopamine, Hydrogen peroxide, iron oxide nanoparticles, magnetically-modified electrode, Multiwall carbon nanotubes (MWCNTs)}, issn = {0250-4707}, author = {Samant, Kanchan M. and Joshi, Vrushali S. and Patil, Kashinath R. and Haram, Santosh K.} } @article { ISI:000350657700011, title = {Role of structure and entropy in determining differences in dynamics for glass formers with different interaction potentials}, journal = {Physical Review Letters}, volume = {113}, number = {22}, year = {2014}, month = {NOV}, pages = {225701}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

We present a study of two model liquids with different interaction potentials, exhibiting similar structure but significantly different dynamics at low temperatures. By evaluating the configurational entropy, we show that the differences in the dynamics of these systems can be understood in terms of their thermodynamic differences. Analyzing their structure, we demonstrate that differences in pair correlation functions between the two systems, through their contribution to the entropy, dominate the differences in their dynamics, and indeed overestimate the differences. Including the contribution of higher order structural correlations to the entropy leads to smaller estimates for the relaxation times, as well as smaller differences between the two studied systems.

}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.113.225701}, author = {Banerjee, Atreyee and Sengupta, Shiladitya and Sastry, Srikanth and Bhattacharyya, Sarika Maitra} } @article { ISI:000330953700014, title = {Roseovarius azorensis sp nov., isolated from seawater at espalamaca, azores}, journal = {Antonie van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {105}, number = {3}, year = {2014}, month = {MAR}, pages = {571-578}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A Gram-negative, motile, non-spore forming, rod shaped aerobic bacterium, designated strain SSW084(T), was isolated from a surface seawater sample collected at Espalamaca (38A degrees 33{\textquoteright}N; 28A degrees 39{\textquoteright}W), Azores. Growth was found to occur from 15 to 40 A degrees C (optimum 30 A degrees C), at pH 7.0-9.0 (optimum pH 7.0) and with 25-100 \% seawater or 0.5-7.0 \% NaCl in the presence of Mg2+ and Ca2+; no growth was found with NaCl alone. Colonies on seawater nutrient agar were observed to be punctiform, white, convex, circular, smooth, and translucent. Strain SSW084(T) did not grow on Zobell marine agar and tryptic soy agar even when seawater supplemented. The major respiratory quinone was found to be Q-10 and the G + C content was determined to be 61.9 mol\%. Phylogenetic analysis based on the 16S rRNA gene sequence indicated that strain SSW084(T) belongs to the genus Roseovarius and that its closest neighbours are Roseovarius tolerans EL-172(T), Roseovarius mucosus DFL-24(T) and Roseovarius lutimaris 112(T) with 95.7, 95.4 and 95.3 \% sequence similarity respectively. The remaining species of Roseovarius showed \< 95 \% similarity. The polar lipids of strain SSW084(T) were determined to be phosphatidylethanolamine, diphosphatidylglycerol, phosphatidylglycerol, phosphatidylcholine, an unidentified lipid and one unidentified aminolipid. The major fatty acids identified were identified as C-18:1 omega 7c (52.5 \%) and C-16:0 (13.8 \%). On the basis of phenotypic, molecular and chemotaxonomic characteristics, strain SSW084(T) is considered to represent a novel species of the genus Roseovarius, for which Roseovarius azorensis sp. nov is proposed. The type strain is SSW084(T) (=KCTC 32421(T) = MTCC 11812(T)).

}, keywords = {Espalamaca, Polyphasic taxonomy, Roseovarius azorensis sp nov, Seawater}, issn = {0003-6072}, doi = {10.1007/s10482-013-0109-9}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Dastager, Syed Gulam and Liu, Qing and Thi-Nhan Khieu and Chu Ky Son and Li, Wen-Jun and Colaco, Ana} } @article { ISI:000337742600003, title = {Ru-catalyzed branched versus linear selective C3-alkylation of 2-aroylbenzofurans with acrylates via C-H activation}, journal = {Chemistry-A European Journal}, volume = {20}, number = {26}, year = {2014}, month = {JUN}, pages = {7884-7889}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The carbonyl-directed C3-H activation and alkylation of 2-aroylbenzo[b]furans with acrylates occurs selectively either in a linear or branched fashion, depending on the catalyst employed; [Ru(p-cymene)Cl-2](2) or Ru(PPh3)(3)Cl-2, respectively. Two alternate pathways-funded upon the differences in steric and electronic preferences of these two complexes-is proposed for the selectivity of linear versus branched products.

}, keywords = {acrylate, benzo[b]furan, branched-selective alkylation, C-H activation, ruthenium}, issn = {0947-6539}, doi = {10.1002/chem.201400401}, author = {Kommagalla, Yadagiri and Srinivas, Kolluru and Ramana, Chepuri V.} } @article { ISI:000346214100014, title = {SBA-15 intercalated Mg-Al hydrotalcite: an environmental friendly catalyst for hydroisomerization of olefin}, journal = {Applied Catalysis A-General}, volume = {488}, year = {2014}, month = {NOV}, pages = {119-127}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

SBA-15 Molecular sieve-intercalated Mg-Al hydrotalcite (MASBA-HT) was synthesized for the first time by a simple straightforward method. The intercalation of SBA-15 molecular sieve between the interlayer of HT was evident from powder XRD, TEM and FT-IR studies. The presence of SBA-15 facilitates retention of the layered structure for first time, even after calcination at high temperature of 550 degrees C. The resultant material possesses moderate acidity which comes from incorporation of aluminum into the framework of SBA-15 and also contained soluble basicity similar to HT materials. The material shows promising activity for hydroisomerization of 1-octene resulting in good substrate conversion (80\%) and branched isomers selectivity (45\%). The catalytic activity remains constant over longer duration and repeated runs. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Branched alkenes, Hydroisomerization, Intercalated-hydrotalcite, layered materials, Mesoporous SBA-15}, issn = {0926-860X}, doi = {10.1016/j.apcata.2014.09.024}, author = {Baskaran, Thangaraj and Christopher, Jayaraj and Ajithkumar, Thalasseril G. and Sakthivel, Ayyamperumal} } @article { ISI:000330542900022, title = {Sequential electrochemical unzipping of single-walled carbon nanotubes to graphene ribbons revealed by in situ Raman spectroscopy and imaging}, journal = {ACS Nano}, volume = {8}, number = {1}, year = {2014}, month = {JAN}, pages = {234-242}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report an in situ Raman spectroscopic and microscopic investigation of the electrochemical unzipping of single-walled carbon nanotubes (SWNTs). Observations of the radial breathing modes (RBMs) using Raman spectral mapping reveal that metallic SWNTs are opened up rapidly followed by gradual unzipping of semiconducting SWNTs. Consideration of the resonant Raman scattering theory suggests that two metallic SWNTs with chiralities (10,4) and (12, 0) get unzipped first at a lower electrode potential (036 V) followed by the gradual unzipping of another two metallic tubes, (9, 3) and (10, 1), at a relatively higher potential (1.16 V). The semiconducting SWNTs with chiralities (11, 7) and (12, 5), however, get open up gradually at +/- 1.66 V. A rapid decrease followed by a subsequent gradual decrease in the metallicity of the SWNT ensemble as revealed from a remarkable variation of the peak width of the G band complies well with the variations of RBM. Cyclic voltammetry also gives direct evidence for unzipping in terms of improved capacitance after oxidation followed by more important removal of oxygen functionalities during the reduction step, as reflected in subtle changes of the morphology confirming the formation of graphene nanoribbons. The density functional-based tight binding calculations show additional dependence of chirality and diameter of nanotubes on the epoxide binding energies, which is in agreement with the Raman spectroscopic results and suggests a possible mechanism of unzipping determined by combined effects of the structural characteristics of SWNTs and applied field.

}, keywords = {density functional-based tight binding calculations, Electrochemistry, graphene, Raman spectral mapping, single-walled carbon nanotubes}, issn = {1936-0851}, doi = {10.1021/nn403289g}, author = {John, Robin and Shinde, Dhanraj B. and Liu, Lili and Ding, Feng and Xu, Zhiping and Vijayan, Cherianath and Pillai, Vijayamohanan K. and Pradeep, Thalappil} } @article { ISI:000345651600040, title = {Simple and efficient synthesis of isocoumarins and alkylidenephthalides from 3-(1-hydroxycarbethoxy/alkyl)phthalides with a DEAD/PPh3/TBHP system}, journal = {RSC Advances}, volume = {4}, number = {101}, year = {2014}, month = {NOV}, pages = {57658-57661}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A facile and novel approach to the synthesis of 3-carbethoxy-isocoumarins and 3-alkylidenephthalides is described. The methodology employs DEAD/PPh3/TBHP as the reagent system proceeding through unprecedented 1,2-shift intramolecular ring expansion or simple elimination depending upon substituents present on 3-substituted phthalides, with broader substrate scope. This strategy is amply demonstrated in the short synthesis of bioactive molecules such as cytogenin and (Z)-3-butylidene-7-hydroxy-5-methoxyphthalide.

}, issn = {2046-2069}, doi = {10.1039/c4ra10372f}, author = {Gadakh, Sunita K. and Sudalai, Arumugam} } @article { ISI:000334141800011, title = {Soft-sensor development for biochemical systems using genetic programming}, journal = {Biochemical Engineering Journal}, volume = {85}, year = {2014}, month = {APR}, pages = {89-100}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Soft-sensors are software based process monitoring systems/models. In real-time they estimate those process variables, which are difficult to measure online or whose measurement by analytical procedures is tedious and time-consuming. In this study, the genetic programming (GP), an artificial intelligence based data-driven modeling formalism, has been introduced for the development of soft-sensors for biochemical processes. The novelty of the GP is that given example input-output data, it searches and optimizes both the form (structure) and parameters of an appropriate linear/nonlinear data-fitting model. In this study, GP-based soft-sensors have been developed for two bioprocesses, namely extracellular production of lipase enzyme and bacterial production of poly(3-hydroxybutyrate-co-3-hydroxyvalerate) copolymer. While in case study-I, the soft-sensor predicts the time-dependent lipase activity (U/ml), in case study-II it predicts the amount of accumulated polyhydroxyalkanoates (\% dcw). The prediction and generalization performance of the GP-based soft-sensors was compared with the corresponding multi-layer perceptron (MLP) neural network and support vector regression (SVR) based soft-sensors. This comparison indicates that in the first case study the GP-based soft-sensor with the training and test set correlation coefficient (root-mean-squared-error) magnitudes of \>0.96 (approximate to 0.962 U/ml) has clearly outperformed the two other soft-sensors. In case study-II involving bacterial copolymer production, the GP and SVR based soft-sensors have performed equally well (correlation coefficient approximate to 0.98) while the MLP based soft-sensor{\textquoteright}s performance was relatively inferior (correlation coefficient approximate to 0.94). (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Artificial intelligence, Batch processing, Bioprocess monitoring, Lipase, Modeling, sensors}, issn = {1369-703X}, doi = {10.1016/j.bej.2014.02.007}, author = {Sharma, Suraj and Tambe, Sanjeev S.} } @article { ISI:000336351800043, title = {Solar photocatalytic degradation of methylene blue using doped TiO2 nanoparticles}, journal = {Solar Energy}, volume = {103}, year = {2014}, month = {MAY}, pages = {473-479}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Doped-TiO2 nanoparticles (M:TiO2: Fe, Zn, Zr, Sb, Ce and nM:TiO2: B, C, N, P, S) with anatase structure were prepared by sol-gel method and characterized by X-ray diffraction (XRD), Transmission electron microscopy (TEM), X-ray photoelectron spectra (XPS), Brunauer-Teller method (BET), UV-Vis diffuses reflectance spectroscopy (DRS). Results revealed that the anatase structure is highly stable for all doped TiO2 prepared compounds with enhancement in the surface area. UV-Vis diffuse reflectance spectra showed that these dopants were responsible for narrowing the band gap of TiO2 and shifting its optical response from ultraviolet to visible-light region. The photocatalytic activities of these multi-doped TiO2 catalysts were investigated by degradation methylene blue in aqueous solution under solar-light illumination. The results showed an appreciable enhancement in the photoactivity of the C-doped TiO2 as compared to other multi-doped TiO2 because of the formation of Ti+3 species which prevent the recombination of electron-hole pairs in C-doped TiO2. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Carbon, iron, Methylene blue, Solar photocatalysis}, issn = {0038-092X}, doi = {10.1016/j.solener.2014.02.043}, author = {Bhosale, R. R. and Pujari, S. R. and Muley, G. G. and Patil, S. H. and Patil, K. R. and Shaikh, M. F. and Gambhire, A. B.} } @article { ISI:000341544200034, title = {Sol-gel assisted fabrication of collagen hydrolysate composite scaffold: a novel therapeutic alternative to the traditional collagen scaffold}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {17}, year = {2014}, month = {SEP}, pages = {15015-15025}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Collagen is one of the most widely used biomaterial for various biomedical applications. In this Research Article, we present a novel approach of using collagen hydrolysate, smaller fragments of collagen, as an alternative to traditionally used collagen scaffold. Collagen hydrolysate composite scaffold (CHCS) was fabricated with sol-gel transition procedure using tetraethoxysilane as the silica precursor. CHCS exhibits porous morphology with pore sizes varying between 380 and 780 mu m. Incorporation of silica conferred CHCS with controlled biodegradation and better water uptake capacity. Notably, 3T3 fibroblast proliferation was seen to be significantly better under CHCS treatment when compared to treatment with collagen scaffold. Additionally, CHCS showed excellent antimicrobial activity against the wound pathogens Staphylococcus aureus, Bacillus subtilis, and Escherichia coli due to the inherited antimicrobial activity of collagen hydrolysate. In vivo wound healing experiments with full thickness excision wounds in rat model demonstrated that wounds treated with CHCS showed accelerated healing when compared to wounds treated with collagen scaffold. These findings indicate that the CHCS scaffold from collagen fragments would be an effective and affordable alternative to the traditionally used collagen structural biomaterials.

}, keywords = {collagen, collagen hydrolysate, scaffold, sol-gel, tissue engineering, wound Healing}, issn = {1944-8244}, doi = {10.1021/am502948g}, author = {Ramadass, Satiesh Kumar and Perumal, Sathiamurthi and Gopinath, Arun and Nisal, Anuya and Subramanian, Saravanan and Madhan, Balaraman} } @article { ISI:000337551800010, title = {Solid base supported metal catalysts for the oxidation and hydrogenation of sugars}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {388}, number = {SI}, year = {2014}, month = {JUL}, pages = {90-99}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Pt impregnated on gamma-Al2O3 (acidic support) and hydrotalcite (basic support) catalysts were synthesized, characterized and used in the oxidation and hydrogenation reactions of C5 and C6 sugars. In the absence of homogeneous base, 83\% yield for gluconic acid; an oxidation product of glucose can be achieved over Pt/hydrotalcite (HT) catalyst at 50 degrees C under atmospheric oxygen pressure. Similarly, 57\% yield for xylonic acid, an oxidation product of xylose is also possible over Pt/HT catalyst. Hydrogenation of glucose conducted using Pt/gamma-Al2O3 + HT catalytic system showed 68\% sugar alcohols (sorbitol + mannitol) formation. The 82\% yield for C5 sugar alcohols (xylitol + arabitol) was obtained by subjecting xylose to hydrogenation over Pt/gamma-Al2O3 + HT at 60 degrees C. UV analysis helped to establish the fact that under alkaline conditions sugars prefer to remain in open chain form in the solution and thus exposes -CHO group which further undergoes oxidation and hydrogenation reactions to yield acids and alcohols. (c) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Hydrogenation, Oxidation, Solid base, Sugars, Supported metal catalysts}, issn = {1381-1169}, doi = {10.1016/j.molcata.2013.09.014}, author = {Tathod, Anup and Kane, Tanushree and Sanil, E. S. and Dhepe, Paresh Laxmikant} } @article { ISI:000334895800021, title = {Solid, double-metal cyanide catalysts for synthesis of hyperbranched polyesters and aliphatic polycarbonates}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {2, SI}, year = {2014}, note = {21st National Symposium on Catalysis (CATSYMP), CSIR Indian Inst Chem Technol, Hyderabad, INDIA, FEB 11-13, 2013}, month = {MAR}, pages = {499-509}, publisher = {Catalysis Soc India}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Fe-Zn and Co-Zn double-metal cyanide (DMC) complexes exhibit highly efficient and selective catalytic activity for synthesis of hyperbranched polyesters (glycerol succinic acid (G-SA) and glycerol adipic acid (G-AA)) and aliphatic polycarbonates (via., alternative co-polymerization of cyclohexene oxide and CO2), respectively. The influence of method of preparation of DMC, in particular the mode of addition of reagents, on its physicochemical and catalytic properties was investigated. Co-Zn DMC was found highly selective for polycarbonate (than polyethers) formation. Catalysts prepared using tert-butanol and PEG-4000 as complexing and co-complexing agents, respectively, were found superior to those prepared without these agents. Apart from its role as a coordinating ligand, tert-butanol activated the Lewis acidic Zn2+ sites for reactions in polyester and polycarbonate formation. Hydrophobicity, micro-mesoporosity, acid strength and the amount of coordinated complexing agent are some of the crucial factors influenced the catalytic activity of DMC complexes.

}, keywords = {aliphatic polycarbonate, CO2 utilization, Double-metal cyanide complex, heterogeneous catalysis, hyperbranched polyester}, issn = {0974-3626}, author = {Sebastian, Joby and Darbha, Srinivas} } @article { ISI:000336013600030, title = {Spectroscopic and antibacterial studies of new octaazamacrocyclic complexes derived from carbohydrazide and isatin}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {128}, year = {2014}, month = {JUL}, pages = {243-247}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A novel series of the macrocyclic complexes of the type: [M(C18H14N10O2)X-2], where M = Co(II), Ni(II), Cu(II) and Zn(II); X = Cl-, NO3- and CH3COO-, has been synthesized by template condensation of carbohydrazide and isatin in methanolic medium. The complexes were characterized by various physico-chemical techniques, such as elemental analyses, molar conductance measurements, magnetic measurements, and electronic, NMR, IR and EPR spectral studies. The low value of molar conductance indicates them to be non-electrolytes. Based on various studies, a distorted octahedral geometry was proposed for all the metal complexes. Metal complexes were tested for their in vitro antibacterial activities against some pathogenic bacterial strains and compared with standard antibiotic, Ciprofloxacin. Some of the tested complexes was found effective against Gram-positive bacterial strains. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Carbohydrazide, Isatin, Macrocyclic complexes, MIC, Template condensation}, issn = {1386-1425}, doi = {10.1016/j.saa.2014.02.128}, author = {Kumar, Krishan and Kamboj, Monika and Jain, Kiran and Singh, D. P.} } @article { ISI:000340526400001, title = {Stable silanone with a three-coordinate silicon atom: a century-long wait is over}, journal = {Angewandte Chemie-International Edition}, volume = {53}, number = {34}, year = {2014}, month = {AUG}, pages = {8820-8822}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, keywords = {cations, germanones, Ketones, silanones, transition metals}, issn = {1433-7851}, doi = {10.1002/anie.201404793}, author = {Sen, Sakya S.} } @article { ISI:000341653300004, title = {Status of membrane distillation for water and wastewater treatment-a review}, journal = {Desalination and Water Treatment}, volume = {52}, number = {28-30}, year = {2014}, month = {AUG}, pages = {5199-5218}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

Membrane distillation (MD) is a promising separation technique for water treatment. It is a nonisothermal process known since 1963. However, this technology still needs to be developed for its industrial implementation for different purposes. This paper presents a status review of MD based on the available published literatures and on preliminary analysis. The review covers the concept, membranes and modules design, configurations, performance parameters, fouling phenomena, the heat and mass transfer phenomena, applications, energy assessment, heat integration, and Memstill technology of MD process. Earlier study indicates that the permeate quality obtained by MD is stable and practically independent on the feed concentrations. The permeate flux is strongly affected by the feed temperature, feed flow rate, vacuum pressure in vacuum MD, and the boundary layer heat transfer coefficient. The permeate flux obtained in the literature of MD process is disagree by an order of enormity and hence better experimental work is needed. The less attention was found in the literature towards the removal of organic and inorganic toxic constituents from the groundwater by MD process.

}, keywords = {Fouling, Membrane configuration, Membrane design, Membrane distillation, wastewater}, issn = {1944-3994}, doi = {10.1080/19443994.2013.808422}, author = {Pangarkar, Bhausaheb L. and Sane, Mukund G. and Parjane, Saroj B. and Guddad, Mahendra} } @article { ISI:000336733100003, title = {Steady state fluorescence studies of wild type recombinant cinnamoyl CoA reductase (Ll-CCRH1) and its active site mutants}, journal = {Journal of Fluorescence}, volume = {24}, number = {3}, year = {2014}, month = {MAY}, pages = {665-673}, publisher = {SPRINGER/PLENUM PUBLISHERS}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Fluorescence quenching and time resolved fluorescence studies of wild type recombinant cinnamoyl CoA reductase (Ll-CCRH1), a multitryptophan protein from Leucaena leucocephala and 10 different active site mutants were carried out to investigate tryptophan environment. The enzyme showed highest affinity for feruloyl CoA (K (a) = 3.72 x 10(5) M-1) over other CoA esters and cinnamaldehydes, as determined by fluorescence spectroscopy. Quenching of the fluorescence by acrylamide for wild type and active site mutants was collisional with almost 100 \% of the tryptophan fluorescence accessible under native condition and remained same after denaturation of protein with 6 M GdnHCl. In wild type Ll-CCRH1, the extent of quenching achieved with iodide (f (a) = 1.0) was significantly higher than cesium ions (f (a) = 0.33) suggesting more density of positive charge around surface of trp conformers under native conditions. Denaturation of wild type protein with 6 M GdnHCl led to significant increase in the quenching with cesium (f (a) = 0.54), whereas quenching with iodide ion was decreased (f (a) = 0.78), indicating reorientation of charge density around trp from positive to negative and heterogeneity in trp environment. The Stern-Volmer plots for wild type and mutants Ll-CCRH1 under native and denatured conditions, with cesium ion yielded biphasic quenching profiles. The extent of quenching for cesium and iodide ions under native and denatured conditions observed in active site mutants was significantly different from wild type Ll-CCRH1 under the same conditions. Thus, single substitution type mutations of active site residues showed heterogeneity in tryptophan microenvironment and differential degree of conformation of protein under native or denatured conditions.

}, keywords = {Active site mutants, Cinnamoyl CoA reductase, fluorescence, Ligand binding, Solute quenching}, issn = {1053-0509}, doi = {10.1007/s10895-013-1343-2}, author = {Sonawane, Prashant and Vishwakarma, Rishi Kishore and Singh, Somesh and Gaikwad, Sushama M. and Khan, Bashir Mohammad} } @article {46396, title = {Structural basis of Iridoid synthase mediated cyclization of 10-oxogeranial}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C270}, type = {Meeting Abstract}, keywords = {Cryo-EM, iridoid synthase, Single Particle reconstruction}, issn = {2053-2733}, author = {Sandholu, Anandsukeerthi and H. V. Thulasiram and Sengupta, Jayati and Kulkarni, Kiran} } @article { ISI:000331861500013, title = {Structure and dynamics of benzyl-NX3 (X = Me, Et) trifluoromethanesulfonate ionic liquids}, journal = {Journal of Physical Chemistry B}, volume = {118}, number = {7}, year = {2014}, month = {FEB}, pages = {1831-1838}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Ammonium-based benzyl-NX3 (X = methyl, ethyl) trifluoromethanesulfonate (TFA) ionic liquids (ILs) are low cost, nontoxic, thermally stable ion-conducting electrolytes in fuel cells and batteries. In the present study, we have characterized the structure and dynamics of these ILs using molecular dynamics (MD) simulations and ionic conductivity using electro-chemical impedance spectroscopy (EIS) at varying temperature and relative humidity (RH). Results from MD simulations predict that cation-cation and cation-anion interactions are stronger in benzyltrimethylammonium (BzTMA) compared to benzyltriethylammonium (BzTEA) that diminish with increase in RH. Further, the BzTMA cations show both C-H/Ph (center of mass of phenyl ring) and cation-Ph interactions whereas BzTEA cations show only strong cation-Ph interactions. The C-H/Ph interactions (psi \>= 90 degrees, d(H-Ph) \<= 4 angstrom, theta \< 50 degrees and d(C.Ph) \<= 4.3 angstrom) in BzTMA cations increase with RH and are highest at RH = 90\%. The cumulative impact of electrostatic, cation/Ph, and C-H/Ph interactions results in lower conductivity of BzTMA-TFA IL compared to BzTEA-TFA IL. The EIS measurements show that the trends in ionic conductivity of ILs at RH = 30 and 90\% are qualitatively similar to the Nernst-Einstein conductivity from MD simulations. The ionic conductivity of BzTEA-TFA IL is similar to 3 times higher than BzTMA-TFA IL at 353 K and RH = 90\%.

}, issn = {1520-6106}, doi = {10.1021/jp410487a}, author = {Sunda, Anurag Prakash and Dhavale, Vishal M. and Kurungot, Sreekumar and Venkatnathan, Arun} } @article {46378, title = {Structure of highly active BSH enzyme with subordinated post-translational excision}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAR}, pages = {C272}, type = {Meeting Abstract}, keywords = {Bile salt hydrolase, Mutagenesis, X-ray crystallography}, issn = {2053-2733}, author = {Chand, Deepak and Panigrahi, Priyabrata and Ramasamy, Sureshkumar and Suresh, C. G.} } @article { ISI:000337786700050, title = {Structure sensitive chemical reactivity by palladium concave nanocubes and nanoflowers synthesised by a seed mediated procedure in aqueous medium}, journal = {Nanoscale}, volume = {6}, number = {13}, year = {2014}, month = {JUN}, pages = {7496-7502}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Palladium nanocubes and their transformation to concave nanocubes and nanoflowers are realised by a seed mediated procedure in aqueous medium and at room temperature using cationic surfactants. The concave nanocubes and nanoflowers were found to be enclosed by high index facets. The under coordinated atoms present on the high index facets make these nanostructures chemically more active towards Suzuki coupling and Heck coupling reactions compared to the conventional nanocubes and spherical nanoparticles of similar size.

}, issn = {2040-3364}, doi = {10.1039/c4nr01283f}, author = {Sreedhal, S. and Sudheeshkumar, V. and Vinod, C. P.} } @article { ISI:000335660200006, title = {Studies on morphology of polyaniline films formed at liquid-liquid and solid-liquid interfaces at 25 and 5 A degrees C, respectively, and effect of doping}, journal = {Colloid and Polymer Science}, volume = {292}, number = {5}, year = {2014}, month = {MAY}, pages = {1079-1089}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

It is well accepted that the morphology of the nanomaterials has great effect on the properties and hence their applications. Therefore, morphology of materials has become a focus of research in the scientific world. The present study shows that interfacial polymerization and subsequent self-assembly provides a control over the morphology, nanorod/nanosheet, of polyaniline (PANI) films synthesized by liquid-liquid interface reaction technique and solid-liquid interface reaction technique. The synthesized PANI films and its particulate structure are characterized by using various spectroscopic techniques such as UV-visible, ATR-IR, Raman and XPS. The study confirmed the formation, the structure, the size and shape of particles and morphology of PANI by using analytical techniques namely, SAED, SEM and TEM. An important observation is that doping with HCl significantly improves the nanorod formation at the interface. The doped PANI electrode exhibits a higher area with rectangular shape in CV cycle and better cycle stability when compared with the performance of undoped PANI films. We believe that the results of these studies can give valuable leads to manoeuvre formation of PANI films with desired morphology for various applications.

}, keywords = {interfacial polymerization, Liquid-liquid interface, Nanorods, nanosheets, polyaniline, Self-assembly, Solid-liquid interface, Thin films}, issn = {0303-402X}, doi = {10.1007/s00396-013-3150-3}, author = {Waghmode, Babasaheb J. and Patil, Sagar H. and Jahagirdar, Mandar M. and Patil, Virendra S. and Waichal, Rupali P. and Malkhede, Dipalee D. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article { ISI:000346624500001, title = {Study of base-catalyzed aldol reaction of trimethylsilyl enolates}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {53}, number = {12}, year = {2014}, month = {DEC}, pages = {1553-1560}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

Mukaiyama-type aldol reaction of trimethylsilyl enolates with aldehydes in the presence of a base is a complicated reaction. It usually results in various products determined by the nature of base and reaction medium. The present study has been undertaken to understand these factors and design new Lewis base catalysts to optimize the yield of desired aldol product. It has been shown that mild Bronsted base with inbuilt hydrogen bonding sites are efficient catalysts for the reactions involving trimethylsilyl enolates. Based on the observed results, a mechanism is proposed to explain the reaction outcome.

}, keywords = {Aldol reaction, base catalyzed, carboxylate salts, lithium amides}, issn = {0376-4699}, author = {Sutar, R. L. and Joshi, Navalkishore N.} } @article { ISI:000340538400005, title = {Subtilase from Beauveria sp.: conformational and functional investigation of unusual stability}, journal = {European Biophysics Journal With Biophysics Letters}, volume = {43}, number = {8-9}, year = {2014}, month = {SEP}, pages = {393-403}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Retention of total activity of the subtilisin-like serine protease from Beauveria sp. MTCC 5184 (Bprot) in the vicinity of (1) 3 M GdnHCl for 12 h, (2) 50 \% methanol and dimethyl sulfoxide each for 24 h, and (3) proteolytic enzymes (trypsin, chymotrypsin, and proteinase K) for 48 h led to expect the enzyme to be a kinetically stable protein. Also, the structure of the protein was stable at pH 2.0. Biophysical characterization and conformational transitions were monitored using steady-state and time-resolved fluorescence, FTIR, and CD spectroscopy. Single tryptophan in the protein exists as two conformers, in hydrophobic and polar environment. The secondary structure of Bprot was stable in 3 M GdnHCl as seen in far-UV CD spectra. The active fraction of Bprot obtained from size-exclusion chromatography in the presence of GdnHCl (1.0-3.0 M) eluted at reduced retention time. The peak area of inactive or denatured protein with the same retention time as that of native protein increased with increasing concentration of denaturant (1.0-4.0 M GdnHCl). However, the kinetics of GdnHCl-induced unfolding as studied from intrinsic fluorescence revealed k (unf) of native protein to be 5.407 x 10(-5) s(-1) and a half-life of 3.56 h. The enzyme is thermodynamically stable in spite of being resistant to the denaturant, which could be due to the effect of GdnHCl imparting rigidity to the active fraction and simultaneously unfolding the partially unfolded protein that exists in equilibrium with the folded active protein. Thermal and pH denaturation of Bprot exhibited interesting structural transitions.

}, keywords = {Beauveria, Chemical denaturation, Conformational transitions, Serine protease, Subtilase, Thermal denaturation, Thermodynamic stability}, issn = {0175-7571}, doi = {10.1007/s00249-014-0971-z}, author = {Dalal, Sayli A. and More, Snehal V. and Shankar, Shiv and Laxman, Ryali Seeta and Gaikwad, Sushama M.} } @article {46398, title = {Sulfonic acid loaded self-standing covalent organic membrane for proton conduction}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {70}, year = {2014}, month = {MAY}, pages = {C1150}, type = {Meeting Abstract}, keywords = {COF, Membrane, proton conduction}, issn = {2053-2733}, author = {Sasmal, Himadri Sekhar and Banerjee, Rahul} } @article { ISI:000332188100002, title = {Superior grafting and state-of-the-art interfacial electron transfer rates for newly designed geminal dicarboxylate bound ruthenium(II)- and osmium(II)-polypyridyl dyes on TiO2 nanosurface}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {8}, year = {2014}, month = {FEB}, pages = {3864-3877}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Two new Ru(II)-/Os(II)-polypyridyl based sensitizer dyes with geminal dicarboxylic acid group as the binding unit for superior grafting of the dye to TiO2 have been designed and synthesized. Steady-state photochemical studies of the two sensitizer dyes in presence of TiO2 in water confirm strong binding of the dyes to TiO2. Femtosecond transient absorption studies of these newly synthesized dyes on TiO2 nanosurface have been carried out in water and the results have been compared with those for the corresponding 4,4{\textquoteright}-dicarboxy-2,2{\textquoteright}-bipyridine analogues of the dyes. While the charge recombination rates are considerably slower, interestingly, the electron injection rates are very fast for multiple saturated C-C linkages present between the chromophoric core and the anchoring moiety. The origin and the consequences of such profound effects on the ultrafast interfacial dynamics are discussed. This is the first report on the ultrafast transient absorption studies of dyes with geminal dicarboxylic acid binding groups, which we believe will add significantly to the present research efforts toward the development of robust and efficient dyes for use in dye solar applications.

}, issn = {1932-7447}, doi = {10.1021/jp4077917}, author = {Banerjee, Tanmay and Biswas, Abul Kalam and Reddy, Upendar G. and Sahu, Tuhin Subhra and Das, Amitava and Ganguly, Bishwajit and Ghosh, Hirendra Nath} } @article { ISI:000343613000075, title = {Supramolecular transitions in native cellulose-I during progressive oxidation reaction leading to quasi-spherical nanoparticles of 6-carboxycellulose}, journal = {Carbohydrate Polymers}, volume = {113}, year = {2014}, month = {NOV}, pages = {615-623}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Cellulose-I swells considerably in phosphoric acid, and converts to amorphous cellulose via a cellulose-II transition state. Controlled oxidation of cellulose-I to 6-carboxycellulose (6CC) using HNO3-H3PO4-NaNO2 oxidation system led to the selective production of 6CC{\textquoteright}s of varying carboxyl contents (1.7-22\%) as well as various shapes and sizes (macro-sized fibrils of several micron length and/or spherical nanoparticles of 25-35 nm), depending on the reaction conditions. 6CC{\textquoteright}s having less than 14\% carboxyl content were largely in cellulose-II form (WAXRD values in-between cellulose I and cellulose II), whereas at 14-22\% the 6CC{\textquoteright}s were largely amorphous; only trace crystallinity was observed at 19\% and 22\% carboxyl 6CC. Spherical nanoparticles retained a high degree of crystallinity having cellulose-I structure, whereas the macro-sized fibrils were largely converted to cellulose-II structure. Analysis by WAXRD as well as by CP-MAS C-13 NMR studies gave similar conclusions. Reduced molecular weight with progressive oxidation, including presence of oligomers, was also evident from an increase in the reducing-end carbon peak at similar to 92 ppm. For high oxidation levels (\>14\%) the NMR 92-96 ppm peaks disappeared on extracting with dilute alkali, due to soluble oligomers being removed. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Carboxycellulose, cellulose, Nanoparticles, NMR, WAXRD}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.07.056}, author = {Sharma, Priyanka R. and Rajamohanan, Pattuparambil R. and Varma, Anjanikumar} } @article { ISI:000341464100041, title = {Surface studies on benzophenone doped PDMS microstructures fabricated using KrF excimer laser direct write lithography}, journal = {Applied Surface Science}, volume = {314}, year = {2014}, month = {SEP}, pages = {292-300}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

his paper discusses microfabrication process for benzophenone doped polydimethylsiloxane (PDMS) using laser lithography. KrF excimer laser of 248 nm with 20 ns pulse width at repetition rate of 1 Hz was used for microfabrication of undoped and benzophenone doped PDMS. The doped-PDMS shows sensitivity below 365 nm, permitting processing under ambient light. The analysis of etch depth revealed that doped PDMS shows self developable sensitivity at lower fluence of similar to 250 mJ/cm(2). The unexposed and exposed surface was studied using Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and Scanning electron microscopy (SEM). Spectrocopic analysis indicated increase in C-O, C=O, Si-O-3 and Si-O-4 bonding at the expense of Si-C and Si-O-2 bonds of PDMS. In case of laser exposed doped-PDMS, removal of benzophenone from probe depth of spectroscopy was observed. Whereas the surface morphology of exposed and unexposed doped-PDMS was observed to be same, indicating clean development of PDMS micropattems. The present study indicates that addition of 3.0 wt.\% benzophenone in PDMS enhance self development sensitivity of PDMS. The self developable results on doped-PDMS are quite encouraging for its potential use in point of care Lab-On-Chip applications, for fabricating micropattems using direct write laser lithography technology.\ 

}, keywords = {Direct write laser lithography, Microfabrication, micropatterning, Poly(dimethylsiloxane) (PDMS)}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2014.06.054}, author = {Kant, Madhushree Bute and Shinde, Shashikant D. and Bodas, Dhananjay S. and Patil, K. R. and Sathe, V. G. and Adhi, K. P. and Gosavi, S. W.} } @article { ISI:000341779000037, title = {Surfactant free gram scale synthesis of mesoporous Ni(OH)(2)-r-GO nanocomposite for high rate pseudocapacitor application}, journal = {RSC Advances}, volume = {4}, number = {75}, year = {2014}, month = {AUG}, pages = {39875-39883}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report a single-step surfactant-free gram scale hydrothermal synthesis of mesoporous Ni(OH)(2) nanoparticles and the Ni(OH)(2)-reduced graphene oxide (Ni(OH)(2)-r-GO) nanocomposite. Interesting morphological features are noted. These nanomaterials are examined and compared as cathode materials for pseudo-capacitor application through detailed characterizations. A high specific capacitance (C-s) of 1538 F g(-1) is observed for Ni(OH)(2)-r-GO even at a high current density of 40 A g(-1), whereas at the same current rate, bare Ni(OH)(2) shows C-s of only 936 F g(-1).

}, issn = {2046-2069}, doi = {10.1039/c4ra06601d}, author = {Singh, Upendra and Banerjee, Abhik and Mhamane, Dattakumar and Suryawanshi, Anil and Upadhyay, Kush Kumar and Ogale, Satishchandra} } @article { ISI:000333205200038, title = {Synthesis and characterization of 3-[N,N {\textquoteleft}-bis-3-(salicylidenamino)ethyltriamine] Mo(VI)O-2@SBA-15: a highly stable and reusable catalyst for epoxidation and sulfoxidation reactions}, journal = {RSC Advances}, volume = {4}, number = {27}, year = {2014}, month = {MAR}, pages = {14063-14073}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The efficient and reusable oxidation catalyst 3-[N,N{\textquoteright}-bis-3-(salicylidenamino)ethyltriamine] Mo(VI)O-2@SBA-15 has been synthesized by the anchoring of the 3-[N,N-bis-3-(salicylidenamino)ethyltriamine] ligand (L or Salpr) on the inner surfaces of organofunctionalized SBA-15 and subsequent complexation with Mo(VI) O-2(acac)(2). The physico-chemical properties of the functionalized catalysts were analyzed by elemental analysis, ICP-OES, XRD, N-2-sorption measurements, TG \& DTA, solid state C-13, Si-29 NMR spectroscopy, FT-IR, Raman spectroscopy, XPS, DRS UV-Vis spectroscopy, SEM and TEM. XRD and N-2 sorption analyses helped to find out the morphological and textural properties of the synthesized catalysts and confirm that an ordered mesoporous channel structure was retained even after the multistep synthetic procedures. The (100), (110) and (200) reflections in SBA-15 provide hints of a good structural stability, the existence of long range ordering and a high pore wall thickness. TG and DTA results reveal that the thermal stability of (L)Mo(VI)O-2@SBA-15 was maintained up to 300 degrees C. The organic moieties anchored over the surface of the SBA-15 support were determined by solid state C-13 NMR and FT-IR spectroscopy. Further, solid state Si-29 NMR spectroscopy provides the information about the degree of functionalization of the surface silanol groups with the organic moiety. The electronic environment and the oxidation state of the molybdenum site in (L)Mo(VI)O-2@SBA-15 were monitored by Raman spectroscopy, XPS and DRS UV-Vis techniques. Moreover, the morphology and topographic information of the synthesized catalysts were confirmed by SEM and TEM imaging. The synthesized catalysts were evaluated in epoxidation and sulfoxidation reactions, and the results show that (L)Mo(VI)O-2@SBA-15 exhibits high conversion and selectivity towards epoxidation and sulfoxidation reactions in combination with high stability. The anchored solid catalysts can be recycled effectively and reused several times without major loss in activity. In addition, Sheldon{\textquoteright}s hot filtration test was also carried out.

}, issn = {2046-2069}, doi = {10.1039/c3ra47222a}, author = {Lazar, Anish and Thiel, Werner R. and Singh, A. P.} } @article { ISI:000341939000041, title = {Synthesis and electrochemical performance of a single walled carbon nanohorn-Fe3O4 nanocomposite supercapacitor electrode (vol 3, pg 21390, 2013)}, journal = {RSC Advances}, volume = {4}, number = {78}, year = {2014}, month = {SEP}, pages = {41483}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {2046-2069}, doi = {10.1039/c4ra90002b}, author = {Deshmukh, Ashvini B. and Shelke, Manjusha V.} } @article { ISI:000330048400019, title = {Synthesis and electrochemistry of pseudocapacitive multilayer fullerenes and MnO2 nanocomposites}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {7}, year = {2014}, month = {NOV}, pages = {2152-2159}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Electrode materials with efficient capabilities for ionic and electronic transport are key to high performance supercapacitors. Here, we demonstrate a simple and comparatively low temperature synthesis of functionalized multilayer fullerenes so called carbon nano-onions (CNOs) as the electrode for high performance electrochemical supercapacitors. The exohedral type supercapacitor formed due to nonporous CNOs showed higher specific capacitance than conventional graphitic/mesoporous/activated carbons. Surface redox functionalities of these CNOs add up to significant pseudocapacitance. Further in situ incorporation of MnO2 nanoparticles to these CNOs increased the specific capacitance up to 1207 F g(-1), which is close to the theoretical value of pseudocapacitive MnO2.

}, issn = {2050-7488}, doi = {10.1039/c3ta14076h}, author = {Azhagan, Muniraj Vedi Kuyil and Vaishampayan, Mukta V. and Shelke, Manjusha V.} } @article { ISI:000343072300047, title = {Synthesis and electrochemistry of pseudocapacitive multilayer fullerenes and MnO2 nanocomposites (vol 2, pg 2152, 2014)}, journal = {Journal of Materials Chemistry A}, volume = {2}, number = {40}, year = {2014}, month = {OCT}, pages = {17186}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {2050-7488}, doi = {10.1039/c4ta90149e}, author = {Azhagan, Muniraj Vedi Kuyil and Vaishampayan, Mukta V. and Shelke, Manjusha V.} } @article { ISI:000332351800006, title = {Synthesis and in situ observation of 3D super lattices of gold nanoparticles using oil-in-water emulsion}, journal = {Journal of Colloid and Interface Science}, volume = {420}, year = {2014}, month = {APR}, pages = {41-49}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

In this work oil-in-water emulsion has been successfully used as a confined environment to grow 3D superlattices of gold nanoparticles. The superlattices were grown from 5 nm uniform gold nanoparticles using slow destabilization method. The confined environment was created by forming a stable emulsion where the gold colloid suspended in toluene was used as oil phase. Superlattices were also formed in bulk solution using the same slow destabilization method. A comparative study reveals that compact superlattices form more readily inside the emulsion drops as compared to bulk precipitation. The unstable colloid (in bulk or as emulsion) was aged for various periods at 5 degrees C to form more compact superlattices. The best superlattices with sharp corners are observed when the superlattices are formed inside the emulsion and aged for a month. Two key parameters, the incubation temperature and anti-solvent concentration, are optimized to obtain larger superlattices with sharp features. A new method is also demonstrated for in situ observation of superlattice formation using an optical microscope. 2014 Elsevier Inc. All rights reserved.

}, keywords = {3D nanocrystal superlattices, In situ observation of superlattice formation, Monodisperse gold nanoparticles, Nanocrystal superlattices}, issn = {0021-9797}, doi = {10.1016/j.jcis.2013.12.060}, author = {Dutta, Ankur and Chakraborty, Jayanta and Bhagavatula L. V. Prasad and Sahu, Puspanjali} } @article { ISI:000338820600009, title = {Synthesis and luminescence of graphene-nano calcium sulphide composite}, journal = {Materials Chemistry and Physics}, volume = {147}, number = {1-2}, year = {2014}, month = {SEP}, pages = {57-64}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Graphene-nanocrystalline calcium sulphide has been synthesized using in-situ reduction of calcium salt and graphene oxide. Graphene oxide was prepared using Hummer{\textquoteright}s method. Surface morphology and crystal structure of samples were observed by transmission electron microscopy (TEM) and X-Ray diffraction (XRD). Ultra thin graphene and graphene oxide sheets with size ranging between tens to several hundreds of square nanometers are observed in TEM images. The TEM micrographs of G-CaS show that CaS particles are embedded in graphene sheets and the average particle size of CaS particles in the composite is less than 50 nm. The reduction in the intensity of various functional groups in FTIR spectrum also confirms the formation of graphene. The UV-Visible spectra of CaS shows absorption peak at 220 nm with a small shoulder at 250 nm whereas in G-CaS 220 nm absorption peak has reduced intensity and the shoulder at 250 nm has now shifted to 270 nm due to modification in the defect structure of CaS by graphene. CaS and G-CaS shows photoluminescence emission at 470 nm (lambda(exc.) = 375 nm) and 440 nm (lambda(exc.) = 350 nm) respectively, however emission intensity of G-CaS is relatively lower than CaS. Although the emission intensity is found to be lower than CaS, addition of CaS to graphene in G-CaS complex has made graphene luminescent. XPS spectra also indicate reduction of various oxygen containing functional groups in highly reduced graphene oxide and G-CaS. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Luminescence, Nanostructures, powder diffraction, Precipitation}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2014.04.006}, author = {Sharma, Geeta and Patil, K. R. and Gosavi, S. W.} } @article { ISI:000330147900013, title = {Synthesis, characterization and molecular structures of homologated analogs of 2-bromo-3-(n-alkylamino)-1,4-napthoquinone}, journal = {Journal of Molecular Structure}, volume = {1056}, year = {2014}, month = {JAN}, pages = {97-103}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Four analogues of 2-bromo-3-(n-alkylamino)-1,4-napthoquinone (where n-alkyl is methyl in L-1Br, ethyl in L-2Br, propyl in L-3Br and butyl in L-4Br) are synthesized and characterized. A reaction mechanism is proposed for the formation of L-1 Br to L-4Br from the starting material 2,3-dibromo-1,4-naphthoquinone. The v(N-H) frequency in the FT-IR spectra is affected by the intramolecular hydrogen bonding in L-1Br to L-4Br and is observed similar to 3267 cm(-1) in L-2Br. A shift of similar to 25 cm(-1) is observed in the v(C-Br) frequency in all the compounds as compared to 2,3-dibromo-1,4-naphthoquinone (627 cm(-1)). A broad charge transfer band is observed between 400 and 600 nm in the UV-Vis spectra, which imparts red colour to all the compounds. Molecular structures of L-2Br and L-3Br were studied by single crystal X-ray diffraction studies. Molecules of L-2Br crystallize in Pca2(1), whereas the molecule L-3Br crystallizes in the P-1 space group. Molecules of L-2Br forms a polymeric chain through N-H...O interaction and forms beautiful butterfly like arrangement of molecules when viewed down the {\textquoteleft}a{\textquoteright} axis. Ladder like polymeric chain of molecules is observed in L-3Br via C-H...O and N-H...O interactions. Every alternating neighbouring chains of L-3Br, show pi-pi stacking interactions between the quinonoid rings of the molecules, however this interaction is not observed in L-2Br. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {2, 3-Dibromo-1, 4-naphthoquinone, Aminonaphthoquinone, hydrogen bonding, Michael addition, pi-pi stacking}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2013.10.016}, author = {Salunke-Gawali, Sunita and Pawar, Omkar and Nikalje, Milind and Patil, Rishikesh and Weyhermueller, Thomas and Puranik, Vedavati G. and Konkimalla, V. Badireenath} } @article { ISI:000338348000023, title = {Synthesis, characterization and photocatalytic behavior of TiO2-SiO2 mesoporous composites in hydrogen generation from water splitting}, journal = {Journal of Materials Science}, volume = {49}, number = {18}, year = {2014}, month = {SEP}, pages = {6383-6391}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

TiO2-SiO2 mesoporous composite photocatalysts with different proportions (in wt\%) of TiO2 and SiO2 (TiO2-SiO2 = 20:80, 40:60, 60:40, 80:20 and 100:0) were prepared by loading TiO2 on as-synthesized Si-MCM-41 using sol-gel method. The physicochemical properties of composites were investigated by powder X-ray diffraction, N-2 adsorption-desorption measurements, transmission electron microscopy and UV-Vis diffuse reflectance spectroscopy. It is revealed that the titanium species are dispersed as TiO2 having interaction with the surface of the support. Even at high TiO2 loading, the mesostructural feature of MCM-41 was found to be intact without pore blockages. The change in morphology of TiO2 particle was observed with increase in TiO2 loading which may be due to different environment for the growth of TiO2. The photocatalytic evaluation of composites was carried out in production of hydrogen by water splitting. Among the prepared samples, mesoporous composite containing 60 \% TiO2 (MTi60) has shown the best results (0.08805 mmol of H-2/h/g of TiO2) compared to other composite photocatalysts. The catalytic performance of this sample was further enhanced (similar to 8 times) after loading 1 \% Pt in water splitting (0.70161 mmol of H-2/h/g of TiO2). 1 \% Pt loaded on pure TiO2 (MTi100) showed hydrogen evolution of the magnitude 0.26 mmol of H-2/h/g of TiO2. TiO2-SiO2 mesoporous composite photocatalyst showed much higher activity (similar to 1.9 times) than amorphous silica-embedded titania catalyst having same composition.

}, issn = {0022-2461}, doi = {10.1007/s10853-014-8365-2}, author = {Niphadkar, P. S. and Chitale, S. K. and Sonar, S. K. and Deshpande, Suvarna S. and Joshi, P. N. and Awate, S. V.} } @article { ISI:000339378200013, title = {Synthesis of 2,5-furandicarboxylic acid by the aerobic oxidation of 5-hydroxymethyl furfural over supported metal catalysts}, journal = {Reaction Kinetics Mechanisms and Catalysis}, volume = {112}, number = {1}, year = {2014}, month = {JUN}, pages = {173-187}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Supported Pt catalysts are synthesized, characterized and are used in the liquid phase air oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-furandicarboxylic acid (FDCA). Under the optimum reaction conditions of a stepwise increase in the reaction temperature (75 and 140 degrees C for 12 h each), we achieved as high as 96 \% FDCA yield in presence of 1 bar oxygen pressure over Pt/c-Al2O3. It is shown that as the oxygen pressure increases (1-10 bar), the FDCA yields decrease, since at higher partial pressure of oxygen, overoxidation reactions of substrate and product(s) are possible. It is interesting to note that even with air as an oxidant, we obtained similar yields of FDCA as that with oxygen. Moreover, the effects of base (weak or strong), its concentration (equimolar or excess) were studied in detail. It is important to increase the reaction temperature in a stepwise manner to achieve higher yields of FDCA since at higher temperatures HMF undergoes self-degradation and thus the yields of FDCA decrease. The self-degradation of HMF is also proved by undertaking the reaction under nitrogen environment. The study on the effect of substrate-to-catalyst ratio is done to improve up on the economics of overall process. The effect of supports (reducible and non-reducible) and their oxygen storage capacity is discussed and is proposed to be one of the factors to change the course of reaction. Furthermore, we have shown that FDCA formed in the reaction can be successfully isolated (91 \%, isolated yield) in the pure form and its purity is confirmed by NMR, melting point, and elemental analysis. The catalysts were characterized with X-ray powder diffraction, transmission electron microscopy and inductively coupled plasma-optical emission spectroscopy techniques.

}, keywords = {Biomass, FDCA, green chemistry, heterogeneous catalyst, HMF, Impregnation, Oxidation}, issn = {1878-5190}, doi = {10.1007/s11144-014-0689-z}, author = {Sahu, Ramakanta and Dhepe, Paresh Laxmikant} } @article { ISI:000344525500041, title = {Synthesis of a recyclable and efficient Pd(II) 4-(2-pyridyl)-1,2,3-triazole complex over a solid periodic mesoporous organosilica support by {\textquoteleft}{\textquoteleft}click reactions{\textquoteright}{\textquoteright} for the stille coupling reaction}, journal = {RSC Advances}, volume = {4}, number = {81}, year = {2014}, month = {AUG}, pages = {43070-43079}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A highly efficient, reusable B-PMO-TZ-Pd(II) catalyst was synthesized by anchoring 4-(2-pyridyl)-4-(2-pyridyl)-1,2,3-triazole ligand over the surface of an organo-functionalized benzene support containing periodic mesoporous organosilica (B-PMO) via {\textquoteleft}{\textquoteleft}click reaction{\textquoteright}{\textquoteright} and the subsequent complexation with PdCl2. B-PMO materials with uniform hexagonal arrangements were prepared using C-16 alkyl trimethyl ammonium bromide [CTAB] surfactant under basic conditions. The physiochemical properties of the functionalised catalyst were analysed by elemental analysis, ICP-OES, XRD, N-2 sorption, TGA \& DTA, solid state C-13, Si-29 NMR spectra, FT-IR, XPS, UV-vis, SEM and TEM. XRD and N-2 sorption revealed the morphological and textural properties of the synthesized catalyst, confirming that ordered mesoporous channel structure was retained even after the multistep synthetic procedure. The (100), (110) and (200) reflections in B-PMO are evidence of its good structural stability and the existence of long range order. The TGA-DTA results reveal that the synthesized catalyst B-PMO-TZ-Pd(II) was thermally stable, even at high temperature. The organic moieties anchored over the surface of B-PMO were demonstrated by solid state C-13 NMR and FT-IR spectroscopy. Solid state Si-29 NMR spectroscopy provides information about the degree of functionalization of the surface silanol group. The electronic environment and oxidation state of Pd in B-PMO-TZ-Pd(II) were monitored by XPS and UV-visible techniques. Moreover, the morphologies and topographic information of the synthesized B-PMO-TZ-Pd(II) catalyst were confirmed by SEM and TEM analyses. The catalytic properties of the catalyst for the Stille coupling reaction were screened, and higher catalytic activities with high TONs were observed. The anchored solid B-PMO-TZ-Pd(II) catalyst can be recycled efficiently and reused several (four) times without a major loss in reactivity.

}, issn = {2046-2069}, doi = {10.1039/c4ra06459c}, author = {Sharma, Priti and Singh, A. P.} } @article { ISI:000340525300012, title = {Synthesis of alpha,beta-unsaturated delta-lactones by vinyl acetate mediated asymmetric cross-aldol reaction of acetaldehyde: mechanistic insights}, journal = {European Journal of Organic Chemistry}, number = {24}, year = {2014}, month = {AUG}, pages = {5247-5255}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A tandem asymmetric cross-aldol reaction involving the in situ generation of acetaldehyde from vinyl acetate has been developed that may resolve the challenges associated with the handling of acetaldehyde. The simple protocol, mild reaction conditions and unique harmony of an organocatalyst with a biocatalyst make this method a valuable tool for the synthesis of asymmetric beta-hydroxy aldehydes. By using this methodology we have accessed alpha,beta-unstaurated delta-lactones as well as isochromenones with high enantioselectivities from both asymmetric beta-hydroxy aldehydes and ketones. Systemic density functional theory (DFT) studies were also performed to gain mechanistic insights into the role of hydrogen bonding in the asymmetric cross-aldol reaction of acetaldehyde and in the key cis/trans isomerisation step in the synthesis of d-lactones.

}, keywords = {Aldol reactions, asymmetric catalysis, lactones, reaction mechanisms}, issn = {1434-193X}, doi = {10.1002/ejoc.201402551}, author = {Kumar, Manjeet and Kumar, Arvind and Rizvi, Masood and Mane, Manoj and Vanka, Kumar and Taneja, Subhash C. and Shah, Bhahwal Ali} } @article { ISI:000333686000001, title = {Synthesis of ciprofloxacin-conjugated poly(L-lactic acid) polymer for nanofiber fabrication and antibacterial evaluation}, journal = {International Journal of Nanomedicine}, volume = {9}, year = {2014}, month = {MAR}, pages = {1463-1477}, publisher = {DOVE MEDICAL PRESS LTD}, address = {PO BOX 300-008, ALBANY, AUCKLAND 0752, NEW ZEALAND}, abstract = {

Ciprofloxacin was conjugated with polylactide (PLA) via the secondary amine group of the piperazine ring using PLA and 7-(4-(2-Chloroacetyl) piperazin-1-yl)-1-cyclopropyl-6-fluoro-1, 4-dihydro-4-oxoquinoline-3-carboxylic acid. Zinc prolinate, a biocompatible catalyst was synthesized, characterized, and used in ring opening polymerization of L-lactide. Five different kinds of OH-terminated poly(L-lactide) (two-, three-, four-, six-arm, star-shaped) homopolymers were synthesized by ring opening polymerization of L-lactide in the presence of dodecanol, glycerol, pentaerythritol, dipentaerythritol as initiator and zinc prolinate as a catalyst. The structures of the polymers and conjugates were thoroughly characterized by means of gel permeation chromatography, matrix-assisted laser desorption/ionization-time of flight mass spectrometry, and nuclear magnetic resonance spectroscopy. PLA (molecular weight = 100,000) and ciprofloxacin conjugated PLA were used for fabrication of nonwoven nanofiber mat (diameter ranges; 150-400 nm) having pore size (62-102 nm) using electrospinning. The microbiological assessment shows that the release of ciprofloxacin possesses antimicrobial activity. The drug-release behavior of the mat was studied to reveal potential application as a drug delivery system. The result shows that the ciprofloxacin release rates of the PLA conjugate nonwoven nanofiber mat could be controlled by the drug loading content and the release medium. The development of a biodegradable ciprofloxacin system, based on nonwoven nanofiber mat, should be of great interest in drug delivery systems.

}, keywords = {antibacterial activity, ciprofloxacin conjugated polylactides, CP-PLA, drug release, electrospinning, MDR, nonwoven nanofibers, zinc prolinate}, issn = {1178-2013}, doi = {10.2147/IJN.S54971}, author = {Parwe, Sharad P. and Chaudhari, Priti N. and Mohite, Kavita K. and Selukar, Balaji S. and Nande, Smita S. and Garnaik, Baijayantimala} } @article { ISI:000340579200011, title = {Synthesis of fatty monoester lubricant base oil catalyzed by Fe-Zn double-metal cyanide complex}, journal = {Journal of Chemical Sciences}, volume = {126}, number = {4}, year = {2014}, month = {JUL}, pages = {997-1003}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Fatty monoester lubricant base oils as high as 96.7 mol\% were prepared by reacting methyl oleate with long-chain alcohols viz., 2-ethyl-1-hexanol (C-8-OH), 1-decanol (C10OH) and 1-dodecanol (C12OH) in the presence of a solid Fe-Zn double-metal cyanide (DMC) complex catalyst. Unlike many other acid catalysts, DMC doesn{\textquoteright}t produce undesired ether side products. The catalyst was reusable in four recycling experiments with little loss in catalytic activity and ester yield. The long-chain esters prepared in the study have the desired physical properties for their application as lubricant base oils.

}, keywords = {Fatty monoester, Fe-Zn double-metal cyanide (DMC) catalyst, lubricant base oil, transesterification}, issn = {0974-3626}, author = {Raut, Ravindra K. and Shaikh, Mehejabeen and Darbha, Srinivas} } @article { ISI:000344379900113, title = {Synthesis of green nano iron particles (GnIP) and their application in adsorptive removal of As(III) and As(V) from aqueous solution}, journal = {Applied Surface Science}, volume = {317}, year = {2014}, month = {OCT}, pages = {1052-1059}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

{The present study reports a new approach to synthesise nano iron particles using leaf extract of Mint (Mentha spicata L.) plant. The synthesised GnIPs were subjected to detailed adsorption studies for removal of arsenite and arsenate from aqueous solution of defined concentration. Iron nanoparticles synthesised using leaf extract showed UV-vis absorption peaks at 360 and 430 nm. TEM result showed the formation of polydispersed nanoparticles of size ranging from 20 to 45 nm. Nanoparticles were found to have core-shell structure. The planer reflection of selected area electron diffraction (SAED) and XRD analysis suggested that iron particles were crystalline and belonged to fcc (face centred cubic) type. Energy-dispersive X-ray analysis (EDAX) shows that Fe was an integral component of synthesised nanoparticles. The content of Fe in nanoparticles was found to be 40\%, in addition to other elements like C (16\%), 0 (19\%) and Cl (23\%). FT-IR study suggested that functional groups like NH

}, keywords = {Adsorption, Arsenate, Arsenite, Iron nanoparticles, kinetics, M. spicata L.}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2014.09.042}, author = {Prasad, Kumar Suranjit and Gandhi, Pooja and Selvaraj, Kaliaperumal} } @article { ISI:000328005400055, title = {Synthesis, spectroscopic characterization and structural investigations of new adduct compound of carbazole with picric acid: DNA binding and antimicrobial studies}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {118}, year = {2014}, month = {JAN}, pages = {399-406}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Carbazole picrate (CP), a new organic compound has been synthesized, characterized by various analytical and spectroscopic technique such as FT-IR, UV-Vis, H-1 and C-13 NMR spectroscopy. An orthorhombic geometry was proposed based on single crystal XRD study. The thermal stability of the crystal was studied by using thermo-gravimetric and differential thermal analyses and found that it was stable up to 170 degrees C. Further, the newly synthesized title compound was tested for its in vitro antibacterial and antifungal activity against various bacterial and fungal species. Also, the compound was tested for its binding activity with Calf thymus (CT) DNA and the results show a considerable interaction between CP and CT-DNA. (C) 2013 Elsevier B.V. All rights reserved.

}, keywords = {Antimicrobial activity and DNA-interaction, CP adduct, Single crystal XRD, TG-DTA}, issn = {1386-1425}, doi = {10.1016/j.saa.2013.08.115}, author = {Saravanabhavan, Munusamy and Sathya, Krishnan and Puranik, Vedavati G. and Sekar, Marimuthu} } @article { ISI:000343985600001, title = {Synthetic turn mimetics and hairpin nucleators: quo vadimus?}, journal = {Chemical Communications}, volume = {50}, number = {90}, year = {2014}, month = {OCT}, pages = {13874-13884}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Structural mimicry of peptides has witnessed perceptible progress in the last three decades. Reverse turn and beta-hairpin units are the smallest secondary structural motifs that are some of the most scrutinized functional cores of peptides and proteins. The practice of mimicking, without altering the function of the bioactive core, ranges from conformational locking of the basic skeleton to total replacement of structural architecture using synthetic analogues. Development of heterogeneous backbones - using unnatural residues in place of natural ones - has broadened further opportunities for efficient structural rigidification. This feature article endeavours to trail the path of progress achieved hitherto and envisage the possibilities that lie ahead in the development of synthetic turn mimetics and hairpin nucleators.

}, issn = {1359-7345}, doi = {10.1039/c4cc03114h}, author = {Nair, Roshna V. and Baravkar, Sachin B. and Ingole, Tukaram S. and Sanjayan, Gangadhar J.} } @article {45973, title = {Tailoring the product dstribution with batch and continuous process options in catalytic hydrogenation of furfural}, journal = {Organic Process Research \& Development}, volume = {18}, year = {2014}, month = {NOV}, pages = {1434-1442}, type = {Artical}, abstract = {

Various noble metal catalysts were screened in a batch operation for a furfural (FFR) single-step decarbonylation and hydrogenation reaction to obtain THF in high selectivity. Among these, the 3\% Pd/C showed complete FFR conversion with a total of 80\% selectivity to ring hydrogenated products including tetrahydrofuran (THF). The order of activity exhibited by other noble metals was Pt/C \> Re/C \> Ru/C. Although Pt/C exhibited the highest activity, its decarbonylation and ring hydrogenation ability were the least (24\%) with a major product selectivity of 66\% to furfuryl alcohol (FAL). Similarly, the Cu catalyst gave almost complete selectivity to FAL. In a continuous operation (23 g catalyst bed), the 3\% Pd/C catalyst showed higher selectivity of \>40\% compared to THF alone with complete FFR conversion and on-stream activity of similar to 100 h. The reaction pathway elucidated from some control experiments revealed that the decarbonylation of FFR to furan over the Pd/C catalyst is a prerequisite for THF formation.

}, issn = {1083-6160}, doi = {10.1021/op500196x}, author = {Biradar, Narayan S. and Hengne, Amol A. and Birajdar, Shobha N. and Swami, Rameshwar and Rode, Chandrashekhar V.} } @article {42438, title = {Tandem [4 + 2]/[2 + 2] cycloaddition reactions involving indene or benzofurans and arynes}, journal = {Organic Letters}, volume = {16}, year = {2014}, month = {JUN}, pages = {3576{\textendash}3579}, abstract = {

The reaction of arynes with indene/benzofurans has been developed. The arynes were generated from 2-(trimethylsilyl)aryl triflates by the fluoride-induced 1,2-elimination react with indene or various benzofurans proceeding via a cascade reaction involving the Diels{\textendash}Alder reaction and a [2 + 2] cycloaddition reaction. The tandem process afforded functionalized dihydrobenzocyclobutaphenanthrenes in moderate to good yields. Moreover, the method has been utilized for the one-pot synthesis of benzo[b]fluoranthene.

}, doi = {10.1021/ol501579d}, author = {Bhojgude, Sachin Suresh and Thangaraj, Manikandan and Suresh, Eringathodi and Biju, Akkattu T.} } @article { ISI:000340809600062, title = {Template-free fabrication of highly-oriented single-crystalline 1D-rutile TiO2-MWCNT composite for enhanced photoelectrochemical activity}, journal = {Journal of Physical Chemistry C}, volume = {118}, number = {33}, year = {2014}, month = {AUG}, pages = {19363-19373}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Template-free synthesis of phase pure one-dimensional (1D), single crystalline rutile titania nanorods or wires at low temperature still remains a challenging task due to its complex nature of surface chemistry. In these ID structures, charge transport is highly favored. To further modify the electrical conductivity and optoelectronic properties of these 1D nanostructures, various methods such as doping of TiO2 with metal and nonmetal and synthesis of branched and hybrid structures are developed. If these hybrid structures can directly synthesize on the substrate, the transport of the electron will improve due to reduced grain boundary and exciton recombination. In this contribution, for the first time, we have simultaneously synthesized 1D-rutile TiO2-multiwalled carbon nanotube (MWCNT) composite film directly grown on fluorine dope conducting oxide (FTO) substrate along with 1D-rutile TiO2-MWCNT composite powder. The as-grown nanorods films were single-crystalline and oriented vertically with respect to the substrate, having an average height of similar to 2 mu m. The well connected network of TiO2 with MWCNTs was observed through electron microscopy. The composite film shows positive movement of the flat-band edge and increase in charge carrier density. The TiO2-MWCNT composite was successfully used as photoanode in a dye sensitized solar cell (DSSC) and exhibits a 60\% increase in energy-conversion efficiency compared with only TiO2 nanorods.

}, issn = {1932-7447}, doi = {10.1021/jp5023983}, author = {Sadhu, Subha and Poddar, Pankaj} } @article { ISI:000337521700009, title = {Thermal expansion, anharmonicity and temperature-dependent Raman spectra of single- and few-layer MoSe2 and WSe2}, journal = {ChemPhysChem}, volume = {15}, number = {8}, year = {2014}, month = {JUN}, pages = {1592-1598}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

We report the temperature-dependent Raman spectra of single-and few-layer MoSe2 and WSe2 in the range 77-700 K. We observed linear variation in the peak positions and widths of the bands arising from contributions of anharmonicity and thermal expansion. After characterization using atomic force microscopy and high-resolution transmission electron microscopy, the temperature coefficients of the Raman modes were determined. Interestingly, the temperature coefficient of the A(2u)(2) mode is larger than that of the A(1g) mode, the latter being much smaller than the corresponding temperature coefficients of the same mode in single-layer MoS2 and of the G band of graphene. The temperature coefficients of the two modes in single-layer MoSe2 are larger than those of the same modes in single-layer WSe2. We have estimated thermal expansion coefficients and temperature dependence of the vibrational frequencies of MoS2 and MoSe2 within a quasi-harmonic approximation, with inputs from first-principles calculations based on density functional theory. We show that the contrasting temperature dependence of the Raman-active mode A(1g) in MoS2 and MoSe2 arises essentially from the difference in their strainphonon coupling.

}, issn = {1439-4235}, doi = {10.1002/cphc.201400020}, author = {Late, Dattatray J. and Shirodkar, Sharmila N. and Waghmare, Umesh V. and Dravid, Vinayak P. and Rao, C. N. R.} } @article { ISI:000343613800043, title = {Thermal stability of cellulose and their nanoparticles: Effect of incremental increases in carboxyl and aldehyde groups}, journal = {Carbohydrate Polymers}, volume = {114}, year = {2014}, month = {DEC}, pages = {339-343}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Oxidized cellulose containing carboxyl and aldehyde functional groups represent an important class of cellulose derivatives. In this study effect of incrementally increasing COOH and CHO groups at C2, C3, and C6 positions of cellulose and nanocellulose has been investigated, with a view to understanding their effect on thermal treatment of cellulose. The results show that 2,3-dialdehyde cellulose (DAC) is the most thermally stable oxidized product of cellulose while the most unstable derivatives contain carboxyl group at the C6 position (6CC). Carboxymethylcellulose (CMC), with carboxymethyl group on C6 position, is more stable than 6CC. Multi-functionalized celluloses 2,3,6-tricarboxycellulose and 6-carboxy-2,3-dialdehyde, have the same level of thermal stability as 6CC, showing that the presence of carboxyl at the C6 is a key destabilizing factor in the thermal stability of oxidized cellulose products. More the number of reducing end groups on the polymer chain, lower the thermal stability of the cellulose, as proved by comparing the TGA/DTG of monomeric analogs dextrose, cellobiose and glucuronic acid with the oxidized celluloses. The thermal stability trend observed for oxidized celluloses was DAC \> DCC \> nanoparticles \> dextrose \>glucuronic acid, caused by extent of reducing ends and COOH groups. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {2, 3, 3-Dialdehyde cellulose, 6-Carboxycellulose, 6-Tricarboxycellulose, cellulose, TGA/DTG}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.08.032}, author = {Sharma, Priyanka R. and Varma, Anjanikumar} } @article {45935, title = {(Thio)urea-mediated benzoxazinone opening: mild approach towards synthesis of o-(substituted amido)benzamides}, journal = {RSC Advances}, volume = {4}, year = {2014}, month = {NOV}, pages = {6858 to 7367}, type = {Journal Article}, abstract = {C-terminal activation of N-acylated o-aminobenzoic acids and their derivatives during coupling reactions with amines would often pose a challenge due to the formation of a benzoxazinone intermediate, which may resist reacting with amines. This communication reports a mild approach towards the installation of an amide bond via benzoxazinone ring opening utilizing Schreiner{\textquoteright}s (thio)urea organocatalyst. Peptide coupling reactions oen encounter major hurdles because of the formation of side products during carbonyl activation of various amino acids, like N-carboxyanhydride, diketopiperazine etc. 1 1,3-benzoxazinones (Fig. 1) are a class of heterocyclic side products obtained upon C-terminal activation of anthranilic acid and their derivatives due to the intra-molecular cyclization of the benzamide oxygen, resulting in trace or no coupling. 2 Strategies meant either to avert its formation in situ or to react it with amines have been attempted through heating the reactants at elevated temperatures 3 and/or in the presence of bases. 2b,c However, such drastic conditions may cause quinazoline formation as well, owing to a second cyclodehydration of the coupled product. Moreover, applying such drastic conditions to amino acids may not be advisable due to the possibility of epimerization. We have been interested for quite some time in the devel-opment of foldamers containing the Ant{\textendash}Pro reverse-turn motif (Ant {\textonequarter} anthranilic acid, Pro {\textonequarter} proline), Fig. 1. 4 The striking feature of this motif is its robust 9-membered-ring intra-molecular H-bonding network. Occasionally, the formation of a benzoxazinone intermediate causes a drastic fall in the yield of coupled products. 5 Owing to the reduced reactivity of benzox-azinones towards amine nucleophiles, we attempted different conditions, such as heating the reaction mixture and under microwave conditions. Unfortunately, these procedures led to only partial conversion of the oxazinone into the product. Aer extensive effort, we were successful in developing an efficient method for coupling a range of isolated benzoxazinone inter-mediates via nucleophilic ring-opening utilizing DBU (1,8-dia-zabicycloundec-7-ene) in DMF containing A molecular sieves. 5 However, in a few cases, this method produced only meagre yields of the coupled product. One such instance was the reac-tion of 2-(2-azidopropan-2-yl)-2H-benzo[d][1,3]oxazin-4-one 1a, Table 1 (isolated as the major by-product on activation of 2-(2-azido-2-methylpropanamido)benzoic acid) with H-L Pro-OBn to obtain compound 2a. Scanty yields of the product isolated under DBU-mediated opening conditions impelled us to explore a carbonyl activation route to open the azlactone moiety. Hence, we employed some lactone activating agents, such as Sc(OTf) 3 , Ti(O i Pr) 4 etc., but none of the trials were rewarding.}, issn = {2046-2069}, doi = { 10.1039/c3ra45903a}, author = {Nair, R. V. and Sanjayan, G. J.} } @article { ISI:000341230100001, title = {Time and temperature effects on the digestive ripening of gold nanoparticles: is there a crossover from digestive ripening to ostwald ripening?}, journal = {Langmuir}, volume = {30}, number = {34}, year = {2014}, month = {SEP}, pages = {10143-10150}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The effects of time and temperature on the gold nanoparticle sizes obtained by digestive ripening have been investigated. In digestive ripening, a polydisperse colloid, upon refluxing with a surface-active ligand in a solvent, gets converted to a nearly monodisperse one. In this study, a polydisperse gold nanoparticle system was heated in 4-tert-butyltoluene with hexadecanethiol at different temperatures, viz., 60, 90, 120, 150, and 180 degrees C for different time periods, and the trends in particle size variations were recorded. At lower temperatures such as 60 and 90 degrees C, after the initial narrowing of the size distribution, the particle sizes remain constant even though the refluxing step is continued for 24 h, substantiating the prevalence of the digestive ripening process. However, at elevated temperatures (120, 150, and 180 degrees C) particle sizes grow continuously, indicating a deviation from the digestive ripening behavior to an Ostwald ripening-type phenomenon.

}, issn = {0743-7463}, doi = {10.1021/la500914j}, author = {Sahu, Puspanjali and Bhagavatula L. V. Prasad} } @article { ISI:000345975300012, title = {Titania nanoparticles stabilized HPA in SBA-15 for the intermolecular hydroamination of activated olefins}, journal = {ChemCatChem}, volume = {6}, number = {12}, year = {2014}, month = {DEC}, pages = {3347-3354}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A liquid phase hydroamination (HA) of alpha,beta-ethylenic compounds with amines was investigated with TiO2 nanoparticles stabilized 12-tungstophosphoric acid (TPA) in SBA-15. The catalysts were prepared by wet impregnation of TPA/TiO2 nanoparticles into the SBA-15 and calcined at different temperatures. The characterization results reveal that the textural properties and the acidity of the prepared catalysts can be finely controlled with the simple adjustment of the calcination temperature and the structure of the support, decorated with the TiO2 and TPA nanoparticles, was intact even after the modification. The prepared catalysts were investigated for HA of ethyl acrylate with different aromatic and aliphatic amines over a wide range of reaction conditions to optimize the yield and the selectivity of product. It was found that this process is 100\% atom efficient and the catalytic performance depended significantly on the loading of TPA over the catalyst and the calcination temperature. Under optimized reaction conditions, the best catalyst, 15 wt\% TPA/22.4 wt\% TiO2/SBA-15 calcined at 1123 K, offered the highest conversion of p-ethylaniline (70\%) with 100\% chemo-selectivity to the anti-Markovnikov product, i.e., the mono-addition product. The reaction was heterogeneously catalyzed and no contribution from leached TPA into the reaction was observed.

}, keywords = {heteropoly acids, hydroamination, mesoporous materials, nanocatalysts}, issn = {1867-3880}, doi = {10.1002/cctc.201402449}, author = {Sawant-Dhuri, Dhanashri and Balasubramanian, Veerappan V. and Ariga, Katsuhiko and Park, Dae-Hwan and Choy, Jin-Ho and Cha, Wang Soo and Al-deyab, Salem S. and Halligudi, Shivappa B. and Vinu, Ajayan} } @article { ISI:000336158700036, title = {Triple nanocomposites of CoMn2O4, Co3O4 and reduced graphene oxide for oxidation of aromatic alcohols}, journal = {Catalysis Science \& Technology}, volume = {4}, number = {6}, year = {2014}, month = {MAY}, pages = {1771-1778}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A composite of reduced graphene oxide (RGO) with oxides of manganese and cobalt together was prepared by a solvothermal method. During synthesis, both the reduction of graphene oxide as well as the growth of nanorod shaped CoMn2O4 and Co3O4 occurred simultaneously having a crystallite size of similar to 8 nm calculated from X-ray diffraction (XRD). The as-obtained triple nanocomposite material designated as RGO-MnCoO exhibited excellent activity for the liquid phase aerobic oxidation of aromatic alcohols under base-free conditions selectively giving the corresponding aldehydes (\>85\%). RGO loading was varied in the range of 1-10\%, among which 1\% RGO-MnCoO showed maximum catalytic activity enhancement of 24\% as compared to the bare mixed oxide (MnCo-MO) for the oxidation of vanillyl alcohol. HR-TEM of RGO-MnCoO revealed that it was a composite material having uniform nanotubes of similar to 25 nm length and 6 nm diameter with a fringe pattern showing the (103) and (004) planes and lattice spaces of 0.26 nm and 0.22 nm, respectively, for the spinel CoMn2O4. The detailed studies on the morphology, size and composition of the as-prepared RGO-MnCoO nanocomposite by XRD, XPS, N-2-adsorption/desorption and O-2-TPD techniques were used to understand the role of RGO in the enhancement of catalytic activity for oxidation reaction.

}, issn = {2044-4753}, doi = {10.1039/c3cy01025b}, author = {Jha, Ajay and Mhamane, Dattakumar and Suryawanshi, Anil and Joshi, Sameer M. and Shaikh, Parvez and Biradar, Narayan S. and Ogale, Satishchandra and Rode, Chandrashekhar V.} } @article { ISI:000331774700017, title = {Two-in-one: inherent anhydrous and water-assisted high proton conduction in a 3D metal-organic framework}, journal = {Angewandte Chemie-International Edition}, volume = {53}, number = {10}, year = {2014}, month = {MAR}, pages = {2638-2642}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The development of solid-state proton-conducting materials with high conductivity that operate under both anhydrous and humidified conditions is currently of great interest in fuel-cell technology. A 3Dmetal-organic framework (MOF) with acid-base pairs in its coordination space that efficiently conducts protons under both anhydrous and humid conditions has now been developed. The anhydrous proton conductivity for this MOF is among the highest values that have been reported for MOF materials, whereas its water-assisted proton conductivity is comparable to that of the organic polymer Nafion, which is currently used for practical applications. Unlike other MOFs, which conduct protons either under anhydrous or humid conditions, this compound should represent a considerable advance in the development of efficient solid-state proton-conducting materials that work under both anhydrous and humid conditions.

}, keywords = {conducting materials, fuel cells, metal-organic frameworks, porous materials, proton conduction}, issn = {1433-7851}, doi = {10.1002/anie.201309077}, author = {Nagarkar, Sanjog S. and Unni, SreeKuttan M. and Sharma, Amitosh and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article { ISI:000331493200090, title = {Vapor-liquid-solid growth of one-dimensional tin sulfide (sns) nanostructures with promising field emission behavior}, journal = {ACS Applied Materials \& Interfaces}, volume = {6}, number = {3}, year = {2014}, month = {FEB}, pages = {2018-2025}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Single-crystalline ultralong tin sulfide (SnS) nanowires has been grown by a thermal evaporation technique under optimized conditions on gold-coated silicon substrates, and for the first time, field emission investigations on the SnS nanowires at the base pressure of 1 X 10(-8) mbar are reported. It has been revealed that the surface morphology of the as-synthesized SnS nanostructures is significantly influenced by the deposition temperature and duration. Structural and morphological analyses of as-synthesized SnS nanostructures have been carried out using X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). To understand the optical and electronic properties of as-synthesized SnS nanowires, ultraviolet-visible (UV-vis), photo-luminescence (PL), and X-ray photoelectron spectroscopy (XPS) studies were carried out. The SEM and TEM measurements reveal the formation of ultralong SnS nanowires, with an average diameter of 80 nm. A plausible explanation on the vapor-solid-liquid (VLS) growth mechanism based on the experimental results and reported literature has been presented. Furthermore, the field emission characteristics of the SnS nanowires are found to be superior to the other metal chalcogenide nanostructures. The synthesized SnS nanowire emitter delivers a high current density of similar to 2.5 mA/cm(2) at an applied electric field of similar to 4.55 V/mu m. The emission current stability over a period of 6 h is observed to be good. The observed results demonstrate the potential of the SnS nanowire emitter as an electron source for practical applications in vacuum nano/microelectronic devices.

}, keywords = {Electron emission, ID nanostructure, SnS nanowires, thermal evaporation, vapor-liquid-solid (VLS) growth}, issn = {1944-8244}, doi = {10.1021/am405039j}, author = {Suryawanshi, Sachin R. and Warule, Sambhaji S. and Patil, Sandip S. and Patil, Kashinath R. and More, Mahendra A.} } @article { ISI:000336738400017, title = {Variation of CO2 adsorption in isostructural Cd(II)/Co(II) based MOFs by anion modulation}, journal = {CrystEngComm}, volume = {16}, number = {23}, year = {2014}, month = {JUN}, pages = {5012-5020}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

{A potential multidentate tris-pyridyl ligand has been synthesized, and later employed for the tailoring of four isostructural cadmium(II)/cobalt(II) two dimensional (2D) metal organic frameworks, [[ M(dmpt)(2)(X)(2)].xS](n), where S = solvent

}, issn = {1466-8033}, doi = {10.1039/c4ce00058g}, author = {Singh, Udai P. and Narang, Shikha and Pachfule, Pradip and Banerjee, Rahul} } @article { ISI:000344906500001, title = {Way toward {\textquoteleft}{\textquoteleft}dietary pesticides{\textquoteright}{\textquoteright}: molecular investigation of insecticidal action of caffeic acid against helicoverpa armigera}, journal = {Journal of Agricultural and Food Chemistry}, volume = {62}, number = {45}, year = {2014}, month = {NOV}, pages = {10847-10854}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Bioprospecting of natural molecules is essential to overcome serious environmental issues and pesticide resistance in insects. Here we are reporting insights into insecticidal activity of a plant natural phenol. In silico and in vitro screening of multiple molecules supported by in vivo validations suggested that caffeic acid (CA) is a potent inhibitor of Helicoverpa armigera gut proteases. Protease activity and gene expression were altered in CA-fed larvae. The structure-activity relationship of CA highlighted that all the functional groups are crucial for inhibition of protease activity. Biophysical studies and molecular dynamic simulations revealed that sequential binding of multiple CA molecules induces conformational changes in the protease(s) and thus lead to a significant decline in their activity. CA treatment significantly inhibits the insect{\textquoteright}s detoxification enzymes, thus intensifying the insecticidal effect. Our findings suggest that CA can be implicated as a potent insecticidal molecule and explored for the development of effective dietary pesticides.

}, keywords = {Caffeic acid, Helicoverpa armigera, insecticidal activity, protease inhibitor}, issn = {0021-8561}, doi = {10.1021/jf503437r}, author = {Joshi, Rakesh S. and Wagh, T. P. and Sharma, N. and Mulani, Fayaj A. and Sonavane, U. and Thulasiram, H. V. and Joshi, Rakesh S. and Gupta, Vidya S. and Giri, Ashok P.} } @article {46403, title = {ZnO(N)-Spiro-MeOTAD hybrid photodiode: an efficient self-powered fast-response UV (visible) photosensor}, journal = {Nanoscale}, volume = {6}, year = {2014}, month = {FEB}, pages = {503-513}, type = {Article}, abstract = {

Organic-inorganic hybrid photo-detectors with a self-sufficient mode of operation represent a research area of great current interest. In most efficient photodetectors and optoelectronic devices compound semiconductors containing toxic elements such as Cd, As, Te, S, Se etc. are used and these are also expensive. Hence there is also a rapidly growing interest in replacing these with environmentally friendly and earth-abundant materials. Herein, we report a facile solution-processed fabrication of a self-powered organic-inorganic hybrid photodetector using n-type oriented ZnO nanorods and p-type Spiro-MeOTAD semiconductor. ZnO is eco-friendly and earth-abundant, and Spiro-MeOTAD is nonhazardous. We show that the latter has far less toxicity than the toxic elements stated above. This visible blind UV photodetector shows high sensitivity (10(2)) and a UV/visible rejection ratio of 300. It also exhibits fast response times of tau(rise) similar to 200 mu s and tau(fall) similar to 950 mu s. Importantly, with a small modification of nitrogen incorporation in ZnO one can also realize a highly-sensitive self-powered visible light photodetector with at least 1000\% (or higher) improvements in quality factors (photocurrent/sensitivity/response time) as compared to previously reported organic-inorganic hybrid photo-detectors based on metal-chalcogenides (CdS-PANI or CuInSe2-P3HT). Interestingly, the broadband sensitivity of such N:ZnO-Spiro-MeOTAD photodiode enables sensing of low intensity (similar to 28 mu W cm(-2)) ambient white light with a high photocurrent density of 120 nA cm(-2) making it an efficient ambient white light detector.

}, issn = {2040-3364}, doi = {10.1039/c3nr04727j}, author = {Game, Onkar and Singh, Upendra and Kumari, Tanya and Banpurkar, Arun and Ogale, Satishchandra} } @article { ISI:000355985500014, title = {1,2,3-Triazole derivatives as antitubercular agents: synthesis, biological evaluation and molecular docking study}, journal = {MedChemComm}, volume = {6}, number = {6}, year = {2015}, month = {MAY}, pages = {1104-1116}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Searching for new active molecules against Mycobacterium tuberculosis (MTB) H37Ra, a small focused library of 1,2,3-triazoles has been efficiently prepared via a click chemistry approach. The newly synthesized compounds were tested against drug-sensitive MTB. Several derivatives were found to be promising inhibitors of MTB characterized by lower MIC values (5.8-29.9 mu g mL(-1)). Among all the synthesized 31 compounds, 15e was the most active compound against MTB. Based on the results from the antitubercular activity, SAR for the synthesized series has been developed. The active compounds from the anti-tubercular study were further tested for anti-proliferative activity against THP-1, A549 and PANC-1 cell lines using MTT assay and showed no significant cytotoxic activity against these three cell lines except THP-1 at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antioxidant activities with an IC50 range of 10.1-37.3 mu g mL(-1). The molecular docking study of the synthesized compounds was performed against the DprE1 enzyme of MTB to understand the binding interactions. Moreover, the synthesized compounds were also analysed for ADME properties and all the experimental results promote us to consider this series as a starting point for the development of novel and more potent anti-tubercular agents in the future.

}, issn = {2040-2503}, doi = {10.1039/c5md00057b}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Nawale, Laxman and Sarkar, Dhiman and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Shingate, Bapurao B.} } @article { ISI:000355001000007, title = {3D Hetero-architecture of GdB6 nanoparticles on lessened cubic Cu2O nanowires: enhanced field emission behaviour}, journal = {CrystEngComm}, volume = {17}, number = {21}, year = {2015}, month = {MAR}, pages = {3936-3944}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The field emission properties (FE) of a heteroarchitecture comprised of gadolinium hexaboride nanoparticles uniformly decorated over Cu2O nanoneedles (GdB6/Cu2O) have been investigated at the base pressure of similar to 1 x 10(-8) mbar. Under the optimized pulsed laser deposition (PLD), a well-adhered coating of GdB6 nanoparticles on chemically synthesized cuprous oxide (Cu2O) nanoneedles has been obtained. A plausible growth mechanism of the hierarchical assembly of GdB6 nanoparticles on the Cu2O nanoneedles is explained on the basis of structural analysis carried out using SEM and TEM. A low turn-on field of similar to 2.3 V mu m(-1) (to draw an emission current density similar to 1 mu A cm(-2)) is observed along with stable emission current at the preset value of similar to 2 mu A over 4 h. The enhanced emission behaviour of the GdB6/Cu2O heteroarchitecture, in contrast to the pristine Cu2O nanoneedles, is attributed to its high aspect ratio and low work function. The observed FE results demonstrate GdB6/Cu2O heteroarchitecture as a potential candidate for application in various vacuum nano/microelectronic devices.

}, issn = {1466-8033}, doi = {10.1039/c4ce02530j}, author = {Suryawanshi, Sachin R. and Singh, Anil K. and Deo, Meenal S. and Late, Dattatray J. and Sinha, Sucharita and More, Mahendra A.} } @article { ISI:000353177000029, title = {3D polyaniline porous layer anchored pillared graphene sheets: enhanced interface joined with high conductivity for better charge storage applications}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {14}, year = {2015}, month = {APR}, pages = {7661-7669}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here, we report synthesis of a 3-dimensional (3D) porous polyaniline (PANI) anchored on pillared graphene (G-PANI-PA) as an efficient charge storage material for supercapacitor applications. Benzoic acid (BA) anchored graphene, having spatially separated graphene layers (G-Bz-COOH), was used as a structure controlling support whereas 3D PANI growth has been achieved by a simple chemical oxidation of aniline in the presence of phytic acid (PA). The BA groups on G-Bz-COOH play a critical role in preventing the restacking of graphene to achieve a high surface area of 472 m(2)/g compared to reduced graphene oxide (RGO, 290 m(2)/g). The carboxylic acid (-COOH) group controls the rate of polymerization to achieve a compact polymer structure with micropores whereas the chelating nature of PA plays a crucial role to achieve the 3D growth pattern of PANI. This type of controlled interplay helps G-PANI-PA to achieve a high conductivity of 3.74 S/cm all the while maintaining a high surface area of 330 m(2)/g compared to PANI-PA (0.4 S/cm and 60 m(2)/g). G-PANI-PA thus conceives the characteristics required for facile charge mobility during fast charge-discharge cycles, which results in a high specific capacitance of 652 F/g for the composite. Owing to the high surface area along with high conductivity, G-PANI-PA displays a stable specific capacitance of 547 F/g even with a high mass loading of 3 mg/cm(2), an enhanced areal capacitance of 1.52 F/cm(2), and a volumetric capacitance of 122 F/cm(3). The reduced charge-transfer resistance (RCT) of 0.67 O displayed by G-PANI-PA compared to pure PANI (0.79 O) stands out as valid evidence of the improved charge mobility achieved by the system by growing the 3D PANI layer along the spatially separated layers of the graphene sheets. The low RCT helps the system to display capacitance retention as high as 65\% even under a high current dragging condition of 10 A/g. High charge/discharge rates and good cycling stability are the other highlights of the supercapacitor system derived from this composite material.

}, keywords = {durability, ionic accessibility, phytic acid, pillaring, polyaniline, restacking}, issn = {1944-8244}, doi = {10.1021/acsami.5b00504}, author = {Sekar, Pandiaraj and Anothumakkool, Bihag and Kurungot, Sreekumar} } @article { ISI:000357587500004, title = {Abiotic stress induces change in cinnamoyl CoA reductase (CCR) protein abundance and lignin deposition in developing seedlings of Leucaena leucocephala}, journal = {Physiology and Molecular Biology of Plants}, volume = {21}, number = {2}, year = {2015}, month = {APR}, pages = {197-205}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Aboitic stress such as drought and salinity are class of major threats, which plants undergo through their lifetime. Lignin deposition is one of the responses to such abiotic stresses. The gene encoding Cinnamoyl CoA Reductase (CCR) is a key gene for lignin biosynthesis, which has been shown to be over-expressed under stress conditions. In the present study, developing seedlings of Leucaena leucocephala (Vernacular name: Subabul, White popinac) were treated with 1 \% mannitol and 200 mM NaCl to mimic drought and salinity stress conditions, respectively. Enzyme linked immunosorbant assay (ELISA) based expression pattern of CCR protein was monitored coupled with Phlorogucinol/HCl activity staining of lignin in transverse sections of developing L. leucocephala seedlings under stress. Our result suggests a differential lignification pattern in developing root and stem under stress conditions. Increase in lignification was observed in mannitol treated stems and corresponding CCR protein accumulation was also higher than control and salt stress treated samples. On the contrary CCR protein was lower in NaCl treated stems and corresponding lignin deposition was also low. Developing root tissue showed a high level of CCR content and lignin deposition than stem samples under all conditions tested. Overall result suggested that lignin accumulation was not affected much in case of developing root however developing stems were significantly affected under drought and salinity stress condition.

}, issn = {0971-5894}, doi = {10.1007/s12298-015-0289-z}, author = {Srivastava, Sameer and Vishwakarma, Rishi K. and Arafat, Yasir Ali and Gupta, Sushim K. and Khan, Bashir Mohammad} } @article { ISI:000348357400007, title = {Acid stability of the kinetically stable alkaline serine protease possessing polyproline II fold}, journal = {Protein Journal}, volume = {34}, number = {1}, year = {2015}, month = {FEB}, pages = {60-67}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The kinetically stable alkaline serine protease from Nocardiopsis sp.; NprotI, possessing polyproline II fold (PPII) was characterized for its pH stability using proteolytic assay, fluorescence and Circular Dichroism (CD) spectroscopy, and Differential Scanning Calorimetry (DSC). NprotI was found to be functionally stable when incubated at pH 1.0, even after 24 h, while after incubation at pH 10.0, drastic loss in the activity was observed. The enzyme showed enhanced activity after incubation at pH 1.0 and 3.0, at higher temperature (50-60 A degrees C). NprotI maintained the overall PPII fold in broad pH range as seen using far UV CD spectroscopy. The PPII fold of NprotI incubated at pH 1.0 remained fairly intact up to 70 A degrees C. Based on the isodichroic point and T-m values revealed by secondary structural transitions, different modes of thermal denaturation at pH 1.0, 5.0 and 10.0 were observed. DSC studies of NprotI incubated at acidic pH (pH 1.0-5.0) showed T-m values in the range of 74-76 A degrees C while significant decrease in T-m (63.8 A degrees C) was observed at pH 10.0. NprotI could be chemically denatured at pH 5.0 (stability pH) only with guanidine thiocynate. NprotI can be classified as type III protein among the three acid denatured states. Acid tolerant and thermostable NprotI can serve as a potential candidate for biotechnological applications.

}, keywords = {Acid stability, DSC, Kinetic stability, Polyproline fold, Protease, Thermal unfolding}, issn = {1572-3887}, doi = {10.1007/s10930-014-9597-3}, author = {Rohamare, Sonali and Javdekar, Vaishali and Dalal, Sayli A. and Nareddy, Pavan Kumar and Swamy, Musti J. and Gaikwad, Sushama M.} } @article { ISI:000352488300022, title = {Activity enhancement upon the incorporation of titanium: au@ti-sio2 core-shell nanocatalysts for the CO oxidation reaction}, journal = {ChemCatChem}, volume = {7}, number = {7}, year = {2015}, month = {APR}, pages = {1222-1230}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The encapsulation of gold nanoparticles 8-12nm in size within a porous Ti-SiO2 shell to form a core-shell nanoarchitecture was investigated, and the catalytic activity of the resulting structure was probed. Detailed characterization of the synthesized materials shows that the core-shell morphology is lost beyond a certain amount of incorporated titanium, and results in normal gold-supported Ti-SiO2. The material has a high surface area (913m(2)g(-1)) and high porosity, both of which make it an excellent choice for catalytic applications. With the optimum amount of incorporated Ti, the core-shell catalyst shows excellent room-temperature CO oxidation activity over several cycles with retention of its morphology at higher temperatures.

}, keywords = {core-shell structures, gold nanoparticles, Oxidation, Ti-SiO2}, issn = {1867-3880}, doi = {10.1002/cctc.201402954}, author = {Sekhar, Anandakumari C. Sunil and Kottavarithottil Ziyad and Soni, Yogita and Vinod, Chathakudath P.} } @article {42933, title = {Advances in molecular quantum chemistry contained in the Q-Chem 4 program package}, journal = {Molecular Physics}, volume = {113}, year = {2015}, month = {JAN}, pages = {184-215}, abstract = {

A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem quantum chemistry program is provided, covering approximately the last seven years. These include developments in density functional theory methods and algorithms, nuclear magnetic resonance (NMR) property evaluation, coupled cluster and perturbation theories, methods for electronically excited and open-shell species, tools for treating extended environments, algorithms for walking on potential surfaces, analysis tools, energy and electron transfer modelling, parallel computing capabilities, and graphical user interfaces. In addition, a selection of example case studies that illustrate these capabilities is given. These include extensive benchmarks of the comparative accuracy of modern density functionals for bonded and non-bonded interactions, tests of attenuated second order Moller-Plesset (MP2) methods for intermolecular interactions, a variety of parallel performance benchmarks, and tests of the accuracy of implicit solvation models. Some specific chemical examples include calculations on the strongly correlated Cr-2 dimer, exploring zeolite-catalysed ethane dehydrogenation, energy decomposition analysis of a charged ter-molecular complex arising from glycerol photoionisation, and natural transition orbitals for a Frenkel exciton state in a nine-unit model of a self-assembling nanotube.

}, author = {Shao, Yihan and Gan, Zhengting and Epifanovsky, Evgeny and Gilbert, Andrew T. B. and Wormit, Michael and Kussmann, Joerg and Lange, Adrian W. and Behn, Andrew and Deng, Jia and Feng, Xintian and Ghosh, Debashree} } @article {42558, title = {Analysis of genetic variability in Aquilaria malaccensis from Bramhaputra valley, Assam, India using ISSR markers}, journal = {Flora}, volume = {217}, year = {2015}, month = {NOV}, pages = {24-32}, doi = {10.1016/j.flora.2015.09.007}, author = {Banu, Sofia and Baruah, Darshana and Bhagwat, Rasika M. and Sarkar, Purabi and Bhowmick, Ananya and Kadoo, Narendra Y.} } @article {43075, title = {Analytical and bioanalytical UHPLC-MS method validation for determination of metformin, a bigunaide and sitagliptin, a DPP-4 inhibitor}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {6}, year = {2015}, month = {MAY}, pages = {1000-1008}, doi = {10.13040/IJPSR.0975-8232.6(5).1907-14}, author = {Nakrani, Mital and Bairagee, Deepika and Goyal, Pradeep and Santhakumari, B.} } @article {42978, title = {Analyzing different acetyl co-a metabolizing enzymes as potential drug targets against mycobacterium tuberculosis}, journal = {British Microbiology Research Journal}, volume = {10}, year = {2015}, month = {SEP}, pages = {1-15}, abstract = {

Mycobacterium tuberculosis, the causative agent of tuberculosis, is responsible for the deaths of million people around the globe. The scenario is worse than ever due to the emergence of drug resistant strains which are widely spread throughout the globe in much faster ways. To control this worst situation, we need to speed up the search for novel drugs which can specifically kill drug resistant bacteria in collaborative ways amongst academic, clinician and industry. Among different metabolic pathways, fatty acid synthesis pathway has always been a very attractive area for the drug target because of its crucial role during the infection and further in long term survival of pathogen inside the human host. In this review article, we analyzed the role of important and crucial enzymes, which are responsible for the influx and efflux of acetyl co-A substrate, a central hub of metabolites, as potential drug targets against M. tuberculosis.

}, doi = {10.9734/BMRJ/2015/19032}, author = {Akhtar, Shamim and Singh, Sheetal and Kumar, Santosh and Sarkar, Dhiman} } @article { ISI:000359537000086, title = {Antibiofilm activity of tert-BuOH functionalized ionic liquids with methylsulfonate counteranions}, journal = {RSC Advances}, volume = {5}, number = {83}, year = {2015}, month = {AUG}, pages = {68136-68142}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of varying alkyl chain length substituted tert-BuOH-functionalized-imidazolium mesylate salts [alkyl-(t)OHim][OMs] were synthesized and evaluated for antimicrobial activity and antibiofilm potential on selected pathogenic microorganisms including bacteria (Gram positive and Gram negative), yeast, and fungi. The dodecyl substituted ionic liquid [C-12-(t)OHim][OMs] significantly prevented the biofilm formation of S. epidermidis at 100 mu M concentration as well as showed noteworthy antimicrobial activity. We conclude that the ionic liquids (ILs) bearing chain lengths lower than the dodecyl length were found to be less effective against most of the tested pathogenic microorganisms.

}, issn = {2046-2069}, doi = {10.1039/c5ra12854d}, author = {Navale, Govinda R. and Dharne, Mahesh S. and Shinde, Sandip S.} } @article { ISI:000359850300008, title = {Antimicrobial activity of plant extracts against sexually transmitted pathogens}, journal = {Natural Product Research}, volume = {29}, number = {16}, year = {2015}, month = {AUG}, pages = {1562-1566}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Comprehensive management of sexually transmitted infections (STIs) using vaginal or rectal microbicide-based intervention is one of the strategies for prevention of HIV infection. Herbal products have been used for treating STIs traditionally. Herein, we present in vitro activity of 10 plant extracts and their 34 fractions against three sexually transmitted/reproductive tract pathogens - Neisseria gonorrhoeae, Haemophilus ducreyi and Candida albicans. The plant parts were selected; the extracts/fractions were prepared and screened by disc diffusion method. The minimum inhibitory and minimum cidal concentrations were determined. The qualitative phytochemical analysis of selected extracts/fractions showing activity was performed. Of the extracts/fractions tested, three inhibited C. albicans, ten inhibited N. gonorrhoeae and five inhibited H. ducreyi growth. Our study demonstrated that Terminalia paniculata Roth. extracts/fractions inhibited growth of all three organisms. The ethyl acetate fraction of Syzygium cumini Linn. and Bridelia retusa (L.) Spreng. extracts was found to inhibit N. gonorrhoeae at lowest concentrations.

}, keywords = {anti-STI activity, Candida albicans, fractions, Haemophilus ducreyi, microbicide, Neisseria gonorrhoeae, plant extracts}, issn = {1478-6419}, doi = {10.1080/14786419.2014.983919}, author = {Jadhav, Nutan and Kulkarni, Sangeeta and Mane, Arati and Kulkarni, Roshan and Palshetker, Aparna and Singh, Kamalinder and Joshi, Swati P. and Risbud, Arun and Kulkarni, Smita} } @article {42987, title = {Antimycobacterium activity of coumarins from fruit pulp of aegle marmelos (L.) correa}, journal = {International Journal of Basic and Applied Chemical Sciences}, volume = {5}, year = {2015}, month = {JUL}, pages = {39-44}, abstract = {

Phytochemical investigation of n-butanol fraction of acetone extract of Aegle marmelos fruit has afforded four compounds coumarins marmelosin (1), marmin (2) and xanthotoxol (3) and flavonoid kaempferol 3- O-rhamnoside, afzelin (4). All the isolated compounds were evaluated for their antimycobacterium activity against Mycobacterium tuberculosis H37Ra and Mycobacterium bovis. Compounds 1 and 2 exhibited antimycobacterium activity against M. tuberculosis H37Ra with an IC50 12.46 {\textmu}g/mL and 4.31 {\textmu}g/mL respectively whereas, at 100 {\textmu}g/mL, 62.5\% and 82.4\% growth inhibition of M. bovis was observed respectively. Compounds 1 and 2 were also evaluated against two gram positive bacteria Staphylococcus aureus, Bacillus subtilis and one gram negative bacteria Escherichia coli. Compound 1 at 100 {\textmu}g/mL, showed growth inhibition, 64.6\% and 74.9\% of E. coli and B. subtilis respectively.

}, author = {Chinchansure, Ashish A. and Shamnani, Neelam and Arkile, Manisha A. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000362291300048, title = {Architecturally designed Pt-MoS2 and Pt-graphene composites for electrocatalytic methanol oxidation}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {39}, year = {2015}, month = {SEP}, pages = {26101-26110}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Thin films consisting of platinum nanoparticles (Pt NPs) with uniform size and distribution have been successfully prepared at a liquid-liquid interface. Apart from the usual substrates like glass, Si etc. the films were also deposited on the surfaces of MoS2 thin films and graphene nanosheets (GNS) respectively, by using a layer-by-layer (LbL) deposition technique to form Pt-MoS2 and Pt-GNS composites. The loading concentration of Pt NPs on MoS2 and GNS can be adjusted by selecting the number and sequence of the component layers during LbL deposition. The Pt thin films, Pt-MoS2 and Pt-GNS nanocomposite thin films are characterized using transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), energy dispersive X-ray spectrometry (EDS), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). TEM results of the composites show that Pt NPs with sizes in the range of 1 to 3 nm are uniformly dispersed on the MoS2/GNS surface. The catalytic activities of Pt and Pt-composites for the reaction of methanol oxidation are studied using cyclic voltammetry and chronoamperometry. Electrochemical studies reveal that both the Pt-MoS2 and Pt-GNS nanocomposites show excellent electrocatalytic activity towards methanol oxidation. Pt-MoS2 and Pt-GNS nanocomposite electrodes show excellent stability for reuse of the catalyst. A probable mechanism of catalysis has been discussed. We propose that the similar architecture reported here would be promising for the synthesis of high performance catalysts for fuel cells, gas phase reactions, and other applications such as sensors.

}, issn = {1463-9076}, doi = {10.1039/c5cp04141d}, author = {Patit, Sagar H. and Anothumakkool, Bihag and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article { ISI:000363168200012, title = {Assessing the effect of different shapes of glyco-gold nanoparticles on bacterial adhesion and infections}, journal = {Chemical Communications}, volume = {51}, number = {86}, year = {2015}, month = {AUG}, pages = {15669-15672}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Achieving selective and sensitive carbohydrate-protein interactions (CPIs) using nanotechnology is an intriguing area of research. Here we demonstrate that the different shapes of gold nanoparticles (AuNPs) functionalized with monosaccharides tune the bacterial aggregations. The mechanism of aggregation revealed that the large number of surface interactions of rod shaped mannose-AuNPs with E. coli ORN 178 compared with spherical and star-shaped AuNPs exhibited higher avidity and sensitivity. Moreover, such sensitive binding can be used for effective inhibition of bacterial infection of cells.

}, issn = {1359-7345}, doi = {10.1039/c5cc05238f}, author = {Chaudhary, Preeti Madhukar and Sangabathuni, Sivakoti and Murthy, Raghavendra Vasudeva and Paul, Ajay and Thulasiram, Hirekodathakallu V. and Kikkeri, Raghavendra} } @article {43029, title = {Association between serum albumin and glycated hemoglobin in Asian Indian subjects}, journal = {Indian Journal of Endocrinology and Metabolism}, volume = {19}, year = {2015}, month = {JAN}, abstract = {

Protein glycation plays a significant role in diabetic complications. Glycated hemoglobin (HbA1c) is a known predictor of diabetes and its complications. Albumin, found to be profoundly glycated in diabetes, and its level could regulate plasma protein as well as hemoglobin glycation. We aimed to evaluate the association between variations in albumin level with HbA1c in the Asian Indian population. We screened data of 929 subjects who have had a simultaneous measurement of fasting plasma glucose (FPG), HbA1c and albumin levels via the same blood collection. Data were analyzed by SPSS for 610 subjects who met the study criteria. There was a significant negative correlation between HbA1c and albumin concentration (r = -0.284; P \< 0.001). Univariate analysis showed the statistically significant decrease of average HbA1c but not for fasting plasma glucose (FPG) across increasing tertiles of albumin. Stepwise multiple regression model showed a significant correlation between HbA1c and serum albumin (P \< 0.05), FPG (P \< 0.001), hemoglobin (Hb) (P \< 0.001) and serum globulin (P \< 0.05). FPG was the strongest predictor (63.4\%) of variation of HbA1c. The albumin concentration (r = -0.114) accounted for 0.3\% (P \< 0.05) of the total variance in HbA1c independent of age, body mass index, FPG, Hb, creatinine, total protein and globulin. It was also observed that HbA1c decreases with increasing albumin concentration in those having FPG between 100 to \<126 mg/dl. Serum albumin negatively correlates with HbA1c in Asian Indians independent of other variables. This study suggests that predicting diabetes and its complication based on the HbA1c needs to be further investigated in Indian subjects.

}, doi = {10.4103/2230-8210.144631}, author = {Tiwari, Shalbha and Botahle, Manish and Hasan, Imtiaz and Kulkarni, Mahesh J. and Sayyad, Mehmood G. and Basu, Rita and Basu, Ananda and Unnikrishnan A. G.} } @article { ISI:000356845000004, title = {Asymmetric transfer hydrogenation of imines in water by varying the ratio of formic acid to triethylamine}, journal = {Organic Letters}, volume = {17}, number = {12}, year = {2015}, month = {JUN}, pages = {2878-2881}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Asymmetric transfer hydrogenation (ATH) of imines has been performed with variation in formic acid (F) and triethylamine (T) molar ratios in water. The F/T ratio is shown to affect both the reduction rate and enantioselectivity, with the optimum ratio being 1.1 in the ATH of imines with the Rh-(1S,2S)-TsDPEN catalyst. Use of methanol as a cosolvent enhanced reduction activity. A variety of imine substrates have been reduced, affording high yields (94-98\%) and good to excellent enantioselectivities (89-98\%). In comparison with the common azeotropic F-T system, the reduction with 1.1/1 F/T is faster.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00889}, author = {Shende, Vaishali S. and Deshpande, Sudhindra H. and Shingote, Savita K. and Joseph, Anu and Kelkar, Ashutosh A.} } @article { ISI:000360398900018, title = {Asymmetric vinylogous michael reaction of cyclic enones with silyloxy furans}, journal = {Chemical Communications}, volume = {51}, number = {73}, year = {2015}, month = {JUL}, pages = {13941-13944}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The asymmetric vinylogous Michael reaction of cyclohexenone/medium and large cyclic enones with 2-silyloxyfuran is still a synthetic challenge. In this report, we have explored 1,4-conjugate addition of an enantioselective chiral, primary diamine catalyzed, 2-silyloxy furan to various cyclic enones and beta-substituted cyclic enones. The reaction provided syn-Michael adducts (cycloalkane connected gamma-butenolide) with good yields, diastereo and enantioselectivities. Furthermore, the synthetic potential of these syn-Michael adducts is demonstrated by 1,4-addition of nucleophiles on the butenolide substructure.

}, issn = {1359-7345}, doi = {10.1039/c5cc05617a}, author = {Jadhav, Amol P. and Rao, V. U. Bhaskara and Singh, Pradeep and Gonnade, Rajesh G. and Singh, Ravi P.} } @article { ISI:000361075900005, title = {Bacillus encimensis sp nov isolated from marine sediment}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {5}, year = {2015}, month = {MAY}, pages = {1421-1425}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A Gram-stain-positive, rod-shaped, endospore-forming, aerobic bacterium designated SGD-V-25(T) was isolated from Veraval sediment sample, India. Strain SGD-V-25(T) was capable of growing at 25-50 degrees C (optimum 37 degrees C), pH 6-12 (optimum pH 7.0) and with 0-5 \% (w/v) NaCl. The taxonomic position of this strain was deduced using a polyphasic approach and the 16S rRNA gene sequence analysis showed that the isolate belongs to the phylum Firmicutes, forming the cluster with Bacillus badius MTCC 1548(T), with which it shares highest similarity of 99.1 \% with 13 nt differences. Other type strains of the genus Bacillus showed less than 96\% similarity. The cell wall contained meso-diaminopimelic acid as the diagnostic diamino acid. The polar lipid profile of strain SGD-V-25(T) showed the presence of diphosphatidylglycerol, phosphatidylglycerol, phsophoglycolipid and two aminophospholipids. The predominant isoprenoid quinone was MK-7. The major cellular fatty acids were iso-C-15:0, anteiso-C-15:0, anteiso-C-17:0 iso-C-16:0, C-16:1 omega 11c and C-16:0. The genomic DNA G + C content of strain SGD-V-25(T) was 37.6 molok. On the basis of phenotypic characteristics, phylogenetic analysis and DNA-DNA hybridization, strain SGD-V-25(T) could be clearly distinguished from closely related members of the genus Bacillus, and the name Bacillus encimensis sp. nov., is proposed to accommodate this strain. The type strain is SGD-V-25(T) (= NCIM 5513(T)=DSM 28241(T)).

}, issn = {1466-5026}, doi = {10.1099/ijs.0.000114}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Mual, Poonam and Verma, Ashish and Krishnamurthi, Srinivasan and Joseph, Neeta and Shouche, Yogesh S.} } @article { ISI:000348358000013, title = {Bacillus filamentosus sp nov., isolated from sediment sample}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {107}, number = {2}, year = {2015}, month = {FEB}, pages = {433-441}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A novel Gram-stain positive, endospore-forming bacterium, designated SGD-14(T), was isolated from a marine sediment sample in Goa Province, India. Cells of the isolate were found to be strictly aerobic. Phylogenetic analysis based on 16S rRNA gene sequences indicated that strain SGD-14(T) showed a similarity of 99.5 \% with Bacillus endophyticus and similarities to other Bacillus type strains were below 96 \%. The whole-cell sugar pattern was found to consist of ribose, xylose and glucose. The predominant menaquinone was identified as MK-7 and the major fatty acids as anteiso-C-15:0, iso-C-15:0, iso-C-16:0, anteiso-C-17:0, C-16:0 and iso-C-14:0. The strain was found to grow optimally at 30 A degrees C and pH 7.0-7.5. DNA G + C content was determined to be 39.6 mol\%. The phospholipid pattern was found to consist of diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine. DNA-DNA hybridization studies between strain SGD-14(T) and B. endophyticus CIP106778(T) showed that strain SGD-14(T) exhibited \< 70 \% similarity with B. endophyticus CIP106778(T). Differences in phenotypic and chemotaxonomic characteristics between the novel strain and B. endophyticus CIP106778(T) further confirmed that this isolate represents novel species. Phylogenetic analysis showed that strain SGD-14(T) fits in the same clade with B. endophyticus with 100 \% bootstrap values. Strain SGD-14(T) is therefore considered to represent a novel species of the genus Bacillus, for which the name Bacillus filamentosus sp. nov. is proposed. The type strain of Bacillus filamentosus is SGD-14(T) = (=NCIM 5491(T) = DSM 27955(T)).

}, keywords = {Bacillus, Filaments, Polyphasic, Sediment}, issn = {0003-6072}, doi = {10.1007/s10482-014-0341-y}, author = {Sonalkar, Vidya V. and Mawlankar, Rahul R. and Ramana, V. Venkata and Joseph, Neeta and Shouche, Yogesh S. and Dastager, Syed Gulam} } @article { ISI:000346060400006, title = {Beta self-association and adsorption on a hydrophobic nanosurface: competitive effects and the detection of small oligomers via electrical response}, journal = {Soft Matter}, volume = {11}, number = {2}, year = {2015}, month = {OCT}, pages = {269-279}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Treatment of Alzheimer{\textquoteright}s disease (AD) is impeded by the lack of effective early diagnostic methods. Small, soluble A beta globulomers play a major role in AD neurotoxicity, and detecting their presence in aqueous fluids could lead to suitable sensors. We evaluate the adsorption behavior of small A beta oligomers on the surface of a single walled carbon nanotube of high curvature. While the intrinsic self-assembly propensity of A beta is markedly hindered by adsorption, the oligomeric units show high degrees of surface immobilization. Immobilized complexes are capable of oligomeric growth, but with a shifted monomer-oligomer equilibrium compared to the free states. In the presence of an ionic solution and suitable external electric fields, magnitudes of the current blockades are found to be sensitive to the oligomeric number of the adsorbed complex. However, this sensitivity gradually diminishes with increasing oligomeric size. The results provide a proof-of-concept basis for further investigations in the design of sensors for detecting the toxic small oligomers of A beta.

}, issn = {1744-683X}, doi = {10.1039/c4sm01845a}, author = {Jana, Asis K. and Sengupta, Neelanjana} } @article { ISI:000345975000014, title = {Bifunctional covalent organic frameworks with two dimensional organocatalytic micropores}, journal = {Chemical Communications}, volume = {51}, number = {2}, year = {2015}, month = {NOV}, pages = {310-313}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report the successful incorporation of bifunctional (acid/base) catalytic sites in the crystalline organocatalytic porous COF (2,3-DhaTph). Due to the presence of acidic (catachol) and basic (porphyrin) sites, 2,3-DhaTph shows significant selectivity, reusability, and excellent ability to perform the cascade reaction.

}, issn = {1359-7345}, doi = {10.1039/c4cc07104b}, author = {Shinde, Digambar Balaji and Kandambeth, Sharath and Pachfule, Pradip and Kumar, Raya Rahul and Banerjee, Rahul} } @article { ISI:000351792800014, title = {Bioactive polymersomes self-assembled from amphiphilic.PPO-glycopolypeptides: synthesis, characterization, and dual-dye encapsulation}, journal = {Langmuir}, volume = {31}, number = {11}, year = {2015}, month = {APR}, pages = {3402-3412}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Glycopolypeptide-based polymersomes have promising applications as vehicles for targeted drug delivery because they are capable of encapsulating different pharmaceuticals of diverse polarity as well as interacting with specific cell surfaces due to their hollow structural morphology and bioactive surfaces. We have synthesized glycopolypeptide-b-poly(propylene oxide) by ROP of glyco-N-carboxyanhydride (NCA) using the hydrophobic amine-terminated poly(propylene oxide) (PPO) as the initiator. This block copolymer is composed of an FDA-approved PPO hydrophobic block in conjugation with hydrophilic glycopolypeptides which are expected to be biocompatible. We demonstrate the formation of glycopolypeptide-based polymersomes from the self-assembly of glycopolypeptide-b-poly(propylene oxide) in which the presence of an ordered helical glycopolypeptide segment is required for their self-assembly into spherical nanoscale (similar to 50 nm) polymersomes. The polymersomes were characterized in detail using a variety of techniques such as TEM, AFM, cryo-SEM, and light-scattering measurements. As a model for drugs, both hydrophobic (RBOE) and hydrophilic (calcein) dyes have been incorporated within the polymersomes from solution. To substantiate the simultaneous entrapment of the two dyes, spectrally resolved fluorescence microscopy was performed on the glycopeptide polymersomes cast on a glass substrate. We show that it is possible to visualize individual nanoscale polymersomes and effectively probe the dyes colocalization and energy-transfer behaviors therein as well as investigate the variation in dual-dye encapsulation over a large number of single polymersomes. Finally, we show that the galactose moieties present on the surface can specifically recognize lectin RCA(120), which reveals that the polymersomes surface is indeed biologically active.

}, issn = {0743-7463}, doi = {10.1021/la503993e}, author = {Das, Soumen and Sharma, Dharmendar Kumar and Chakrabarty, Suman and Chowdhury, Arindam and Sen Gupta, Sayam} } @article { ISI:000346189100055, title = {Biocatalyst development for lactic acid production at acidic pH using inter-generic protoplast fusion}, journal = {RSC Advances}, volume = {5}, number = {3}, year = {2015}, month = {DEC}, pages = {2024-2031}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Global warming and environmental problems force us to develop sustainable processes based on the use of biocatalysts that are eco-friendly with the least potential toxicity. Lactic acid fermentation at neutral pH generates a large amount of gypsum during down-stream processing. Hence it is essential to develop Lactobacillus strains which produce lactic acid at acidic pH thus making the whole downstream process environmentally friendly. Fusant F3 was generated using protoplast fusion between Lactobacillus delbrueckii Mut Uc-3 and Acetobacter pasteurianus NCIM 2314 on solid media at pH 4.0. Fusant F3 was further treated by UV irradiation to generate a mutant, FM1, with improvements in acid tolerance which produced five-fold more lactic acid than the parent strain at acidic pH. The molecular studies using RAPD markers demonstrated that the fusant is derived from both the parental strains, Acetobacter and Lactobacillus and the mutant is derived from the fusant. The utilization of such acid tolerant strains could be able to produce free lactic acid at acidic pH without using neutralizing agents and will offer an effective means for designing environmentally benign processes for lactic acid production.

}, issn = {2046-2069}, doi = {10.1039/c4ra11104d}, author = {Singhvi, Mamata and Gurjar, Gayatri and Gupta, Vidya and Gokhale, Digambar V.} } @article { ISI:000347577900102, title = {Biochemical characterization of recombinant mevalonate kinase from Bacopa monniera}, journal = {International Journal of Biological Macromolecules}, volume = {72}, year = {2015}, month = {JAN}, pages = {776-783}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Mevalonate kinase (MK; ATP: mevalonate 5-phosphotransferase; EC 2.7.1.36) plays a key role in isoprenoid biosynthetic pathway in plants. MK catalyzes the phosphorylation of mevalonate to form mevalonate-5-phosphate. The recombinant BmMK was cloned and over-expressed in E. coli BL21 (DE3), and purified to homogeneity by affinity chromatography followed by gel filtration. Optimum pH and temperature for forward reaction was found to be 7.0 and 30 degrees C, respectively. The enzyme was most stable at pH 8 at 25 degrees C with deactivation rate constant (Kd*) 1.398 x 10(-4) and half life (t(1/2)) 49 h. pH activity profile of BmMK indicates the involvement of carboxylate ion, histidine, lysine, arginine or aspartic acid at the active site of enzyme. Activity of recombinant BmMK was confirmed by phosphorylation of RS-mevalonate in the presence of Mg2+, having K-m and V-max 331.9 mu M and 719.1 pKat mu g(-1), respectively. The values of k(cat) and k(cat)/K-m for RS-mevalonate were determined to be 143.82 s(-1) and 0.43332 M-1 s(-1) and k(cat) and k(cat)/K-m values for ATP were found 150.9 s(-1) and 1.023 M-1 s(-1). The metal ion studies suggested that BmMK is a metal dependent enzyme and highly active in the presence of MgCl2. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Bacopa monniera, Enzyme kinetics, Mevalonate kinase, stability}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2014.09.030}, author = {Kumari, Uma and Vishwakarma, Rishi K. and Sonawane, Prashant and Shakeel Abbassi and Khan, Bashir Mohammad} } @article { ISI:000362920700039, title = {Bioinspired catecholic flame retardant nanocoating for flexible polyurethane foams}, journal = {Chemistry of Materials}, volume = {27}, number = {19}, year = {2015}, month = {OCT}, pages = {6784-6790}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient, environmentally friendly, and water-applied flame retardant surface nanocoating based on polydopamine (PDA) was developed for foamed materials such as polyurethane (PU). The PDA nanocoating, deposited by simple dip-coating in an aqueous dopamine solution, consists of a planar sublayer and a secondary granular layer structure that evolve together, eventually turning into a dense, uniform, and conformal layer on all foam surfaces. In contrast to flexible PU foams that are known to be highly flammable without flame retardant additives, micro combustion calorimetry (MCC) and thermogravimetric analysis (TGA) confirm that the neat PDA is relatively inflammable with a strong tendency to form carbonaceous, porous char that is highly advantageous for flame retardancy. By depositing nano coatings of PDA onto flexible PU foams, the flammability of the PU foam was significantly reduced with increasing coating thickness. For the thickest coating (3 days of PDA deposition), the foam quickly self-extinguished and its original shape was completely preserved after exposure to a flame in a torch burn test. In addition to the char forming ability of PDA, it is hypothesized that its catechol units likely scavenge nearby radicals that typically evolve additional fuel for the fire as they attack surrounding materials. This multiple flame retardancy action of PDA (i.e., char formation + radical scavenging) enables flame retardant foams with a peak heat release rate (P-HRR) that is significantly reduced (up to 67\%) relative to control foams, representing much better performance than many conventional additives reported in the literature at comparable or higher loadings.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.5b03013}, author = {Cho, Joon Hee and Vasagar, Vivek and Shanmuganathan, Kadhiravan and Jones, Amanda R. and Nazarenko, Sergei and Ellison, Christopher J.} } @article { ISI:000355242800010, title = {Biomass exploitation - a challenge finding its way to reality}, journal = {Current Science}, volume = {108}, number = {9}, year = {2015}, month = {MAY}, pages = {1593-1594}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Lignocellulosic biomass holds the key to supplying the basic needs of society for sustainable production of chemicals and fuels without impacting the human food supply. The production of second-generation biofuels and chemicals from lignocellulosic biomass has not yet been commercialized due to its complex and recalcitrance structure. Therefore, the challenges involved in the production of lignocellulosic biomass-derived fuels and chemicals must be addressed. Search for economic pretreatment methods has been recognized as one of the main hurdles for processing of biomass to biofuels and chemicals. The conversion of all biomass components, lignin in particular, would greatly contribute to the economic viability of biomass-based processes for second-generation biofuels and chemicals. Hydrolysis of lignocellulose carbohydrates into fermentable sugars requires a suitable cellulase enzyme cocktail acting on both raw as well as pretreated biomass. Depending on raw material and pretreatment technology, the enzyme mixtures must be designed to degrade biomass carbohydrates. Recent publications on GVL-pretreatment to solubilize and degrade carbohydrates in biomass and CelA enzyme acting on raw biomass would probably meet the challenges in biomass conversion technologies.

}, issn = {0011-3891}, author = {Singhvi, Mamata S. and Gokhale, Digambar V.} } @article { ISI:000346189100034, title = {Biomilling of rod-shaped ZnO nanoparticles: a potential role of saccharomyces cerevisiae extracellular proteins}, journal = {RSC Advances}, volume = {5}, number = {3}, year = {2015}, month = {NOV}, pages = {1883-1889}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

There is a tremendous interest in newly-discovered, green, room-temperature, biological routes for the fabrication of biologically-benign functional nanostructures. The bottom-up biogenic synthesis, where the precursor molecules form crystalline solids at the nanoscale by a redox process, has been validated over the years and gained its popularity. However, a new top-down technique has recently been developed by our group, in which small isotropic nanoparticles (NPs) are formed by the break-down of chemically-synthesized anisotropic rod or plate-shaped NPs using microbes (termed as biomilling). This technique, which holds great promise, is still in its infancy. Here, an improved process with an easy isolation of NPs from the biomass and better control of the technique is reported. This novel technique is demonstrated to break-down the chemically synthesized ZnO nanorods (NRs), similar to 250 nm in length, to small quasi-spherical ZnO NPs (similar to 10 nm in diameter) possibly due to the proteins secreted by the yeast (Saccharomyces cerevisiae), which also led to the formation of {\textquoteleft}{\textquoteleft} corona{\textquoteright}{\textquoteright} around the NPs. The UV-vis, PL and FTIR results show the dynamic nature of the protein corona, which is further supported by the SDS-PAGE study of the extracellular proteins. The SDS-PAGE study of the intracellular proteins shows the over-expression of a single protein which is supposed to have a role in zinc transport in the cells. The ICP-OES results show the accumulation of a higher amount of zinc in the yeast cells as biomilling progresses, while the extracellular zinc contents were almost same. Therefore, we believe that the yeast cells play an important role in the biomilling process by secreting the proteins and maintaining the zinc content in the extracellular fluid. The biomilled NPs exhibit a uniform dispersity and better aqueous stability than chemically synthesized ZnO NRs.

}, issn = {2046-2069}, doi = {10.1039/c4ra10077h}, author = {Sharan, Chandrashekhar and Khandelwal, Puneet and Poddar, Pankaj} } @article { ISI:000350841100024, title = {Biophysical characterization and molecular docking studies of imidazolium based polyelectrolytes-DNA complexes: role of hydrophobicity}, journal = {Biomacromolecules}, volume = {16}, number = {3}, year = {2015}, month = {MAR}, pages = {894-903}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nonviral gene delivery vectors are acquiring greater attention in the field of gene therapy by replacing the biological viral vectors. DNA-cationic polymer complexes are one of the most promising systems to find application in gene therapy. Hence, a complete insight of their biophysical characterization and binding energy profile is important in understanding the mechanism involved in nonviral gene therapy. In this investigation, the interaction between calf thymus DNA (ctDNA) and imidazolium-based poly(ionic liquids) (PILs) also known as polyelectrolytes with three different alkyl side chains (ethyl, butyl, and hexyl) in physiological conditions using various spectroscopic experiments with constant DNA concentration and varying polyelectrolyte concentrations is reported. UV-visible absorption, fluorescence quenching studies, gel electrophoresis, circular dichroism (CD), and Fourier transform infrared spectroscopy (FTIR) have confirmed the binding of polyelectrolytes with DNA. UV-vis absorption measurements and fluorescence quenching revealed that the binding between DNA and the polyelectrolyte is dominated by electrostatic interactions. Additionally, CD and FTIR results indicated that the DNA retained its B-form with minor perturbation in the phosphate backbone without significant change in the conformation of its base pairs. Preference for alkyl side chains (KPIL-Ethyl Br \< KPIL-Butyl Br \< KPIL-Hexyl Br) toward efficient binding between the polyelectrolyte and DNA was inferred from the binding and quenching constants calculated from the absorption and emission spectra, respectively. Further, in silico molecular docking studies not only validated the observed binding trend but also provided insight into the binding mode of the polyelectrolyte-DNA complex.

}, issn = {1525-7797}, doi = {10.1021/bm5018029}, author = {Manojkumar, Kasina and Charan, K. T. Prabhu and Sivaramakrishna, Akella and Jha, Prakash C. and Khedkar, Vijay M. and Siva, Ramamoorthy and Jayaraman, Gurunathan and Vijayakrishna, Kari} } @article { ISI:000348102900047, title = {Biophysicochemical characterization of an alkaline protease from beauveria sp. MTCC 5184 with multiple applications}, journal = {Applied Biochemistry and Biotechnology}, volume = {175}, number = {1}, year = {2015}, month = {JAN}, pages = {589-602}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

This study illustrates the biophysicochemical properties of an alkaline protease, BAP (Beauveria sp. alkaline protease) from Beauveria sp. MTCC 5184. This protease exhibited maximum activity at 50 degrees C, pH 9.0, and stability in a broad pH range, in the presence of organic solvents, denaturants, as well as detergents. Wash performance studies revealed that BAP was able to remove blood clots/stains from blood-soaked cloth. Peptide mass fingerprinting results demonstrated partial homology of BAP with subtilisin-like proteinase. BAP showed catalytic activity against natural as well as synthetic substrates. Active site characterization of BAP confirmed the involvement of serine, tryptophan, and aspartic acid in catalytic activity. Detailed kinetic and thermodynamic studies of BAP demonstrated that the activation energy (Ea) for casein hydrolysis was 82.55 kJ/M, the specificity constant (Kcat/K-m), and the values of Delta G (change in Gibbs free energy) decreased with increase in temperature, whereas Delta H (change in enthalapy) and Delta S (change in entropy) were constant. The results of the present study indicate that BAP has potential for applications as detergent additive, in peptide synthesis, and in basic research.

}, keywords = {Active site, Alkaline Protease, Beauveria sp, Organic solvent, Substrate kinetics}, issn = {0273-2289}, doi = {10.1007/s12010-014-1314-3}, author = {Shankar, Shiv and Laxman, Ryali Seeta} } @proceedings {42927, title = {Black phosphorous nanosheets: prospective field emitter}, year = {2015}, month = {JUL}, pages = {94-95}, publisher = {IEEE, 345 E 47th St, New York, NY 10017 USA}, address = {Guangzhou, Peoples R China}, abstract = {

We report for the first time field electron emission investigations on few layered black phosphorous nanosheets emitter{\textquoteright}s synthesized using chemical method with thickness similar to 2-5 nm. The turn-on electric field required to draw an emission current density of similar to 10 mu A/cm(2) was found to be similar to 4.2 V/mu m. Furthermore, a few layer black phosphorous nanosheets emitter deliver an large emission current density of similar to 170 mu A/cm(2) at an applied field of similar to 7.5 V/mu m. The emission current versus time plot measured at the preset current values of similar to 5 mu A shows field emission current fluctuations within +/- 10\% of the average value indicating the well stable nature of black phosphorous field emitter. Thus, the two dimensional black phosphorous nanosheets synthesized using simple electrochemical exfoliation method can be realized and utilized for the next generation micro/nanoelectronics and flat panel field emission based display applications.

}, author = {Late, Dattatray J. and Erande, Manisha B. and Suryawanshi, Sachin R. and More, Mahendra A.} } @article { ISI:000367464000006, title = {c Squalene synthase gene from medicinal herb bacopa monniera: molecular characterization, differential expression, comparative modeling, and docking studies}, journal = {Plant Molecular Biology Reporter}, volume = {33}, number = {6}, year = {2015}, month = {DEC}, pages = {1675-1685}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The widespread pharmaceutically important triterpenoid saponins are synthesized via isoprenoid pathway. The formation of squalene is the key regulatory point in triterpene biosynthesis, catalyzed by squalene synthase (SQS). The present study deals with the detailed characterization of SQS by molecular, biochemical, and computational means from Bacopa monniera, an immensely important medicinal plant rich in triterpenoid saponin, bacosides. A full-length SQS gene was isolated from B. monniera, characterized as B. monniera squalene synthase (BmSQS) (1242 bp) encoding 414 amino acids. Deduced amino acid sequence of BmSQS showed highly conserved consensus aspartate-rich motifs (DXXXD) and catalytic site residues. Phylogenetic analysis showed that BmSQS belongs to dicot group having closest relationship with Salvia miltiorrhiza. Semiquantitative and real-time PCR studies showed that the BmSQS messenger RNA (mRNA) expression level was higher in vegetative parts (roots) as compared to floral parts. Methyl jasmonate induces the BmSQS mRNA expression in all tissues tested, while salicylic acid, cold, and salt induce much higher expression in roots. Homology modeling and docking simulations of BmSQS showed the pivotal roles of Asp77, Asp81, Asp213, Asp217, and Tyr168 in catalysis.

}, keywords = {Abiotic stress, Bacopa monniera, Comparative modeling and docking, Differential expression, Isoprenoid pathway, Squalene synthase}, issn = {0735-9640}, doi = {10.1007/s11105-015-0864-z}, author = {Vishwakarma, Rishi K. and Patel, Krunal and Sonawane, Prashant and Kumari, Uma and Singh, Somesh and Ruby and Shakeel Abbassi and Agrawal, Dinesh C. and Tsay, Hsin-Sheng and Khan, Bashir Mohammad} } @article { ISI:000360653900022, title = {Calculation of P,T-odd interaction constant of PbF using Z-vector method in the relativistic coupled-cluster framework}, journal = {Journal of Chemical Physics}, volume = {143}, number = {8}, year = {2015}, month = {AUG}, pages = {084119}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

The effective electric field experienced by the unpaired electron in the ground state of PbF, which is a potential candidate in the search of electron electric dipole moment due to some special characteristics, is calculated using Z-vector method in the coupled cluster single-and double-excitation approximation with four component Dirac spinor. This is an important quantity to set the upper bound limit of the electron electric dipole moment. Further, we have calculated molecular dipole moment and parallel magnetic hyperfine structure constant (A(parallel to)) of Pb-207 in PbF to test the accuracy of the wavefunction obtained in the Z-vector method. The outcome of our calculations clearly suggests that the core electrons have significant contribution to the {\textquoteleft}{\textquoteleft}atom in compound{\textquoteright}{\textquoteright} properties. (C) 2015 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4929591}, author = {Sasmal, Sudip and Pathak, Himadri and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article { ISI:000355645000021, title = {Carbon dioxide sequestration: influence of porous media on hydrate formation kinetics}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {3}, number = {6}, year = {2015}, month = {JUN}, pages = {1205-1214}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In the present study, CO, sequestration by hydrate formation in porous sediments has been discussed. Two siliceous materials with high porosities, pumice and fire hardened red clay (FHRC), have been used as packing materials in a fixed bed setup to study hydrate formation kinetics. The results obtained using the aforementioned materials were compared with those obtained using silica sand and quartz. Carbon dioxide hydrate formation kinetics was studied at 3.0 MPa pressure and 274 K temperature. Two different types of experiments were conducted: (a) using a constant volume of water and (b) maintaining a constant bed height. These experiments were conducted using the different porous media individually as packing materials. It was observed that pumice as the porous medium showed better hydrate formation kinetics resulting in 46 mol \% water to hydrate conversion in 5 h. Moreover, kinetics was enhanced with decrease in the bed height of pumice; this suggests that at field scale adaptation of CO, sequestration in geological formations, mass transfer limitations would be significant. The effects of particle size on hydrate formation kinetics were also investigated. It was observed that hydrate formation kinetics was enhanced with decrease in the particle size fraction.

}, keywords = {Bed height, Gas hydrate, gas uptake, Geological sequestration, Particle size}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.5b00171}, author = {Bhattacharjee, Gaurav and Kumar, Asheesh and Sakpal, Tushar and Kumar, Rajnish} } @article { ISI:000359885900003, title = {Carbon-carbon bond forming reactions: application of covalently anchored 2,4,6-triallyloxy-1,3,5-triazine (TAT) Pd(II) complex over modified surface of SBA-15 to Heck, Suzuki, Sonogashira and Hiyama cross coupling reactions}, journal = {Catalysis Communications}, volume = {69}, year = {2015}, month = {SEP}, pages = {11-15}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A highly active SBA-15-TAT-Pd(II) catalyst was synthesized from organofunctionalized SBA-15 and 2,4,6-triallyloxy-1,3,5-triazine. The catalyst was employed in carrying out Heck, {\textquoteleft}{\textquoteleft}copper-free{\textquoteright}{\textquoteright} Sonogashira, Suzuki and Hiyama cross coupling reactions. Under the optimized conditions the catalyst displays excellent catalytic activity in delivering the desired products in good to excellent yields. The catalytic system exhibited superior activity regarding the time taken for the completion of reaction, isolation, Pd loading (0.62 mmol\%) and yields of products as compared to the earlier reported heterogeneous SBA-15 anchored Pd catalysts. The catalyst could be recycled and reused for five times without any appreciable loss of catalytic activity. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Heck, Hiyama, SBA-15-TAT-Pd(II) catalyst, Sonogashira, Suzuki}, issn = {1566-7367}, doi = {10.1016/j.catcom.2015.05.013}, author = {Singh, Chandani and Jawade, Kiran and Sharma, Priti and Singh, Anand P. and Kumar, Pradeep} } @article { ISI:000348510400004, title = {Catalyst-dependent selectivity in the relay catalytic branching cascade}, journal = {Chemistry-A European Journal}, volume = {21}, number = {6}, year = {2015}, month = {FEB}, pages = {2319-2323}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The synthesis of small organic molecules as probes for discovering new therapeutic agents has been an important aspect of chemical biology. One of the best ways to access collections of small molecules is to use various techniques in diversity-oriented synthesis (DOS). Recently, a new form of DOS, namely relay catalytic branching cascades (RCBCs), has been introduced, wherein a common type of starting material reacts with several scaffold-building agents (SBAs) to obtain structurally diverse molecular scaffolds under the influence of catalysts. Herein, the RCBC reaction of a common type of substrate with SBAs is reported to give two different types of molecular scaffolds and their formation is essentially dependent on the type of catalyst used.

}, keywords = {alkynols, cascade synthesis, chemoselectivity, diversity-oriented synthesis, Homogeneous catalysis}, issn = {0947-6539}, doi = {10.1002/chem.201405736}, author = {Bansode, Avinash H. and Shaikh, Aslam C. and Kavthe, Rahul D. and Thorat, Shridhar and Gonnade, Rajesh G. and Patil, Nitin T.} } @article { ISI:000356739400008, title = {Catalytic conversion of furfural to industrial chemicals over supported Pt and Pd catalysts}, journal = {Journal of Catalysis}, volume = {327}, year = {2015}, month = {JUL}, pages = {65-77}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Several industrial chemicals were prepared by hydrogenation of furfural over gamma-Al2O3-supported Pt and Pd catalysts. These catalysts were active even at room temperature (25 degrees C). While the Pt catalysts were selective for C=O hydrogenation (yielding furfuryl alcohol), Pd facilitated ring hydrogenation (producing tetrahydrofurfuryl alcohol). At high temperature (240 degrees C), the Pd catalyst exhibited excellent decarbonylation activity forming furan with 85\% yield. The catalyst was reusable even in the absence of external hydrogen. The presence of hydrogen led to ring-opened products. Furan was quantitatively converted at 25 degrees C to tetrahydrofuran. Acidity of the support made a marked influence on the activity and selectivity. Pt on SO4-ZrO2 favored hydrogenolysis yielding 2-methyl furan along with furan with \>75 wt\% selectivity. Particle size, metal dispersion, and solvent influenced catalytic activity. Differences in structure and mode of furfural adsorption were also the causes for variations in selectivity of these supported Pt and Pd catalysts. (C) 2015 Elsevier Inc. All rights reserved.

}, keywords = {Biomass to fuels and chemicals, Decarbonylation, furfural, Hydrogenation, Hydrogenolysis, Supported Pt and Pd catalysts}, issn = {0021-9517}, doi = {10.1016/j.jcat.2015.04.018}, author = {Bhogeswararao, Seemala and Srinivas, D.} } @article { ISI:000361402900006, title = {Cathepsins of lepidopteran insects: aspects and prospects}, journal = {Insect Biochemistry and Molecular Biology}, volume = {64}, year = {2015}, month = {SEP}, pages = {51-59}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Molecular understanding of lepidopteran physiology has revealed that proteases consist of one of the central regulatory/reacting system for insect growth and survival. Among the various proteases, cathepsins are the most crucial cellular proteases, which play vital roles during insect development. In the present review, we have discussed various aspects of the lepidopteran insect cathepsins, emphasizing their roles in processes like development, growth, metamorphosis, apoptosis and immunity. Cathepsins are categorized into different types on the basis of their sequence diversification, leading to variation in structure and catalytic function. Cathepsins exhibit tissue and stage specific expression pattern which is fine-tuned by a delicate balance of expression, compartmentalization, zymogen activation, inhibition by protein inhibitors and degradation. The indispensability of cathepsins as cellular proteases in the above mentioned processes proposes them as novel targets for designing effective and specific insect controlling strategies. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Apoptosis, Cathepsin, Cysteine/aspartate protease, Development, Lepidoptera, Pest control, Stress response}, issn = {0965-1748}, doi = {10.1016/j.ibmb.2015.07.005}, author = {Saikhedkar, Nidhi and Summanwar, Aarohi and Joshi, Rakesh S. and Giri, Ashok P.} } @article { ISI:000358022300001, title = {Cations and dications of heavier group 14 elements in low oxidation states}, journal = {Dalton Transactions}, volume = {44}, number = {29}, year = {2015}, month = {JUN}, pages = {12903-12923}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Cations and dications of heavier group 14 elements in their low oxidation state have received widespread attention in recent years. The journey started with the isolation of a series of cations of the composition [(C5Me5)E:](+) [E = Si-Pb], followed by the more recent isolation of a Ge(II) dication encapsulated within a cryptand, a carbodiphosphorane stabilized [GeCl](+) monocation with a two coordinate Ge atom, Si(II) cations and dications stabilized by N-heterocyclic carbenes (NHCs), which highlights the ongoing growth and interest in the chemistry of tetrel(II) cations. This is presumably because the central atom (E) in these compounds contains two or three unoccupied valence orbitals as well as holds a lone pair of electrons. Such an electronic description represents ambiphilicity, which is of great interest for catalysis. The successful synthesis of divalent group 14 cations requires new synthetic strategies based on the sterically demanding neutral or monoanionic ligands, utilization of counter anions, and solvents with low nucleophilicity in order to minimize the degree of interactions with the cations. An alternative approach for the realization of divalent cations of group 14 elements is their coordination to the transition metals. This synthetic approach was successfully applied for the isolation of a range of transition metal coordinated divalent cations of group 14 elements. Apart from arousing academic interest some of these cations have found application as activators in the Ziegler-Natta polymerization of alkenes.

}, issn = {1477-9226}, doi = {10.1039/c5dt01912e}, author = {Swamy, V. S. V. S. N. and Pal, Shiv and Khan, Shabana and Sen, Sakya S.} } @article { ISI:000348833400001, title = {Characterization of 10-hydroxygeraniol dehydrogenase from catharanthus roseus reveals cascaded enzymatic activity in iridoid biosynthesis}, journal = {Scientific Reports}, volume = {5}, year = {2015}, month = {FEB}, pages = {Article Number: 8258}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Catharanthus roseus [L.] is a major source of the monoterpene indole alkaloids (MIAs), which are of significant interest due to their therapeutic value. These molecules are formed through an intermediate, cis-trans-nepetalactol, a cyclized product of 10-oxogeranial. One of the key enzymes involved in the biosynthesis of MIAs is an NAD(P)(+) dependent oxidoreductase system, 10-hydroxygeraniol dehydrogenase (Cr10HGO), which catalyses the formation of 10-oxogeranial from 10-hydroxygeraniol via 10-oxogeraniol or 10-hydroxygeranial. This work describes the cloning and functional characterization of Cr10HGO from C. roseus and its role in the iridoid biosynthesis. Substrate specificity studies indicated that, Cr10HGO has good activity on substrates such as 10-hydroxygeraniol, 10-oxogeraniol or 10-hydroxygeranial over monohydroxy linear terpene derivatives. Further it was observed that incubation of 10-hydroxygeraniol with Cr10HGO and iridoid synthase (CrIDS) in the presence of NADP(+) yielded a major metabolite, which was characterized as (1R, 4aS, 7S, 7aR)-nepetalactol by comparing its retention time, mass fragmentation pattern, and co-injection studies with that of the synthesized compound. These results indicate that there is concerted activity of Cr10HGO with iridoid synthase in the formation of (1R, 4aS, 7S, 7aR)-nepetalactol, an important intermediate in iridoid biosynthesis.

}, issn = {2045-2322}, doi = {10.1038/srep08258}, author = {Krithika, Ramakrishnan and Srivastava, Prabhakar Lal and Rani, Bajaj and Kolet, Swati P. and Chopade, Manojkumar and Soniya, Mantri and Thulasiram, Hirekodathakallu V.} } @article { ISI:000359596600058, title = {Charge-switchable gold nanoparticles for enhanced enzymatic thermostability}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {33}, year = {2015}, month = {JUL}, pages = {21517-21524}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This study illustrates a facile strategy for efficient immobilization of enzymes on a metal nanoparticle surface. The strategy proposed here enables the enzymatic activity to be retained while increasing the enzyme thermostability. It is demonstrated that the use of a zwitterionic amino acid tyrosine as a reducing and capping agent to synthesise gold nanoparticles allows efficient immobilization of phytase enzyme through charge-switchable electrostatic interactions. The detailed kinetic and thermodynamic studies reveal that the proposed enzyme immobilization strategy improves the overall quality of phytase by reducing the activation energy required for substrate hydrolysis and broadening the temperature window in which immobilized enzyme is able to operate. The outcomes of this study indicate that the underlying zwitterionic nature of 20 natural amino acids along with significant variability in their isoelectric points and hydropathy indices as well the ability of some of the amino acids to reduce metal ions is likely to offer significant opportunities for tailoring nano-bio interfaces in a rational manner for a range of biological applications.

}, issn = {1463-9076}, doi = {10.1039/c5cp03021h}, author = {Shankar, Shiv and Soni, Sarvesh K. and Daima, Hemant K. and Selvakannan, P. R. and Khire, Jayant Malhar and Bhargava, Suresh Kumar and Bansal, Vipul} } @article { ISI:000360705500008, title = {Chemical and biological metal nanoparticles as antimycobacterial agents: a comparative study}, journal = {International Journal of Antimicrobial Agents}, volume = {46}, number = {2}, year = {2015}, month = {AUG}, pages = {183-188}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Resistance among mycobacteria leading to multidrug-resistant and extensively drug-resistant tuberculosis is a major threat. However, nanotechnology has provided new insights in drug delivery and medicine development. This is the first comparative report to determine the activity of chemically and biologically synthesised silver nanoparticles (AgNPs) and gold nanoparticles (AuNPs) against mycobacteria. Screening data revealed the high mycobactericidal efficiency of AgNPs, with minimum inhibitory concentrations (MICs) of \<3 mu g/mL, whereas no such activity was exhibited by AuNPs at concentrations up to 100 mu g/mL. Moreover, in vitro and ex vivo THP-1 infection model assays showed greater efficacy of chemical AgNPs compared with biogenic AgNPs to inhibit active and dormant stage mycobacterial growth. Up to 40\% cytotoxicity against human cell lines was observed at a AgNP concentration of 10 x MIC (30 mu g/mL) after 48 h. AgNPs were shown to have more specificity towards mycobacteria than towards other Gram-negative and Gram-positive pathogenic bacteria. The selectivity index was found to be in the range of 11-23, indicating the potential of these nanoparticles for use in developing new therapeutics for tuberculosis. (C) 2015 Elsevier B.V. and the International Society of Chemotherapy. All rights reserved.

}, keywords = {Antibiotic resistance, Antimycobacterial agent, Cytotoxicity, Mycobacteria, Nanoparticles, tuberculosis}, issn = {0924-8579}, doi = {10.1016/j.ijantimicag.2015.03.014}, author = {Singh, Richa and Nawale, Laxman U. and Arkile, Manisha A. and Shedbalkar, Utkarsha U. and Wadhwani, Sweety A. and Sarkar, Dhiman and Chopade, Balu Ananda} } @article { ISI:000360510700002, title = {Chiral aziridine ring opening: facile synthesis of (R)-modletine and (R)-phenoxybenzamine hydrochloride}, journal = {Tetrahedron Letters}, volume = {56}, number = {38}, year = {2015}, month = {SEP}, pages = {5269-5271}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple and efficient synthesis of chiral drugs (R)-mexiletine 1, an anti-arrhythmic drug and (R)-phenoxybenzamine hydrochloride 2, an anti-hypertensive drug has been described via controlled reductive ring opening of chiral aziridine as a key step. The target compounds 1 and 2 were obtained in overall yields of 34\% and 10.5\%, respectively. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Aziridine, Mexiletine, Phenoxybenzamine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.07.032}, author = {Viswanadh, N. and Velayudham, R. and Jambu, S. and Sasikumar, M. and Muthukrishnan, Murugan} } @article { ISI:000358250800001, title = {Chromerid genomes reveal the evolutionary path from photosynthetic algae to obligate intracellular parasites}, journal = {Elife}, volume = {4}, year = {2015}, month = {JUL}, pages = {Article Number: e06974}, publisher = {ELIFE SCIENCES PUBLICATIONS LTD}, address = {SHERATON HOUSE, CASTLE PARK, CAMBRIDGE, CB3 0AX, ENGLAND}, abstract = {

The eukaryotic phylum Apicomplexa encompasses thousands of obligate intracellular parasites of humans and animals with immense socio-economic and health impacts. We sequenced nuclear genomes of Chromera velia and Vitrella brassicaformis, free-living non-parasitic photosynthetic algae closely related to apicomplexans. Proteins from key metabolic pathways and from the endomembrane trafficking systems associated with a free-living lifestyle have been progressively and non-randomly lost during adaptation to parasitism. The free-living ancestor contained a broad repertoire of genes many of which were repurposed for parasitic processes, such as extracellular proteins, components of a motility apparatus, and DNA-and RNA-binding protein families. Based on transcriptome analyses across 36 environmental conditions, Chromera orthologs of apicomplexan invasion-related motility genes were co-regulated with genes encoding the flagellar apparatus, supporting the functional contribution of flagella to the evolution of invasion machinery. This study provides insights into how obligate parasites with diverse life strategies arose from a once free-living phototrophic marine alga.

}, issn = {2050-084X}, doi = {10.7554/eLife.06974}, author = {Woo, Yong H. and Ansari, Hifzur and Otto, Thomas D. and Klinger, Christen M. and Kolisko, Martin and Michalek, Jan and Saxena, Alka and Shanmugam, Dhanasekaran and Tayyrov, Annageldi and Veluchamy, Alaguraj and Ali, Shahjahan and Bernal, Axel and del Campo, Javier and Cihlar, Jaromir and Flegontov, Pavel and Gornik, Sebastian G. and Hajduskova, Eva and Horak, Ales and Janouskovec, Jan and Katris, Nicholas J. and Mast, Fred D. and Miranda-Saavedra, Diego and Mourier, Tobias and Naeem, Raeece and Nair, Mridul and Panigrahi, Aswini K. and Rawlings, Neil D. and Padron-Regalado, Eriko and Ramaprasad, Abhinay and Samad, Nadira and Tomcala, Ales and Wilkes, Jon and Neafsey, Daniel E. and Doerig, Christian and Bowler, Chris and Keeling, Patrick J. and Roos, David S. and Dacks, Joel B. and Templeton, Thomas J. and Waller, Ross F. and Lukes, Julius and Obornik, Miroslav and Pain, Arnab} } @article { ISI:000352745300007, title = {Cloning, expression and in silico studies of a serine protease from a marine actinomycete (Nocardiopsis sp NCIM 5124)}, journal = {Process Biochemistry}, volume = {50}, number = {3}, year = {2015}, month = {MAR}, pages = {378-387}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A serine protease (N. protease), from Nocardiopsis sp., was cloned and expressed in Escherichia coli and investigated for its potential kinetic stability. Protein expression using two vectors, pET-22b (+) and pET-39b (+) was compared based on proper folding and soluble expression of the protein. pET-39b (+) was found to be a better vector for soluble expression of this protease containing disulfide bonds. In silico studies were also carried out for N. protease. Homology modeling suggested N. protease to be a member of PA clan of proteases. The phylogenetic analysis showed relatedness of N. protease to kinetically stable proteases. Molecular docking studies performed exhibited interaction of a peptide substrate with catalytic pocket of the enzyme. High temperature MD simulations were performed on N. protease to study its unfolding behavior and comparisons were made with alpha LP. A novel approach to study {\textquoteleft}cooperativity{\textquoteright} of protein unfolding was undertaken, wherein {\textquoteleft}P{\textquoteright} value analysis based on phi and psi values of the protein was performed. Data showed sharper P value transition for alpha LP when compared to N. protease thus indicating relatively less kinetic stability of N. protease. Present study holds significance as the non-streptomycete actinomycetes group is least explored and ensures industrially important enzymes with exceptional stabilities. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Actinomycetes, Cloning and expression, Kinetic stability, Protease, Thermal simulation}, issn = {1359-5113}, doi = {10.1016/j.procbio.2014.12.025}, author = {Rohamare, Sonali and Gaikwad, Sushama M. and Jones, Dafydd and Bhavnani, Varsha and Pal, Jayanta and Sharma, Ranu and Chatterjee, Prathit} } @article { ISI:000349500400006, title = {Co-catalyzed two-stereocentered hydrolytic kinetic resolution: application to the synthesis of yashabushidiols A and B and the lactone unit of compactin and mevinolin}, journal = {Tetrahedron-Asymmetry}, volume = {26}, number = {2-3}, year = {2015}, month = {FEB}, pages = {118-123}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and efficient enantioselective synthesis of yashabushidiols A and B and the beta-hydroxy-delta-lactone moiety of compactin and mevinolin with high enantiomeric purity (98\% ee) is described starting from commercially available materials. The strategy mainly comprises of iodine-induced intramolecular electrophilic addition of a carbonate occurring in a highly diastereoselective fashion and the Co-catalyzed two-stereocentered hydrolytic kinetic resolution of a functionalized epoxide as the chiral inducing step. (C) 2014 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2014.12.006}, author = {Gadakh, Sunita K. and Sudalai, Arumugam} } @article { ISI:000350614400029, title = {Cocrystallization of 2,3-dihydroxynaphthalene with its para-, meta-, and ortho-ditoluates: insight into cocrystal formation and clues for the construction of supramolecular assemblies capable of intermolecular acyl group transfer reactivity}, journal = {Crystal Growth \& Design}, volume = {15}, number = {3}, year = {2015}, month = {MAR}, pages = {1226-1232}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

2,3-Dihydroxynaphthalene forms 2:1 cocrystals with its p-ditoluate and 1:1 cocrystals with its m-ditoluate but not with the o-ditoluate. In 2:1 cocrystals of the p-ditoluate, naphthalene diol molecules form a dimeric motif through OH...O hydrogen bonding interactions. The adjacent dimers sandwich the molecules of p-ditoluate through C-H...pi interactions. In 1:1 cocrystals of the m-ditoluate, naphthalene diol molecules generate a zigzag pattern through O-H...O hydrogen bonding interaction involving -OH of the diol and the C=O of the m-ditoluate. Intermolecular toluoyl group transfer reaction was more facile in cocrystals of the p-ditoluate as compared to cocrystals of the m-ditoluate. This difference in reactivity is consistent with the relative geometry of the electrophile (El, C-O) and the nucleophile (Nu, OH) in these cocrystals. A comparison of the cocrystallization behavior and structure of the two cocrystals with their constituents suggests that the position of the methyl group is crucial for cocrystal formation. A survey of the CSD revealed that the incidence of polymorphism and cocrystals formation decreases (number of hits) in the order para- \> ortho- \> meta- for disubstituted benzene derivatives. This suggests that compounds prone to exhibit polymorphism have more propensities to form cocrystals as compared to those that resist polymorphism. This information could be useful while selecting cocrystal formers and construction of supramolecular functional assemblies with desired properties.

}, issn = {1528-7483}, doi = {10.1021/cg501620g}, author = {Tamboli, Majid I. and Bahadur, Vir and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article { ISI:000355638100042, title = {Coherent fusion of water array and protonated amine in a metal-sulfate-based coordination polymer for proton conduction}, journal = {Inorganic Chemistry}, volume = {54}, number = {11}, year = {2015}, month = {JUN}, pages = {5366-5371}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new function of metal-sulfate-based co-ordination polymer (CP) for proton,conduction Was investigated through rational integration of a continuous water array and protonated amine in the coordination space of the CP. The H-bonded arrays of watet molecules along with nitrogen-rich aromatic cation (protonated melamine) facilitate proton conduction in the compound under humid conditions. Although several reports of metal-oxalate/phosphate-based CPs showing proton conduction are known, this is the first designed synthesis of a metal sulfate-based CP bearing-Water arrays functioning as a solid-state proton conductor:

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b00416}, author = {Manna, Biplab and Anothumakkool, Bihag and Desai, Aamod V. and Samanta, Partha and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article { ISI:000357498200004, title = {Combined experimental and theoretical study of the structural, electronic and vibrational properties of bulk and few-layer Td-WTe2}, journal = {Journal of Physics-Condensed Matter}, volume = {27}, number = {28}, year = {2015}, month = {JUL}, pages = {285401}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

The recent discovery of non-saturating giant positive magnetoresistance has aroused much interest in Td-WTe2. We have investigated structural, electronic and vibrational properties of bulk and few-layer Td-WTe2 experimentally and theoretically. Spin-orbit coupling is found to govern the semi-metallic character of Td-WTe2 and its structural link with the metallic 1 T form provides an understanding of its structural stability. There is a metal-to-insulator switch-over in the electrical conductivity and a change in the sign of the Seebeck coefficient around 373 K. Lattice vibrations of Td-WTe2 have been analyzed using first-principles calculations. Out of the 33 possible zone-center Raman active modes, five distinct Raman bands are observed around 112, 118, 134, 165 and 212 cm(-1) in bulk Td-WTe2. Based on symmetry analysis and calculated Raman tensors, we assign the intense bands at 165 cm(-1) and 212 cm(-1) to the A(1){\textquoteright} and A(1){\textquoteright}{\textquoteright} modes, respectively. Most of the Raman bands stiffen with decreasing thickness, and the ratio of the integrated intensities of the A(1){\textquoteright}{\textquoteright} to A(1){\textquoteright} bands decreases in the few-layer sample, while all the bands soften in both the bulk and few-layer samples with increasing temperature.

}, keywords = {Raman spectroscopy, Td-structure, tungsten ditelluride}, issn = {0953-8984}, doi = {10.1088/0953-8984/27/28/285401}, author = {Jana, Manoj K. and Singh, Anjali and Late, Dattatray J. and Rajamathi, Catherine R. and Biswas, Kanishka and Felser, Claudia and Waghmare, Umesh V. and Rao, C. N. R.} } @article { ISI:000362388700006, title = {Comparison of codon usage bias across leishmania and trypanosomatids to understand mRNA secondary structure, relative protein abundance and pathway functions}, journal = {Genomics}, volume = {106}, number = {4}, year = {2015}, month = {OCT}, pages = {232-241}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Understanding the variations in gene organization and its effect on the phenotype across different Leishmania species, and to study differential clinical manifestations of parasite within the host, we performed large scale analysis of codon usage patterns between Leishmania and other known Trypanosomatid species. We present; the causes and consequences of codon usage bias in Leishmania genomes with respect to mutational pressure, translational selection and amino acid composition bias. We establish GC bias at wobble position that governs codon usage bias across Leishmania species, rather than amino acid composition bias. We found that, within Leishmania, homogenous codon context coding for less frequent amino acid pairs and codons avoiding formation of folding structures in mRNA are essentially chosen. We predicted putative differences in global expression between genes belonging to specific pathways across Leishmania. This explains the role of evolution in shaping the otherwise conserved genome to demonstrate species-specific function-level differences for efficient survival. (C) 2015 Elsevier Inc. All rights reserved.

}, keywords = {Amino acid bias, Base composition, Codon usage bias, Leishmania, Mutation, Selection bias, Species specificity}, issn = {0888-7543}, doi = {10.1016/j.ygeno.2015.05.009}, author = {Subramanian, Abhishek and Sarkar, Ram Rup} } @article { ISI:000348650000002, title = {Comparison of human cell signaling pathway databases-evolution, drawbacks and challenges}, journal = {Database-the Journal of Biological Databases and Curation}, year = {2015}, month = {JAN}, pages = {Article Number: bau126}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {

Elucidating the complexities of cell signaling pathways is of immense importance to gain understanding about various biological phenomenon, such as dynamics of gene/protein expression regulation, cell fate determination, embryogenesis and disease progression. The successful completion of human genome project has also helped experimental and theoretical biologists to analyze various important pathways. To advance this study, during the past two decades, systematic collections of pathway data from experimental studies have been compiled and distributed freely by several databases, which also integrate various computational tools for further analysis. Despite significant advancements, there exist several drawbacks and challenges, such as pathway data heterogeneity, annotation, regular update and automated image reconstructions, which motivated us to perform a thorough review on popular and actively functioning 24 cell signaling databases. Based on two major characteristics, pathway information and technical details, freely accessible data from commercial and academic databases are examined to understand their evolution and enrichment. This review not only helps to identify some novel and useful features, which are not yet included in any of the databases but also highlights their current limitations and subsequently propose the reasonable solutions for future database development, which could be useful to the whole scientific community.

}, issn = {1758-0463}, doi = {10.1093/database/bau126}, author = {Chowdhury, Saikat and Sarkar, Ram Rup} } @article {45932, title = {Concise enantioselective synthesis of (2S,3S)-3-hydroxypipecolic acid via proline catalyzed alpha-aminooxylation of aldehydes and Pd-catalyzed ether directed aza-Claisen rearrangements}, journal = {Tetrahedron-Asymmetry}, volume = {26}, year = {2015}, month = {JAN }, pages = {24-28}, type = {Article}, abstract = {

An efficient approach to (2S,3S)-3-hydroxypipecolic acid with an overall yield of 10.2\% and 98\% ee starting from 1,5-pentanediol has been developed. The key steps employed in the synthesis are the D-proline catalyzed sequential alpha-aminooxylation/Horner-Wadsworth-Emmons olefination of an aldehyde and the Pd-catalyzed MOM-ether directed aza-Claisen rearrangement of an allylic trichloroacetimidate. (C) 2014 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2014.11.010}, author = {Ahuja, Brij Bhushan and Sudalai, Arumugam} } @article { ISI:000353085000004, title = {Concise enantioselective synthesis of marine macrolide-stagonolide E via organocatalysis}, journal = {Tetrahedron-Asymmetry}, volume = {26}, number = {7}, year = {2015}, month = {APR}, pages = {344-349}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short and efficient enantioselective synthesis of marine macrolide stagonolide E in high enantiomeric purity (98\% ee and 8.5\% overall yield) starting from commercially available raw materials has been achieved. The strategy involves proline catalyzed sequential alpha-aminooxylation and Horner-Wadsworth-Emmons olefination, highly stereoselective Ando{\textquoteright}s cis-olefination, and modified Yamaguchi macrolactonization as the key reaction steps. (C) 2015 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2015.03.001}, author = {Dey, Soumen and Sudalai, Arumugam} } @article { ISI:000354982900007, title = {Concise enantioselective synthesis of naturally active (S)-3-hydroxypiperidine}, journal = {Synthetic Communications}, volume = {45}, number = {13}, year = {2015}, month = {APR}, pages = {1559-1565}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

A short and efficient enantioselective synthesis of natural product (S)-3-hydroxypiperidine has been achieved starting from commercially available raw materials employing two catalytic routes: (i) cocatalyzed hydrolytic kinetic resolution (HKR) of racemic methyl-3-(oxiran-2-yl)propanoate; (ii) proline-catalyzed -aminooxylation followed by Horner-Wardsworth-Emmons olefination in high enantiomeric purity (97\% ee) and high overall yield (38\%).

}, keywords = {Asymmetric synthesis, bioactivity, Enantioselectivity, Natural products, organocatalysis}, issn = {0039-7911}, doi = {10.1080/00397911.2015.1033428}, author = {Dey, Soumen and Karabal, Pratibha U. and Sudalai, Arumugam} } @article {45938, title = {Concise enantioselective synthesis of (R)-selegiline, (S)-benzphetamine and formal synthesis of (R)-sitagliptin via electrophilic azidation of chiral imide enolates}, journal = {Tetrahedron-Asymmetry}, volume = {26}, year = {2015}, month = {JAN}, pages = {67-72}, type = {Article}, abstract = {

A concise and high yielding enantioselective synthesis of (R)-selegiline, an anti-Parkinson{\textquoteright}s drug, (S)-benzphetamine, an anti-obesity agent, and (S)-sitagliptin, an anti-diabetic drug has been described starting from commercially available starting materials employing Evans{\textquoteright} electrophilic azidation of chiral imide enolates as a key chiral inducing step, which proceeds in a highly diastereoselective manner (\>99\%). (C) 2014 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2014.11.014}, author = {Dey, Soumen and Sudalai, Arumugam} } @article { ISI:000360112400004, title = {Concise synthesis of (+/-)-clopidogrel via carboxylation of benzylamine with CO2}, journal = {Synthetic Communications}, volume = {45}, number = {18}, year = {2015}, month = {JUN}, pages = {2099-2105}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

A concise and efficient synthesis of (+/-)-clopidogrel, an antithrombotic agent, is achieved by inserting CO2 at the benzylic position as the key reaction without using any toxic transition metals. The overall yield of the synthetic process is 38\% and the salient features include operationally simple process chemistry and fewer steps.

}, keywords = {Antithrombatic agent, clopidogrel, CO2 insertion, Plavix}, issn = {0039-7911}, doi = {10.1080/00397911.2015.1061671}, author = {Venkataramasubramanian, V. and Sudalai, Arumugam} } @article { ISI:000349401300020, title = {Conformational modulation of peptides using beta-amino benzenesulfonic acid ((S)Ant)}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {7}, year = {2015}, month = {DEC}, pages = {2087-2091}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the utility of a conformationally restricted aromatic beta-amino acid (2-aminobenzenesulfonic acid, (S)Ant) inducing various folding interactions in short peptides. Sandwiching (S)Ant between diverse amino acid residues was shown to form robust folded architectures featuring a variety of H-bonded networks, suggesting its utility in inducing peptide folding.

}, issn = {1477-0520}, doi = {10.1039/c4ob02421d}, author = {Priya, Gowri and Kotmale, Amol S. and Chakravarty, Debamitra K. and Puranik, Vedavati G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000364613700010, title = {Construction and structural diversity of Cd-MOFs with pyrazole based flexible ligands and positional isomer of naphthalenedisulfonate}, journal = {Inorganic Chemistry Communications}, volume = {61}, year = {2015}, month = {NOV}, pages = {35-40}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In the present communication, we have reported the construction of a series of Cd(II)-MOFs using conformationally flexible ligand (CFL); 3,3{\textquoteright},5,5{\textquoteright}-tetramethy1-4,4{\textquoteright}-bipyrazolyl (H(2)BPz), flexible bent ligand (FBL); methylenebis-(3,5-dimethylpyrazole) (H(2)MBPz) and positional isomer of naphthalene disulfonic acid salt ligands (1,5-NDS, 2,6-NDS). By using these ligands, four new coordination polymers namely [Cd(H(2)MBPz)(2) center dot 1,5-NDSA](n) (NDS-MOF-1), [Cd(H(2)BPz)center dot 1,5-NDSA](n) (NDS-MOF-2), {[Cd(H(2)MBPz)(2)](2+)center dot 2,6-NDSA(2-)}(n), (NDS-MOF-3) and {[Cd(H(2)BPz)(2)](2+).2,6-NDSA(n)(2-}) (NDS-MOF-4) have been synthesized. The crystal structure analysis revealed that the employment of positional isomeric naphthalene disulfonic acid salts resulted in different architectures ranging from one dimensional chain to two dimensional grid network and further connected into a three dimensional supramolecular structure through intermolecular hydrogen bonds, pi center dot center dot center dot pi and C-H center dot center dot center dot pi interactions. In addition, the photophysical properties and thermal stability studies for all the NDS-M0F5 1-4 were also investigated. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Cadmium(II), Conformation, coordination polymers, Naphthalenedisulfonate, Photophysical properties, thermal stability}, issn = {1387-7003}, doi = {10.1016/j.inoche.2015.08.009}, author = {Singh, Udai P. and Singh, Neetu and Chandra, Suman} } @article { ISI:000349726500017, title = {Continuous precipitation of calcium carbonate using sonochemical reactor}, journal = {Ultrasonics Sonochemistry}, volume = {24}, year = {2015}, month = {MAY}, pages = {132-139}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The continuous production of calcium carbonate (CaCO3) by precipitation method at room temperature was carried out in a stirred reactor under ultrasonic environment and was compared with the conventional stirring method. The effect of various operating parameters such as Ca(OH)(2) slurry concentration, CO2 flow rate and Ca(OH)(2) slurry flow rate on the particle size of CaCO3 was investigated. The calcium carbonate particles were characterized by Fourier transform infrared (FTIR), wide angle X-ray diffraction (WXRD) and particle size. The morphology was studied by using scanning electron microscopic (SEM) images. The particle size obtained in the presence of ultrasonic environment was found to be smaller as compared to conventional stirring method. The particle size is found to be reduced with an increase in the concentrations of Ca(OH)(2) and increased with increasing CO2 flow rate for both the methods. The slurry flow rate had a major effect on the particle size and the particle size decreased with increased slurry flow rate. Only calcite phase of CaCO3 was predominantly present as confirmed by the characterization techniques for both the preparation methods. In most of the cases rhombohedral calcite particles were observed. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Calcite, Crystal growth, Morphology, Nucleation, Particle size, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2014.12.003}, author = {Shirsath, S. R. and Sonawane, S. H. and Saini, D. R. and Pandit, A. B.} } @article { ISI:000361866400009, title = {Continuous-flow nitration of o-xylene: effect of nitrating agent and feasibility of tubular reactors for scale-up}, journal = {Organic Process Research \& Development}, volume = {19}, number = {9, SI}, year = {2015}, month = {SEP}, pages = {1138-1147}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Continuous-flow nitration of o-xylene has been studied with different nitrating agents over a wide range of conditions for different parameters such as temperature, residence time, and concentrations. A nitrating mixture comprising sulfuric acid and fuming nitric acid was seen to yield higher selectivity for the isomer 1,2-dimethyl-3-nitrobenzene over the isomer 1,2-dimethyl-4-nitrobenzene and also a non-negligible quantity of dinitro derivatives of o-xylene. With only fuming nitric acid as the nitrating agent, the reaction was selective for 1,2-dimethyl-4-nitrobenzene over 1,2-dimethyl-3-nitrobenzene. Impurities mainly come from nitration of mononitro derivatives, and this occurs more from nitration of the 3-nitro isomer because of its higher reactivity with nitric acid. An economic analysis of the continuous-flow reactor for the production of 1,2-dimethyl-4-nitrobenzene at 100 and 500 kg/h in a jacketed tubular reactor showed that numbering-up is a more economical approach for higher production capacity. A combination of large- and small-sized tubes depending upon the relative rates of heat generation during a reaction will achieve more profit and a shorter payback period than having the entire reactor made of a single tube size.

}, issn = {1083-6160}, doi = {10.1021/acs.oprd.5b00064}, author = {Sharma, Y. and Joshi, Ramesh A. and Kulkarni, A. A.} } @article { ISI:000357907800052, title = {CRE for magic(modular, agile, intensified \& continuous) processes}, journal = {Chemical Engineering Journal}, volume = {278}, number = {SI}, year = {2015}, note = {23rd International Symposium on Chemical Reaction Engineering (ISCRE), Bangkok, THAILAND, SEP 07-10, 2014}, month = {OCT}, pages = {454-468}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Fine and specialty chemical industry caters to several key applications required for maintaining and enhancing quality of life. Most of these fine and specialty chemicals are still manufactured in stirred tank reactors operated in batch or semi-batch modes. A paradigm shift is necessary to transform these into new age, efficient and continuous processes and plants. In this paper, recent attempts of our group on developing MAGIC (modular, agile, intensified and continuous) devices, processes and plants for fine and specialty chemicals industry are discussed. The focus is on key chemical reaction engineering aspects of developing MAGIC processes. An attempt is made to evolve guidelines for designing MAGIC devices and reactors. The discussion will be useful to researchers as well as to industry practitioners. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Agile, Continuous, CRE, Intensified, Modular}, issn = {1385-8947}, doi = {10.1016/j.cej.2014.12.050}, author = {Ranade, Vivek V. and Sharma, Mrityunjay K. and Kulkarni, Amol A.} } @article { ISI:000353218500003, title = {Crystal structure of a plant albumin from cicer arietinum (chickpea) possessing hemopexin fold and hemagglutination activity}, journal = {Planta}, volume = {241}, number = {5}, year = {2015}, month = {MAY}, pages = {1061-1073}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Crystal structure of a reported PA2 albumin from Cicer arietinum shows that it belongs to hemopexin fold family, has four beta-propeller motifs and possesses hemagglutination activity, making it different from known legume lectins. A plant albumin (PA2) from Cicer arietinum, presumably a lectin (CAL) owing to its hemagglutination activity which is inhibited by complex sugars as well as glycoproteins such as fetuin, desialylated fetuin and fibrinogen. The three-dimensional structure of this homodimeric protein has been determined using X-ray crystallography at 2.2 in two crystal forms: orthorhombic (P2(1)2(1)2) and trigonal (P3). The structure determined using molecular replacement method and refined in orthorhombic crystal form reached R-factors R (free) 22.6 \% and R (work) 18.2 \% and in trigonal form had 22.3 and 17.9 \% in the resolution range of 20.0-2.2 and 35.3-2.2 , respectively. Interestingly, unlike the known legume lectin fold, the structure of this homodimeric hemagglutinin belonged to hemopexin fold that consisted of four-bladed beta-propeller architecture. Each subunit has a central cavity forming a channel, inside of which is lined with hydrophobic residues. The channel also bears binding sites for ligands such as calcium, sodium and chloride ions, iodine atom in the case of iodine derivative and water molecules. However, none of these ligands seem important for the sugar recognition. No monosaccharide sugar specificity could be detected using hemagglutination inhibition. Chemical modification studies identified a potential sugar-binding site per subunit molecule. Comparison of C-alpha atom positions in subunit structures showed that the deviations between the two crystal forms were more with respect to blades I and IV. Differences also existed between subunits in two forms in terms of type and site of ligand binding.

}, keywords = {Beta-propeller fold, Chemical modification, Chickpea lectin, Complex sugars, PA2 albumin, Sugar binding}, issn = {0032-0935}, doi = {10.1007/s00425-014-2236-6}, author = {Sharma, Urvashi and Katre, Uma V. and Suresh, C. G.} } @article { ISI:000364509100013, title = {Crystal structures of the pyrazinamide-p-aminobenzoic acid (1/1) cocrystal and the transamidation reaction product 4-(pyrazine-2-carboxamido)-benzoic acid in the molten state}, journal = {Acta Crystallographica Section C-Structural Chemistry}, volume = {71}, number = {11}, year = {2015}, month = {NOV}, pages = {1010-U276}, publisher = {INT UNION CRYSTALLOGRAPHY}, address = {2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND}, abstract = {

The synthesis of pharmaceutical cocrystals is a strategy to enhance the performance of active pharmaceutical ingredients (APIs) without affecting their therapeutic efficiency. The 1: 1 pharmaceutical cocrystal of the antituberculosis drug pyrazinamide (PZA) and the cocrystal former p-aminobenzoic acid (p-ABA), C7H7NO2- C5H5N3O, (1), was synthesized successfully and characterized by relevant solid-state characterization methods. The cocrystal crystallizes in the monoclinic space group P21/n containing one molecule of each component. Both molecules associate via intermolecular O-H center dot center dot center dot O and NH center dot center dot center dot O hydrogen bonds [O center dot center dot center dot O = 2.6102 (15)angstrom and O-H center dot center dot center dot O = 168.3 (19)degrees; N center dot center dot center dot O = 2.9259 (18) angstrom and N-H center dot center dot center dot O = 167.7 (16)degrees] to generate a dimeric acidamide synthon. Neighbouring dimers are linked centrosymmetrically through N-H center dot center dot center dot O interactions [N center dot center dot center dot O = 3.1201 (18) angstrom and N-H center dot center dot center dot O = 136.9 (14)degrees] to form a tetrameric assembly supplemented by C-H center dot center dot center dot N interactions [C center dot center dot center dot N = 3.5277 (19) angstrom and C-H center dot center dot center dot N = 147 degrees]. Linking of these tetrameric assemblies through N-H center dot center dot center dot O [N center dot center dot center dot O = 3.3026 (19) angstrom and N-H center dot center dot center dot O = 143.1 (17)degrees], NH center dot center dot center dot N [N center dot center dot center dot N = 3.221 (2) angstrom and N-H center dot center dot center dot N = 177.9 (17)degrees] and C-H center dot center dot center dot O [C center dot center dot center dot O = 3.5354 (18) angstrom and C-H center dot center dot center dot O = 152 degrees] interactions creates the twodimensional packing. Recrystallization of the cocrystals from the molten state revealed the formation of 4-(pyrazine-2-carboxamido) benzoic acid, C12H9N3O3, (2), through a transamidation reaction between PZA and p-ABA. Carboxamide (2) crystallizes in the triclinic space group P1 with one molecule in the asymmetric unit. Molecules of (2) form a centrosymmetric dimeric homosynthon through an acid-acid O-H center dot center dot center dot O hydrogen bond [O center dot center dot center dot O = 2.666 (3) angstrom and O-H center dot center dot center dot O = 178 (4) degrees]. Neighbouring assemblies are connected centrosymmetrically via a C-H center dot center dot center dot N interaction [C center dot center dot center dot N = 3.365 (3) angstrom and C-H center dot center dot center dot N = 142 degrees] engaging the pyrazine groups to generate a linear chain. Adjacent chains are connected loosely via C-H center dot center dot center dot O interactions [C center dot center dot center dot O = 3.212 (3) angstrom and CH center dot center dot center dot O = 149 degrees] to generate a two-dimensional sheet structure. Closely associated two-dimensional sheets in both compounds are stacked via aromatic pi-stacking interactions engaging the pyrazine and benzene rings to create a threedimensional multi-stack structure.

}, keywords = {acid-amide hetero-synthon, active pharmaceutical ingredient (API), cocrystal, crystal structure, hydrogen bonding, molten-state reaction, powder diffraction, transamidation reaction}, issn = {2053-2296}, doi = {10.1107/S2053229615019828}, author = {Thorat, Shridhar H. and Sahu, Sanjay Kumar and Gonnade, Rajesh G.} } @article { ISI:000354794500012, title = {Cu-catalyzed debrominative cyanation of gem-dibromoolefins: a facile access to alpha,beta-unsaturated nitriles}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {21}, year = {2015}, month = {APR}, pages = {5918-5923}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An efficient catalytic route for the synthesis of alpha,beta-unsaturated nitriles from easily accessible gem-dibromoolefins has been developed. The method utilized inexpensive reagents such as Cu2O as a catalyst, L-proline as a ligand and NaCN as a cyanide source to afford alpha,beta-unsaturated nitriles in high yields (62-86\%). A deuterium exchange study has shown that one of the bromide atoms of gem-dibromoolefins exchanges with cyanide while the other with a deuterium atom.

}, issn = {1477-0520}, doi = {10.1039/c5ob00394f}, author = {Ahuja, Brij Bhushan and Sudalai, Arumugam} } @article { ISI:000355762900032, title = {Cytostatic ruthenium(II)-platinum(II) bis(terpyridyl) anticancer complex that blocks entry into sphase by up-regulating p27(KIP1)}, journal = {Chemistry-A European Journal}, volume = {21}, number = {25}, year = {2015}, month = {JUN}, pages = {9185-9197}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Cytostatic agents that interfere with specific cellular components to prevent cancer cell growth offer an attractive alternative, or complement, to traditional cytotoxic chemotherapy. Here, we describe the synthesis and characterization of a new binuclear Ru-II-Pt-II complex [Ru(tpy)(tpypma)Pt(Cl)(DMSO)](3+) (tpy=2,2:6,2-terpyridine and tpypma=4-([2,2:6,2-terpyridine]-4-yl)-N-(pyridin-2-ylmethyl)aniline), VR54, which employs the extended terpyridine tpypma ligand to link the two metal centres. In cell-free conditions, VR54 binds DNA by non-intercalative reversible mechanisms (K-b=1.3x10(5)M(-1)) and does not irreversibly bind guanosine. Cellular studies reveal that VR54 suppresses proliferation of A2780 ovarian cancer cells with no cross-resistance in the A2780CIS cisplatin-resistant cell line. Through the preparation of mononuclear Ru-II and Pt-II structural derivatives it was determined that both metal centres are required for this anti-proliferative activity. In stark contrast to cisplatin, VR54 neither activates the DNA-damage response network nor induces significant levels of cell death. Instead, VR54 is cytostatic and inhibits cell proliferation by up-regulating the cyclin-dependent kinase inhibitor p27(KIP1) and inhibiting retinoblastoma protein phosphorylation, which blocks entry into Sphase and results in G1 cell cycle arrest. Thus, VR54 inhibits cancer cell growth by a gain of function at the G1 restriction point. This is the first metal-coordination compound to demonstrate such activity.

}, keywords = {antitumor agents, cytostatic, p27KIP1, platinum drugs, ruthenium terpyridine}, issn = {0947-6539}, doi = {10.1002/chem.201500561}, author = {Ramu, Vadde and Gill, Martin R. and Jarman, Paul J. and Turton, David and Thomas, Jim A. and Das, Amitava and Smythe, Carl} } @article {43043, title = {Data in support of large scale comparative codon usage analysis in leishmania and trypanosomatids}, journal = {Data Brief}, volume = {4}, year = {2015}, month = {JUN}, pages = {269-272}, type = {Article}, abstract = {

This data article contains data related to the article {\textquotedblleft}Comparison of codon usage bias across Leishmania and Trypanosomatids to understand mRNA secondary structure, relative protein abundance and pathway functions{\textquotedblright} by Subramanian and Sarkar [1]. The data comprises of sequence-based measures that quantify the effect of codon usage across genomes. The data thus generated represents computed values of codon usage indices like relative synonymous codon usage (RSCU), effective number of codons (ENC), and codon adaptation index (CAI), a set of single copy orthologous genes common to the 13 Trypanosomatids, and comparisons of CAI between genes of different functions. This forms a basis of comparison to infer the causes and consequences of codon usage bias in Leishmania and other Trypanosomatids.

}, doi = {10.1016/j.dib.2015.06.003}, author = {Subramanian, Abhishek and Sarkar, Ram Rup} } @article { ISI:000346006700016, title = {Decoration of CdS nanoparticles on 3D self-assembled ZnO nanorods: a single-step process with enhanced field emission behaviour}, journal = {CrystEngComm}, volume = {17}, number = {1}, year = {2015}, month = {NOV}, pages = {140-148}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A well-defined CdS-ZnO heteroarchitecture has been synthesized via a facile single-step hydrothermal approach. The morphological and structural studies reveal the formation of 3D nano-architectures, in which self-assembled ZnO nanorods (diameter similar to 50 nm) are well decorated with single crystalline CdS nanoparticles (size similar to 10 nm). The CdS-ZnO heteroarchitecture exhibits a remarkable change in the optical absorption due to the surface modification of ZnO nanorods by CdS. Surprisingly, under identical reaction conditions, the global ZnS nanoparticles are selectively grown at the apex of ZnO nanorods on the Zn substrate. Furthermore, a plausible growth mechanism has been presented on the basis of experimental results. Interestingly, the CdS-ZnO heteroarchitecture shows enhanced field emission properties such as low turn-on field, high emission current density and better current stability in comparison to other ZnO-based nanostructures. The present CdS-ZnO heteroarchitecture could be extended to other potential applications, such as chemical sensors, photodetectors, optoelectronic devices, and photocatalysts.

}, issn = {1466-8033}, doi = {10.1039/c4ce01738b}, author = {Warule, Sambhaji S. and Chaudhari, Nilima S. and Shisode, Raju T. and Desa, Keith V. and Kale, Bharat B. and More, Mahendra A.} } @article { ISI:000347249500015, title = {Deinococcus enclensis sp nov., isolated from a marine sediment sample}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {107}, number = {1}, year = {2015}, month = {JAN}, pages = {141-148}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A novel pale-pink coloured strain, designated NIO-1023(T), was isolated from a marine sediment sample from Chorao Island, Goa, India. The taxonomic position of strain NIO-1023(T) was investigated by using a polyphasic approach. The cells were observed to be Gram-stain positive, coccal shaped and non-spore forming. Phylogenetic analyses using the 16S rRNA gene sequence of the isolate indicated that the organism belongs to the genus Deinococcus. The strain NIO-1023(T) showed highest 16S rRNA gene sequence similarities with Deinococcus ficus (97.8 \%), whereas other Deinococcus species showed less than 95 \% sequence similarity. The DNA-DNA relatedness with respect to D. ficus CC-FR2-10(T) was 23.9 \%. Chemotaxonomic data revealed that strain NIO-1023(T) contains only menaquinone MK-8 as the respiratory quinone and a complex polar lipid profile consisting of different unidentified glycolipids and polar lipids, two unknown phospholipids and three unknown phosphoglycolipids. As in other deinococci, one of these phosphoglycolipids was predominant in the profile. The predominant fatty acids were identified as C-17:1 w8c, C-16:1 w6c/w7c, C-15:1 w6c and C-17:1 w9c. The genomic DNA G + C content of strain NIO-1023(T) was determined to be 67.2 mol\%. The biochemical and chemotaxonomic properties demonstrate that strain NIO-1023(T) represents a novel species, for which the name Deinococcus enclensis sp. nov. is proposed. The type strain is NIO-1023(T) (=DSM 25127(T) = NCIM 5456(T)).

}, keywords = {16S rRNA, Deinococcus, Marine sediments, Polyphasic}, issn = {0003-6072}, doi = {10.1007/s10482-014-0311-4}, author = {Thorat, Meghana N. and Mawlankar, Rahul R. and Sonalkar, Vidya V. and Ramana, V. Venkata and Joseph, Neeta and Shouche, Yogesh S. and Dastager, Syed Gulam} } @article { ISI:000361004700026, title = {Design and synthesis of 11 alpha-substituted bile acid derivatives as potential anti-tuberculosis agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {25}, number = {19}, year = {2015}, month = {OCT}, pages = {4185-4190}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We have synthesized a series of novel 11 alpha-triazoyl bile acid derivatives. In addition, we also have synthesized N-alkyl and N-acyl derivatives of C-11 amino bile acid esters. All the compounds were evaluated for the inhibitory activity against Mycobacterium tuberculosis H37Ra (MTB) at 30 mu g/mL level. Four lead compounds (2b, 3, 7 and 8) were further confirmed from their dose dependent effect against MTB. These compounds were found to be active against Dormant and active stage MTB under both in vitro as well as within THP1 host macrophages. The most promising compound 2b showed strong antitubercular activities against MTB under in vitro and ex vivo (IC90 value of similar to 3 mu g/mL) conditions and almost insignificant cytotoxicity up to 100 mu g/mL against THP-1, A549 and PANC-1 human cancer cell lines. Inactivity of all these compounds against Gram positive and Gram negative bacteria indicates their specificity. Molecular docking studies of these compounds into the active site of DprE1 enzyme revealed a similar binding mode to native ligands in the crystal structure thereby helping to establish a structural basis of inhibition of MTB. The synthesized compounds were analyzed for ADME properties and showed potential to develop good oral drug candidates. Our results clearly indicate the identification of some novel, selective and specific inhibitors against MTB that can be explored further for potential antitubercular drug. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Antituberculosis, Bile acids, Cycloaddition, Docking study, In silico ADME}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2015.08.006}, author = {Pore, Vandana S. and Divse, Jaisingh M. and Charolkar, Chaitanya R. and Nawale, Laxman U. and Khedkar, Vijay M. and Sarkar, Dhiman} } @article { ISI:000364803200011, title = {Design and synthesis of a focused library of diamino triazines as potential mycobacterium tuberculosis DHFR inhibitors}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1140-1144}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report design of a series of 2,4-diamino triazines as Mycobacterium tuberculosis (Mtb) dihydrofolate reductase inhibitors. The synthesized compounds were evaluated against Mtb (H(37)Rv and Dormant stage H37Ra), their cytotoxicity was assessed (HepG2 and A549 cell lines), and selectivity toward Mtb was evaluated by testing against other bacterial strains. Some derivatives showed promising activity along with low cytotoxicity. The most potent compound in the whole cell assay (MIC 0.325 mu M against H(37)Rv) showed selectivity in the enzyme assay and exhibited synergy with second line anti-TB agent p-amino salicylic acid. This study therefore provides promising molecules for further development as antituberculosis DHFR inhibitors.

}, keywords = {Diamino triazine, dihydrofolate reductase, enzyme assay, molecular modeling, Mycobacterium tuberculosis, selectivity, synergy}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00367}, author = {Lele, Arundhati C. and Raju, Archana and Khambete, Mihir P. and Ray, M. K. and Rajan, M. G. R. and Arkile, Manisha A. and Jadhav, Nandadeep J. and Sarkar, Dhiman and Degani, Mariam S.} } @article { ISI:000355859600015, title = {Design and synthesis of new fluconazole analogues}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {23}, year = {2015}, month = {MAY}, pages = {6551-6561}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We have synthesized new fluconazole analogues containing two different 1,2,3-triazole units in the side chain. The synthesis of new amide analogues using a variety of acids is also described. All the compounds showed very good antifungal activity. A hemolysis study of the most active compounds 6e and 13j showed that both compounds did not cause any hemolysis at the dilutions tested. These compounds did not exhibit any toxicity to L929 cells at MIC and lower concentrations. In the docking study, the overall binding mode of 6e and 13j appeared to be reasonable and provided a good insight into the structural basis of inhibition of Candida albicans Cyp51 by these compounds.

}, issn = {1477-0520}, doi = {10.1039/c5ob00590f}, author = {Pore, Vandana S. and Agalave, Sandip G. and Singh, Pratiksha and Shukla, Praveen K. and Kumar, Vikash and Siddiqi, Mohammad I.} } @article { ISI:000364803200005, title = {Design, synthesis, and identification of silicon incorporated oxazolidinone antibiotics with improved brain exposure}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1105-1110}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Therapeutic options for brain infections caused by pathogens with a reduced sensitivity to drugs are limited. Recent reports on the potential use of linezolid in treating brain infections prompted us to design novel compounds around this scaffold. Herein, we describe the design and synthesis of various oxazolidinone antibiotics with the incorporation of silicon. Our findings in preclinical species suggest that silicon incorporation is highly useful in improving brain exposures. Interestingly, three compounds from this series demonstrated up to a 30-fold higher brain/plasma ratio when compared to linezolid thereby indicating their therapeutic potential in brain associated disorders.

}, keywords = {Antibacterial, brain exposure, linezolid, oxazolidinone, sila analogue}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00213}, author = {Seetharamsingh, B. and Ramesh, Remya and Dange, Santoshkumar S. and Khairnar, Pankaj V. and Singhal, Smita and Upadhyay, Dilip and Veeraraghavan, Sridhar and Viswanadha, Srikant and Vakkalanka, Swaroop and Reddy, D. Srinivasa} } @article { ISI:000364906600041, title = {Detailed study on the thermal, photo-physical and electrochemical properties and OFET applications of D-pi-A-pi-D structured unsymmetrical diketopyrrolopyrrole materials}, journal = {RSC Advances}, volume = {5}, number = {115}, year = {2015}, month = {OCT}, pages = {94859-94865}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of seven unsymmetrical diketopyrrolopyrrole (DPP) derivatives with donor-pi-acceptor-pi-donor (D-pi-A-pi-D) architecture have been designed, synthesized and well characterised. The effect of the electron donating capacity and extent of electronic conjugation of the end-capping units on the thermal, photo-physical and electrochemical properties of the synthesized materials was thoroughly investigated using various experimental techniques and theoretical calculations. Organic field-effect transistors (OFETs) were fabricated using these materials to obtain their hole/electron transporting characteristics. All these materials showed moderate to good hole transporting ability, and the OFET fabricated using the DPP-derivative with benzofuran and pyrene end groups exhibited a hole mobility of 6.7 x 10(-4) cm(2) V-1 s(-1) with VT of similar to 9 V. The observed photo-physical, electrochemical, thermal, and charge carrier properties of the synthesized DPP-derivatives indicated their applicability in various areas like organic photovoltaics, disposable electronics and biomedical devices.

}, issn = {2046-2069}, doi = {10.1039/c5ra16653e}, author = {Bharath, D. and Chithiravel, Sundaresan and Sasikumar, M. and Chereddy, Narendra Reddy and Shanigaram, Balaiah and Bhanuprakash, K. and Krishnamoorthy, K. and Rao, V. Jayathirtha} } @article { ISI:000365930800010, title = {Development of newer adsorbents: activated carbons derived from carbonized cassia fistula}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, number = {47}, year = {2015}, month = {DEC}, pages = {11844-11857}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Development of newer adsorbent materials, especially from biomass, is most crucial to sustain growth of otherwise well established adsorption processes that already have hundreds of commercial adsorbents in practice. In the present study, newer adsorbents and their potential-carbonaceous adsorbents derived from the whole fruit of Cassia fistula (Golden shower) have been reported for applications in environmental pollution control using natural, renewable biomass as precursor. The potential of different forms of the derived adsorbents produced by thermal and chemical activation was examined for two representative cases, desulfurization of transportation fuels and wastewater treatment. The adsorbents were characterized by FTIR, XRD, XPS, and SEM techniques that indicate specific characteristics useful as an adsorbent. A successful application in the real industrial wastewater treatment and comparison with well recognized commercial adsorbents clearly highlights the utility of the developed newer adsorbents in separation science and technology.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b02945}, author = {Sorokhaibam, Laxmi Gayatri and Bhandari, Vinay M. and Salvi, Monal S. and Jain, Saijal and Hadawale, Snehal D. and Ranade, Vivek V.} } @article { ISI:000365410100025, title = {Deviation of polarity from linearity in liquid mixtures containing an ionic liquid}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {47}, year = {2015}, month = {NOV}, pages = {31613-31617}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The physico-chemical properties of liquid mixtures, in general, exhibit deviations from linear behaviour with respect to their composition, arising out of different types of cross-intermolecular interactions (both specific and non-specific). These specific and non-specific interactions can however be monitored to obtain the linear mixing in liquid mixtures using the pseudo-solvent methodology in such a manner that the interactions causing deviations from linearity are cancelled out and mixtures display linear behaviour.

}, issn = {1463-9076}, doi = {10.1039/c5cp05921f}, author = {Beniwal, Vijay and Shukla, Shashi K. and Kumar, Anil} } @article { ISI:000369744300004, title = {Differential dynamics of the serotonin(1A) receptor in membrane bilayers of varying cholesterol content revealed by all atom molecular dynamics simulation}, journal = {Molecular Membrane Biology}, volume = {32}, number = {4}, year = {2015}, month = {MAY}, pages = {127-137}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

The serotonin(1A) receptor belongs to the superfamily of G protein-coupled receptors (GPCRs) and is a potential drug target in neuropsychiatric disorders. The receptor has been shown to require membrane cholesterol for its organization, dynamics and function. Although recent work suggests a close interaction of cholesterol with the receptor, the structural integrity of the serotonin(1A) receptor in the presence of cholesterol has not been explored. In this work, we have carried out all atom molecular dynamics simulations, totaling to 3s, to analyze the effect of cholesterol on the structure and dynamics of the serotonin(1A) receptor. Our results show that the presence of physiologically relevant concentration of membrane cholesterol alters conformational dynamics of the serotonin(1A) receptor and, on an average lowers conformational fluctuations. Our results show that, in general, transmembrane helix VII is most affected by the absence of membrane cholesterol. These results are in overall agreement with experimental data showing enhancement of GPCR stability in the presence of membrane cholesterol. Our results constitute a molecular level understanding of GPCR-cholesterol interaction, and represent an important step in our overall understanding of GPCR function in health and disease.

}, keywords = {GPCR, Membrane cholesterol, molecular dynamics simulation, serotonin(1A) receptor}, issn = {0968-7688}, doi = {10.3109/09687688.2015.1096971}, author = {Patra, Swarna M. and Chakraborty, Sudip and Shahane, Ganesh and Prasanna, Xavier and Sengupta, Durba and Maiti, Prabal K. and Chattopadhyay, Amitabha} } @article { ISI:000360415500033, title = {Diffusion of small solute particles in viscous liquids: cage diffusion, a result of decoupling of solute-solvent dynamics, leads to amplification of solute diffusion}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {34}, year = {2015}, month = {AUG}, pages = {11169-11175}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We study the diffusion of small solute particles through solvent by keeping the solute solvent interaction repulsive and varying the solvent properties. The study involves computer simulations, development of a new model to describe diffusion of small solutes in a solvent, and also mode coupling theory (MCT) calculations. In a viscous solvent, a small solute diffuses via coupling to the solvent hydrodynamic modes and also through the transient cages formed by the solvent. The model developed can estimate the independent contributions from these two different channels of diffusion. Although the solute diffusion in all the systems shows an amplification, the degree of it increases with solvent viscosity. The model correctly predicts that when the solvent viscosity is high, the solute primarily diffuses by exploiting the solvent cages. In such a scenario the MCT diffusion performed for a static solvent provides a correct estimation of the cage diffusion.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b03034}, author = {Acharya, Sayantan and Nandi, Manoj K. and Mandal, Arkajit and Sarkar, Sucharita and Bhattacharyya, Sarika Maitra} } @article { ISI:000362438300008, title = {Dinuclear salen cobalt complex incorporating Y(OTf)(3): enhanced enantioselectivity in the hydrolytic kinetic resolution of epoxides}, journal = {RSC Advances}, volume = {5}, number = {101}, year = {2015}, month = {SEP}, pages = {82699-82703}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The activation of inactive Jacobsen{\textquoteright}s chiral salen Co(II) (salen = N,N{\textquoteright}-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine) compound is attained by dinuclear chiral salen Co(III)-OTf complex formation with yttrium triflate. The yttrium metal not only displays a promoting effect on electron transfer, but also assists in forming two stereocentres of a Lewis acid complex with Co(III)-OTf. We found that the binuclear Co-complex significantly enhanced reactivity and enantioselectivity in the hydrolytic kinetic resolution of terminal epoxides compared to its analogous monomer and kinetic data are also consistent with these results.

}, issn = {2046-2069}, doi = {10.1039/c5ra12408e}, author = {Patel, Deepak and Kurrey, Ganesh Ram and Shinde, Sandip S. and Kumar, Pradeep and Kim, Geon-Joong and Thakur, Santosh Singh} } @article { ISI:000347717000009, title = {Direct synthesis of secondary amines from alcohols and ammonia catalyzed by a ruthenium pincer complex}, journal = {Catalysis Letters}, volume = {145}, number = {1}, year = {2015}, month = {JAN}, pages = {139-144}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Efficient and selective direct synthesis of secondary amines from primary alcohols and ammonia with liberation of water has been achieved, with high turnover numbers and with no generation of waste. In case of benzylic alcohols, imines rather than amines are obtained. This atom economical, environmentally benign reaction is homogenously catalyzed by a well-defined bipyridine based Ru(II)-PNN pincer complex.

}, keywords = {Alcohol, Ammonia, Homogenous catalysis, Ru-pincer complex, Secondary amine}, issn = {1011-372X}, doi = {10.1007/s10562-014-1422-2}, author = {Balaraman, Ekambaram and Srimani, Dipankar and Diskin-Posner, Yael and Milstein, David} } @conference {42954, title = {Discovery of new chemical entities against diseases of national importance :an HTS approach}, booktitle = {National Science Day, At CSIR-NCL}, year = {2015}, month = {FEB}, address = {Combi Chem-Bio Resource Center, OCD, National Chemical Laboratory, Pune - 411 008}, author = {Nawale, Laxman and Sarkar, Dhiman} } @article { ISI:000357468200016, title = {Discovery of rimonabant and its potential analogues as anti-TB drug candidates}, journal = {Medicinal Chemistry Research}, volume = {24}, number = {7}, year = {2015}, month = {JUL}, pages = {2960-2971}, publisher = {SPRINGER BIRKHAUSER}, address = {233 SPRING STREET, 6TH FLOOR, NEW YORK, NY 10013 USA}, abstract = {

Rimonabant and its analogues have been synthesized in moderate to good yields using a simple synthetic route. All the newly synthesized compounds were subjected to in vitro screening against M. tuberculosis and M. smegmatis. The most potent analogue JMG-14 exhibits MIC value of 3.13 compared to 3.25 and 50 A mu g/ml for ethambutol and pyrazinamide, respectively. The molecular docking reveals that pyrazole ring, number and position of halogen atoms play a crucial role in deciding interactions with MTCYP-121. These findings open up a new avenue in the search of potent anti-TB drugs with rimonabant and its novel analogue JMG-14 as lead molecules.

}, keywords = {Diaryl pyrazoles, H37Rv, MTCYP-121, Mycobacterium tuberculosis, Rimonabant, tuberculosis}, issn = {1054-2523}, doi = {10.1007/s00044-015-1346-4}, author = {Gajbhiye, J. M. and More, Namita A. and Patil, Manoj D. and Ummanni, R. and Kotapalli, S. S. and Yogeeswari, P. and Sriram, D. and Masand, Vijay H.} } @article { ISI:000361601100191, title = {Dissecting leishmania infantum energy metabolism - a systems perspective}, journal = {Plos One}, volume = {10}, number = {9}, year = {2015}, month = {SEP}, pages = {Article Number: e0137976}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Leishmania infantum, causative agent of visceral leishmaniasis in humans, illustrates a complex lifecycle pertaining to two extreme environments, namely, the gut of the sandfly vector and human macrophages. Leishmania is capable of dynamically adapting and tactically switching between these critically hostile situations. The possible metabolic routes ventured by the parasite to achieve this exceptional adaptation to its varying environments are still poorly understood. In this study, we present an extensively reconstructed energy metabolism network of Leishmania infantum as an attempt to identify certain strategic metabolic routes preferred by the parasite to optimize its survival in such dynamic environments. The reconstructed network consists of 142 genes encoding for enzymes performing 237 reactions distributed across five distinct model compartments. We annotated the subcellular locations of different enzymes and their reactions on the basis of strong literature evidence and sequence-based detection of cellular localization signal within a protein sequence. To explore the diverse features of parasite metabolism the metabolic network was implemented and analyzed as a constraint-based model. Using a systems-based approach, we also put forth an extensive set of lethal reaction knockouts; some of which were validated using published data on Leishmania species. Performing a robustness analysis, the model was rigorously validated and tested for the secretion of overflow metabolites specific to Leishmania under varying extracellular oxygen uptake rate. Further, the fate of important non-essential amino acids in L. infantum metabolism was investigated. Stage-specific scenarios of L. infantum energy metabolism were incorporated in the model and key metabolic differences were outlined. Analysis of the model revealed the essentiality of glucose uptake, succinate fermentation, glutamate biosynthesis and an active TCA cycle as driving forces for parasite energy metabolism and its optimal growth. Finally, through our in silico knockout analysis, we could identify possible therapeutic targets that provide experimentally testable hypotheses.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0137976}, author = {Subramanian, Abhishek and Jhawar, Jitesh and Sarkar, Ram Rup} } @article { ISI:000353931000022, title = {Dissociation of equimolar mixtures of aqueous carboxylic acids in ionic liquids: role of specific interactions}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {17}, year = {2015}, month = {APR}, pages = {5537-5545}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Hammett acidity function observes the effect of protonation/deprotonation on the optical density/absorbance of spectrophotometric indicator. In this work, the Hammett acidity, H-0, of equirriolar mixtures of aqueous HCOQH, CH3COOH, and CH3CH2COOH was measured in 1-methylimidazolium-, 1-methylpyrrolidinium-, and 1-methylpiperidinium-based protic ionic liquids (PILs) and 1-buty1-3-methylimidazolium-based aprotic ionic liquid (AIL), with formate (HCOO-) anion. Higher H-0 values were observed for the equimolar mixtures of aqueous carboxylic acids in protic ionic liquids compared with those of the aprotic ionic liquid because of the involvement of the stronger specific interactions between the conjugate acid of ionic liquid and conjugate base of carboxylic acids as suggested by the hard soft acid base (HSAB) theory. The different Ho values for the equimolar mixtures of aqueous carboxylic acids in protic and aprotic ionic liquids were noted to depend on the activation energy of proton transfer (E-a,H(+)). The higher activation energy of proton transfer was obtained in AIL indicating lower ability to form specific interactions with solute than that of PILs. Thermodynamic parameters determined by the {\textquoteleft}{\textquoteleft}indicator overlapping method{\textquoteright}{\textquoteright} further confirmed the involvement of the secondary interactions in the dissociation of carboxylic acids. On the basis of the thermodynamic parameter values, the potential of different ionic liquids in the dissociation of carboxylic acids was observed to depend on the hydrogen bond donor acidity (alpha) and hydrogen bond acceptor basicity (beta), characteristics of specific interactions.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b00056}, author = {Shukla, Shashi Kant and Kumar, Anil} } @article { ISI:000368141200024, title = {Drug-drug molecular salt hydrate of an anticancer drug gefitinib and a loop diuretic drug furosemide: an alternative for multidrug treatment}, journal = {Journal of Pharmaceutical Sciences}, volume = {104}, number = {12}, year = {2015}, month = {DEC}, pages = {4207-4216}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A 1:1 monohydrate salt containing gefitinib, an orally administrated chemotherapy treatment for lung and breast cancers and furosemide, a loop diuretic drug, commonly used in the treatment of hypertension and edema, has been prepared. The molecular salt crystallized in triclinic P-1 space group. The CO bond lengths (similar to 1.26 angstrom) in the COOH group show that proton transfer has occurred from furosemide to morpholine moiety of the gefitinib suggesting cocrystal to be ionic. The morpholine moiety of the gefitinib showed significant conformational change because of its involvement in conformation dictating the strong N-H center dot center dot center dot O hydrogen bonding interaction. The strong hydrogen bonding interaction between gefitinib and furosemide places their benzene rings in stacking mode to facilitate the generation of pi-stack dimers. The neighboring dimers are bridged to each other via water molecule through N-H center dot center dot center dot O, C-H center dot center dot center dot O, O-H center dot center dot center dot N, and O-H center dot center dot center dot O interactions. The remarkable stability of the salt hydrate could be attributed to the strong hydrogen bonding interactions in the crystal structure. Interestingly, release of water from the lattice at 140 degrees C produced new anhydrous salt that has better solubility and dissolution rate than salt hydrate. The drug-drug molecular salt may have some bearing on the treatment of patient suffering from anticancer and hypertension. (C) 2015 Wiley Periodicals, Inc. and the American Pharmacists Association

}, keywords = {cancer chemotherapy, cocrystals, crystal engineering, crystal structure, dissolution rate, hydrate, phase transition, solubility, stability, thermal analysis}, issn = {0022-3549}, doi = {10.1002/jps.24651}, author = {Thorat, Shridhar H. and Sahu, Sanjay Kumar and Patwadkar, Manjusha V. and Badiger, Manohar V. and Gonnade, Rajesh G.} } @article { ISI:000365700200007, title = {Dynamics of gli regulation and a strategy to control cancerous situation: hedgehog signaling pathway revisited}, journal = {Journal of Biological Systems}, volume = {23}, number = {4}, year = {2015}, month = {DEC}, pages = {681-719}, publisher = {WORLD SCIENTIFIC PUBL CO PTE LTD}, address = {5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE}, abstract = {

The hedgehog signaling cascade generates highly diverse, fine-tuned responses in response to the external stimulus by the sonic hedgehog (SHH) protein. This is required for the flawless functioning of the cell, its development, survival and proliferation; maintained through production of Glioma protein (GLI) and transcriptional activation of its target genes. Any change in the behavior of GLI response by ectopic expression of SHH or mutations in the core pathway components may cause serious consequences in the cell fate through rapid, uncontrolled and elevated production of GLI. Here, we present a simple but extensive computational model that considers the detailed reaction mechanisms involved in the hedgehog signal transduction and provides a detailed insight into regulation of GLI. For the first time, by explicit involvement of suppressor of fused (SUFU) and Hedgehog interacting protein (HHIP) reaction kinetics in the model, we try to demonstrate the vital importance of HHIP and SUFU in maintaining the graded response of GLI in response to SHH. By performing parameter variations, we capture the conversion of a graded response of GLI to an ultrasensitive switch under SUFU-deficient conditions that might predispose abnormal embryonic development and the irreversible switching response of GLI that corresponds to signal-independent pathway activation observed in cancers.

}, keywords = {GLI Dynamics, Graded Response, Hedgehog Signaling Pathway, Ligand-Dependent and -Independent Pathway Activation, Ultrasensitive and Irreversible Switch}, issn = {0218-3390}, doi = {10.1142/S0218339015500333}, author = {Subramanian, Abhishek and Sarkar, Ram Rup} } @article { ISI:000354478700007, title = {Easy {\textquoteleft}filter-and-separate{\textquoteright} method for enantioselective separation and chiral sensing of substrates using a biomimetic homochiral polymer}, journal = {Chemical Communications}, volume = {51}, number = {43}, year = {2015}, month = {APR}, pages = {8931-8934}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We present a polyfluorene appended with protected L-glutamic acid that exhibited a reversible alpha-helix/beta-sheet-like conformation and helical porous fibrous morphology mimicking the super-structure of proteins. The new homochiral polymer probe enabled efficient heterogeneous enantioselective separation and chiral sensing of a wide variety of substrates from their aqueous racemic mixture using an easy {\textquoteleft}Filter-and-Separate{\textquoteright} method.

}, issn = {1359-7345}, doi = {10.1039/c5cc01532d}, author = {Senthilkumar, T. and Asha, S. K.} } @article { ISI:000355703700056, title = {Effect of alkali and alkaline earth metal ions on benzyl alcohol oxidation activity of titanate nanotube-supported Au catalysts}, journal = {RSC Advances}, volume = {5}, number = {59}, year = {2015}, month = {MAY}, pages = {47740-47748}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Sodium titanate nanotubes (NaTNTs) were prepared by alkali treatment of anatase titania. They were then ion-exchanged with alkali and alkaline earth metal ions to get ATNTs (A = Li+, K+, Cs+, Mg2+, Ca2+, Sr2+ and Ba2+). Gold (1-5 wt\%) was supported on these nanotubes by a deposition-precipitation method and investigated as a catalyst for the selective oxidation of benzyl alcohol with air/molecular oxygen (1 atm) under solvent-and alkali-free conditions. Detailed characterization by X-ray powder diffraction, high resolution transmission electron microscopy, N-2-physisorption, diffuse reflectance UV-visible spectroscopy, X-ray photoelectron spectroscopy and CO2-temperature-programmed desorption techniques revealed that the basicity of the catalyst influences the uptake, mean particle size, electronic properties and oxidation activity of the supported gold. Benzaldehyde formed with a selectivity of about 99\%. The catalytic activity (turnover frequency) was found to have a direct relationship with the basicity and an inverse relationship with the Au particle size. Among the catalysts investigated, Au/BaTNTs, having higher basicity, smaller Au particles and higher metal dispersion, showed enhanced catalytic activity than the other Au/ATNT catalysts. Pd addition to Au leading to Au-Pd/BaTNTs increased the activity (TOF) but lowered the selectivity for benzaldehyde (80 wt\%). Titanate nanotubes donate electron density to Au particles, yielding electron rich Au ions, which are responsible for activating molecular oxygen and oxidizing benzyl alcohol. Au/BaTNTs, having higher basicity and lower size Au nanoparticles than the other Au/ATNT, activates molecular oxygen more easily and thereby enhances the catalytic activity.

}, issn = {2046-2069}, doi = {10.1039/c5ra06496a}, author = {Nepak, Devadutta and Srinivas, Darbha} } @article {42994, title = {Effect of lipid bilayer composition on membrane protein association}, journal = {Advances in Planar Lipid Bilayers and Liposomes}, volume = {22}, year = {2015}, month = {JUL}, pages = {43{\textendash}63}, abstract = {

Diverse cellular functions are supported by membrane protein assemblies associated with the cell membrane. Although considered to be protein-mediated, membrane components are now being recognized as critical in modulating and sometime dictating function. This chapter discusses the effect of the lipid bilayer, in particular its composition on membrane protein organization. Computational methods have been successful in quantifying transmembrane protein association and general features of dimerization profiles are explored. Understanding the molecular basis of the interactions has lead to the recognition of the lipophobic effects. These nonspecific effects include those that arise from membrane perturbations and lipid chain packing and have been shown to modulate the energetics as well as the structural characteristics of membrane protein dimerization. In addition, specific interactions arising from direct protein{\textendash}lipid interactions and protein{\textendash}cholesterol interactions have been suggested to influence membrane protein association. We summarize here a few examples highlighting the role of the lipid bilayer on membrane protein organization.

}, doi = {10.1016/bs.adplan.2015.06.001}, author = {Pawar, Aiswarya B. and Prasanna, Xavier and Sengupta, Durba} } @article {43022, title = {Effect of nutritional factors on growth and L-asparaginase production by three thermophilic coprophilous fungi}, journal = {Current Research in Microbiology Biotechnology}, volume = {3}, year = {2015}, month = {AUG}, pages = {707-712}, abstract = {

The present study aimed to investigate the effect of nutritional factors on L-asparaginase production by three thermophilic caprophilous fungi (Thielavia terrestris, Malbranchea cinnamomea and Scytalidium thermophilum) was assessed in YES medium by substituting starch and L-asparagine so as to supply equal amount of carbon and nitrogen sources respectively. D-glucose, starch, maltose and mannitol were best source for growth and L-asparaginase production by all three thermophilic caprophilous fungi under investigation. Similarly L-asparagine, L-arginine, L-tyrosine and L-histidine were good nitrogen sources for both growth and L-asparaginase production. Production of the variance of the data showed the significant difference (P\<0.05) among the three thermophilic caprophilous fungi with regards to carbon and nitrogen source.

}, author = {Ajmeera, Shanthi Priya and Rao, Vankudoth Koteswara and Sreelatha, B. and Sivadevuni, Girisham and Reddy, Solipuram Madhusudhan} } @article { ISI:000345895200048, title = {Effect of Pd and Ce on the enhancement of ethanol vapor response of SnO2 thick films}, journal = {Sensors and Actuators B-Chemical}, volume = {207}, number = {A}, year = {2015}, month = {FEB}, pages = {383-390}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The undoped SnO2 and 4 wt\% Ce-doped SnO2 were successfully synthesized by a facile co-precipitation route. The ternary systems were prepared by Pd-loading (0.5, 1.5 and 3.0 wt\%) on the 4 wt\% Ce-doped SnO2 nanoparticles. The structure and morphology of the nanocrystalline powders were investigated by X-ray diffraction, scanning electron microscopy and transmission electron microscopy techniques. The nanocrystalline powders were screen printed on the alumina substrates to form thick films to investigate their gas response properties. The gas response studies reveal that 4 wt\% Ce-doped SnO2 with the loading of 3.0 wt\% Pd exhibits high response (88\%) towards ethanol (100 ppm) at an operating temperature of 250 degrees C with quick response (6 s) and rapid recovery (20 s). The high ethanol vapor response at lower operating temperature of this sensor is attributed to the spill-over mechanism of Pd particles present on the SnO2 surface and enhancement in alkalescence of SnO2 due to Ce-doping. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Ce-doped tin oxide, Gas sensor, Semiconductor, Thick film}, issn = {0925-4005}, doi = {10.1016/j.snb.2014.10.021}, author = {Bagal, L. K. and Patil, J. Y. and Vaishampayan, M. V. and Mulla, Imtiaz S. and Suryavanshi, S. S.} } @proceedings {43018, title = {Efficacy of food preservatives and volatile compounds in the control of ochratoxin a production by penicillium species}, volume = {85}, year = {2015}, month = {MAR}, abstract = {

In the present investigation different volatile compounds and food preservatives were tested for their efficiency in the control of growth and ochratoxin A (OTA) production by Penicillium verrucosum and Penicillium nordicum. Volatiles such as phenols and formic acid which have no residual effect were proved to be effective in checking the growth and OTA production by both the species of Penicillium under study. Vapours of phenols and formic acid significantly inhibited OTA produced by P. verrucosum, while aniline and toluene inhibited the OTA production by P. nordicum to a significant level. A positive correlation coefficient was observed between the growth and toxin production by P. verrucosum (0.55) and P. nordicum (0.66) against different volatile compounds tried. Among food preservatives, sodium acetate and sodium metabisulphate were responsible for total inhibition of OTA production by P. verrucosum at 150 lg/ml concentration. P. nordicum proved to be comparatively more resistant to these substances than P. verrucosum. In conclusion of present investigation, phenol, formic acid, amyl alcohol, propionic acid, sodium acetate and sodium metabisulphate were found to be effective in checking the growth and OTA production by both the species of Penicillium under investigation, and can be exploited in protecting the poultry feed from unwanted mould growth and mycotoxin production.

}, doi = {10.1007/s40011-015-0513-1}, author = {Vankudoth, Koteswara Rao and Rao, K. Narasimha and Sivadevuni, Girisham and Reddy, S. M.} } @conference {42950, title = {Efficacy study of potential anti-tubercular molecules: in-vitro and ex-vivo}, booktitle = {National Science Day}, year = {2015}, month = {FEB}, address = {National Chemical Laboratory, Pune 411008}, abstract = {

Tuberculosis: Infectious disease caused by the bacillus Mycobacterium tuberculosis Second leading infectious killer after HIV/AIDS In 2013, 8.6 million TB cases were reported out of which 1.3 million died Emergence of Multi-drug resistant TB (MDR-TB) and extremely drug resistant TB (XDR) for which no drugs are available. Latency being a cause of recurring TB infection is a major problem in eradication of TB

}, author = {Nawale, Laxman and Sarkar, Dhiman} } @article { ISI:000359134700008, title = {Efficient one pot regioselective synthesis of a 3,3 {\textquoteleft}-spiro-phosphonylpyrazole-oxindole framework via base mediated [1,3]-dipolar cycloaddition reaction of the Bestmann-Ohira reagent with methyleneindolinones}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {32}, year = {2015}, month = {JUL}, pages = {8669-8675}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A one pot, highly regioselective synthesis of racemic 3,3{\textquoteright}-spiro-phosphonylpyrazole-oxindole by 1,3-dipolar cycloaddition of an in situ generated anion of dialkyl 1-diazomethylphosphonate from the Bestmann-Ohira reagent (BOR) \& methyleneindolinones has been developed. The synthesis affords the highly functionalized pyrazole scaffolds in good yields with excellent regioselectivity under mild reaction conditions within a short reaction time.

}, issn = {1477-0520}, doi = {10.1039/c5ob01020a}, author = {Shelke, Anil M. and Suryavanshi, Gurunath} } @article { ISI:000363828500010, title = {Efficient organocatalytic route for asymmetric total synthesis of stagonolide F}, journal = {Tetrahedron Letters}, volume = {56}, number = {45}, year = {2015}, month = {NOV}, pages = {6207-6209}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A stereoselective total synthesis of Stagonolide F (98\% ee) is described employing asymmetric alpha-aminooxylation, Jorgensen{\textquoteright}s asymmetric epoxidation, Brown asymmetric allylation, Steglich esterification and ring closing metathesis as key steps. The use of organocatalytic alpha-aminooxylation and Jorgensen{\textquoteright}s asymmetric epoxidation of aldehydes for the introduction of chirality makes this approach more attractive. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {alpha-Aminooxylation, Jorgensens{\textquoteright}s asymmetric epoxidation, Macrolide, Ring-closing metathesis, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.09.082}, author = {Shelke, Anil M. and Suryavanshi, Gurunath} } @article { ISI:000346405200060, title = {Efficient robust fluorite CeZrO4-delta oxide catalyst for the eco-benign synthesis of styrene}, journal = {RSC Advances}, volume = {5}, number = {5}, year = {2015}, month = {DEC}, pages = {3619-3626}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this work, we have reported CeO2, ZrO2, physically mixed (PH)-CeO2/ZrO2 and fluorite CeZrO4-delta oxides and their catalytic activities for the oxidative dehydrogenation (ODH) of ethyl benzene (EB) to styrene (ST) using molecular oxygen, air and carbon dioxide as oxidants. The catalysts were prepared by a gel-combustion method followed by calcination at 600 degrees C for 6 h and subjected to catalytic activity measurements. All the catalysts were characterized and studied by various physicochemical methods. The reaction parameters were varied systematically such as different catalysts, oxidants, temperatures, EB flow and oxidant flow. CeZrO4-delta accounted for a 47\% styrene yield for 72 h without any significant deactivation under optimized reaction conditions. A thorough analysis of the spent catalysts demonstrated the robustness of the catalyst for this reaction under different oxidants and reaction conditions. Pristine CeO2 deactivated easily and the activity decreased with time on stream of the reaction.

}, issn = {2046-2069}, doi = {10.1039/c4ra12355g}, author = {Periyasamy, Kaliyappan and Aswathy, Venugopalan T. and Kumar, Venugopal Ashok and Manikandan, Marimuthu and Shukla, Rakesh and Tyagi, Avesh K. and Raja, Thirumalaiswamy} } @article { ISI:000357587500011, title = {Efficient shoots regeneration and genetic transformation of bacopa monniera}, journal = {Physiology and Molecular Biology of Plants}, volume = {21}, number = {2}, year = {2015}, month = {APR}, pages = {261-267}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Bacopa monniera is an important source of metabolites with pharmaceutical value. It has been regarded as a valuable medicinal plant and its entire commercial requirement is met from wild natural population. Recently, metabolic engineering has emerged as an important solution for sustained supply of assured and quality raw material for the production of active principles. Present report describes efficient in vitro multiplication and transformation method for geneticmanipulation of this species. MS medium supplemented with 2 mgl(-1) BA and 0.2 mgl(-1) IAA was found optimum for maximum shoot regeneration (98.33 \%) from in vitro leaves with 2-3 longitudinal cuts. Agrobacterium tumefaciens-mediated transformation method was used for generating transgenic B. monniera plants. Putative transformants were confirmed by GUS assay and PCR based confirmation of hptII gene. DNA blot analysis showed single copy insertion of transgene cassette. An average of 87.5 \% of the regenerated shoots were found PCR positive for hptII gene and GUS activity was detected in leaves of transgenic shoots at a frequency of 82.5 \% The efficient multiple shoots regeneration system described herein may help in mass production of B. monniera plant. Also, the high frequency transformation protocol described here can be used for genetic engineering of B. monniera for enhancement of its pharmaceutically important metabolites.

}, issn = {0971-5894}, doi = {10.1007/s12298-015-0290-6}, author = {Kumari, Uma and Vishwakarma, Rishi K. and Gupta, Neha and Ruby and Shirgurkar, M. V. and Khan, Bashir Mohammad} } @article { ISI:000362426800004, title = {Efficient sorption and photocatalytic degradation of malachite green dye onto NiS nanoparticles prepared using novel green approach}, journal = {Korean Journal of Chemical Engineering}, volume = {32}, number = {10}, year = {2015}, month = {OCT}, pages = {1986-1992}, publisher = {KOREAN INSTITUTE CHEMICAL ENGINEERS}, address = {F.5, 119, ANAM-RO, SEONGBUK-GU, SEOUL 136-075, SOUTH KOREA}, abstract = {

The extract of the Asparagus racemosus leaf tissue works as a stabilizing and capping agent and assists the formation of stable colloidal nanoparticles. Nanoparticles were characterized using UV-vis spectrophotometer, photoluminescence, TEM, EDAX and XRD, respectively. Transmission electron microscopy followed by selected area electron diffraction pattern analysis indicated the formation of near spherical, polydispersed, crystalline NiS of diameter ranging from 4-27 nm. X-ray diffraction studies showed the formation of 110, 101, 300, 021, 220, 221, 131, 410, 401, 321, 330 and 021 planes of hexagonal NiS. EDAX analysis confirmed the presence of Ni and S in nanosphere. The maximum sorption capacity (q (m) ) of NiS nanoparticles for MG dye was found to be 64.85 mg/g. Decolorization as well as disintegration of malachite green under white light illumination was confirmed by LC-MS studies. Results of the present study suggest that nanosized NiS can play an instrumental role in photocatalytic degradation of malachite green dye present in water bodies.

}, keywords = {Degradation, FTIR, Malachite Green, NiS Nanoparticles, TEM}, issn = {0256-1115}, doi = {10.1007/s11814-015-0041-y}, author = {Prasad, Kumar Suranjit and Prajapati, Sheel and Selvaraj, Kaliaperumal} } @article { ISI:000353831200020, title = {Electrochemical preparation of nitrogen-doped graphene quantum dots and their size-dependent electrocatalytic activity for oxygen reduction}, journal = {Bulletin of Materials Science}, volume = {38}, number = {2}, year = {2015}, month = {APR}, pages = {435-442}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Here we report a remarkable transformation of nitrogen-doped multiwalled carbon nanotubes (MWCNTs) to size selective nitrogen-doped graphene quantum dots (N-GQDs) by a two-step electrochemical method. The sizes of the N-GQDs strongly depend on the applied anodic potential, moreover increasing potential resulted in a smaller size of N-GQDs. These N-GQDs display many unusual size-dependant optoelectronic (blue emission) and electrocatalytic (oxygen reduction) properties. The presence of N dopants in the carbon framework not only causes faster unzipping of MWCNTs but also provides more low activation energy site for enhancing the electrocatalytic activity for technologically daunting reactions like oxygen reduction. The smaller size of N-GQDs has shown better performance as compared to the large N-GQDs. Interestingly, N-GQDs-3 (size = 2.5 +/- 0.3 nm, onset potential = 0.75 V) show a 30-mV higher positive onset potential shift compared to that of N-GQDs-2 (size = 4.7 +/- 0.3 nm, onset potential = 0.72 V) and 70 mV than that of N-GQDs-1 (size = 7.2 +/- 0.3, onset potential = 0.68 V) for oxygen reduction reaction (ORR) in a liquid phase. These result in the size-dependent electrocatalytic activity of N-GQDs for ORR as illustrated by the smaller sized N-GQDs (2.5 +/- 0.3 nm) undoubtedly promising metal-free electrocatalysts for fuel cell applications.

}, keywords = {fuel cells, MWCNTs, N-GQDs, oxygen reduction reaction, unzipping}, issn = {0250-4707}, doi = {10.1007/s12034-014-0834-3}, author = {Shinde, Dhanraj B. and Dhavale, Vishal M. and Kurungot, Sreekumar and Pillai, Vijayamohanan K.} } @article { ISI:000357868100006, title = {Electrochemically exfoliated black phosphorus nanosheets - prospective field emitters}, journal = {European Journal of Inorganic Chemistry}, number = {19}, year = {2015}, month = {JUL}, pages = {3102-3107}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Herein we report field emission (FE) investigations on an electrochemically exfoliated few-layered black phosphorus nanosheet emitter at a base pressure of approximately 1x10(-8) mbar. The turn-on electric field required to draw an emission current density of approximately 10 A/cm(2) is found to be about 4.2 V/m. Furthermore, few-layered black phosphorus nanosheet emitters deliver an emission current density of about 170 A/cm(2) at an applied field of about 7.5 V/m. The emission current vs. time plot measured at preset current values of about 5 A shows emission current fluctuations within +/- 10\% of the average value, indicating the highly stable nature of the black phosphorus field emitter. Thus, the 2D black phosphorus nanosheets synthesized using the simple electrochemical exfoliation method can be utilized for micro/nanoelectronics and flat panel FE display applications.

}, keywords = {field emission, Layered compounds, Nanostructures, Phosphorus}, issn = {1434-1948}, doi = {10.1002/ejic.201500145}, author = {Erande, Manisha B. and Suryawanshi, Sachin R. and More, Mahendra A. and Late, Dattatray J.} } @article { ISI:000354238700002, title = {Electron attachment to DNA and RNA nucleobases: an EOMCC investigation}, journal = {International Journal of Quantum Chemistry}, volume = {115}, number = {12}, year = {2015}, month = {JUN}, pages = {753-764}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

We report a benchmark theoretical investigation of both vertical and adiabatic electron affinities of DNA and RNA nucleobases: adenine, guanine, cytosine, thymine, and uracil using equation of motion coupled cluster method. The vertical electron affinity (VEA) values of the first five states of the DNA and RNA nucleobases are computed. It is observed that the first electron attached state is energetically accessible in gas phase. Furthermore, an analysis of the natural orbitals exhibits that the first electron attached states of uracil and thymine are valence-bound in nature and undergo significant structural changes on attachment of an extra electron, which reflects in the deviation of the adiabatic electron affinity (AEA) than that of the vertical ones. Conversely, the first electron attached states of cytosine, adenine, and guanine are in the category of dipole-bound anions. Their structure, by and large, remain unaffected on attachment of an extra electron, which is evident from the observed small difference between the AEA and VEA values. VEA and AEA values of all the DNA and RNA nucleobases are found to be negative, which implies that the first electron attached states are not stable rather quasi bound. The results of all previous theoretical calculations are out of track and shows large deviation with respect to the experimentally measured values, whereas, our results are found to be in good agreement. Therefore, our computed values can be used as a reliable standard to calibrate new theoretical methods. (c) 2015 Wiley Periodicals, Inc.

}, keywords = {DNA-RNA bases, electron affinity, EOMCC}, issn = {0020-7608}, doi = {10.1002/qua.24892}, author = {Dutta, Achintya Kumar and Sengupta, Turbasu and Vaval, Nayana and Pal, Sourav} } @article {45940, title = {Embedded multiple shooting methodology in a genetic algorithm framework for parameter estimation and state identification of complex systems}, journal = {Chemical Engineering Science}, volume = {134}, year = {2015}, month = {SEP }, pages = {605-618}, type = {Article}, abstract = {

A novel parameter estimation and state identification algorithm for nonlinear dynamical systems from data by embedding a multiple shooting methodology in the framework of a genetic algorithm (EMSGA) is described. The advantages of EMSGA are brought out by studies with two highly nonlinear examples, viz., the chaotic dynamics of a non-isothermal CSTR and the glycolysis regulation in Lactococcus lactis for production of lactic acid. For the chaotic dynamics with extremely high sensitivity to parameter values and initial conditions, EMSGA accurately estimates all process parameters while at the same time recovering the true dynamics of monitored and unmonitored variables from limited extents of noisy dynamic data. The superiority in accuracy and computational time of EMSGA over standalone genetic or multiple shooting algorithms for parameter estimation is shown for comparison purposes. In fact, EMSGA adapts well to the use of generalized canonical models, e.g., the S-system, where use of the fundamental Taylor series method of any order for integration becomes possible. This makes EMSGA highly efficient and exemplified here by estimating all the parameters of the derived higher dimensional 5-system model for the CSTR. Comparative studies with a well-known global-local enhanced scatter search method corroborate the suitability and advantages of the EMSGA methodology. For the glycolysis regulation example the numerical robustness of EMSGA is brought out by estimating a large number of model parameters when a majority of them are raised to the power of the state variables. Interestingly, we show that from noisy in vivo dynamic data it becomes possible to completely recover the noise-free dynamical behavior of unmonitored species concentrations using EMSGA. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Canonical models, Chaotic dynamics, Genetic algorithm, Multiple shooting, Noise reduction, parameter estimation}, issn = {0009-2509}, doi = {10.1016/j.ces.2015.05.040}, author = {Sarode, Ketan Dinkar and Kumar, V. Ravi and Kulkarni, B. D.} } @article { ISI:000358349700002, title = {Enantioselective cooperative catalysis}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {30}, year = {2015}, month = {JUN}, pages = {8116-8162}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In recent years, enantioselective cooperative catalytic reactions, wherein two catalysts work simultaneously to form products which cannot be obtained by the use of a single catalyst alone, have attracted considerable attention. This review focuses on this emerging field, with particular emphasis on mechanistic aspects, which will help readers to understand the role of each catalyst.

}, issn = {1477-0520}, doi = {10.1039/c5ob00986c}, author = {Inamdar, Suleman M. and Shinde, Valmik S. and Patil, Nitin T.} } @article {45880, title = {Enantioselective synthesis of functionalized pyrazoles by NHC-catalyzed reaction of pyrazolones with alpha,beta-unsaturated aldehydes}, journal = {Organic Letters}, volume = {17}, year = {2015}, month = {MAR}, pages = {1417-1420}, type = {Article}, abstract = {

The N-heterocyclic carbene (NHC)-organocatalyzed enantioselective annulation reaction of pyrazolones with alpha,beta-unsaturated aldehydes proceeding via the chiral alpha,beta-unsaturated acyl azolium intermediates under oxidative conditions is presented. The reaction afforded dihydropyranone-fused pyrazoles in moderate to good yields and good er values under operationally simple and base-free conditions.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00293}, author = {Yetra, Santhivardhana Reddy and Mondal, Santigopal and Suresh, Eringathodi and Biju, Akkattu T.} } @article { ISI:000355354100007, title = {Enantioselective synthesis of guggultetrol and D-ribo-phytosphingosine tetraacetate via L-proline catalyzed sequential alpha-aminooxylation/Horner-Wardsworth-Emmons olefination-Sharpless asymmetric dihydroxylation strategy}, journal = {Tetrahedron-Asymmetry}, volume = {26}, number = {10-11}, year = {2015}, month = {MAY}, pages = {571-576}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient enantioselective synthesis of two bioactive molecules, that is, guggultetrol and D-ribo-phytosphingosine, is described with high enantioselectivity (\>98\% ee) starting from commercially available 1-hexadecanol. The synthesis comprises organocatalyzed sequential alpha-aminooxylation of an aldehyde followed by Horner-Wardsworth-Emmons olefination and Sharp less asymmetric dihydroxylation as the key chiral inducing steps. For both syntheses, gamma-hydroxy-alpha,beta-unsaturated ester serves as the common intermediate obtained from proline catalysis. (C) 2015 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2015.04.004}, author = {Venkataramasubramanian, V. and Kumar, B. Senthil and Sudalai, Arumugam} } @article { ISI:000358099300015, title = {Enantioselective synthesis of (+)-hygroline and (+)-pseudohygroline via Keck allylation and CBS reduction}, journal = {Tetrahedron Letters}, volume = {56}, number = {32}, year = {2015}, month = {AUG}, pages = {4704-4705}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An enantioselective synthesis of (+)-hygroline and (+)-pseudohygroline has been achieved in high optical purity (98\% ee) from readily available 1,4-butanediol. The synthesis strategy employs a Keck allylation, CBS reduction, and Wacker oxidation. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {CBS reduction, Keck allylation, Pyrrolidines, Wacker oxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.06.012}, author = {Bhoite, Shubhangi P. and Kamble, Rohit B. and Suryavanshi, Gurunath M.} } @article { ISI:000354137000018, title = {Encapsulation of ultra small metal clusters in silica: evolution of the concept of nanoreactors and the case of Ag-Pd@SiO2 alloy catalyst}, journal = {Catalysis Today}, volume = {251}, year = {2015}, note = {7th Tokyo Conference on Advanced Catalytic Science and Technology (TOCAT), Kyoto, JAPAN, JUN 01-06, 2014}, month = {AUG}, pages = {114-120}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The concept of encapsulation of ultra small clusters within silica evolved as a means to address the sintering of active metal nanoparticles and subsequent deactivation observed in supported noble metal catalysts. It is hypothesised that sintering, which mainly occurs due to mobility of metal species on the support surfaces, can be minimised if the growth and movement of metal nanoparticles are constrained. First, nanoparticles are isolated inside 1D channels in 2D mesoporous compounds and the idea develops to complete encapsulation of thiol protected ultra small nanoclusters in silica spheres. Sintering is better controlled in the latter due to the confined space for growth of nanoparticles. Access of reactant molecules to the active metal surfaces also is ensured by porosity created in the silica matrix forming the basis of the concept of nanoreactors. In this paper, we elaborate on the evolution of this concept from our earlier work on highly sinter resistant silica encapsulated Au, Pd and Au-Pd alloys to the present system of Ag-Pd alloy encapsulated in silica. Silver, with the lowest Tammann temperature among noble metals, is highly prone to sintering which is adequately controlled by alloying with Pd as well as encapsulation in silica. Its enhanced activity in paranitrophenol reduction in comparison with pure metals indicates the advantageous effect of alloying. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Ag-Pd alloy, Encapsulation, Sinter resistant, Sintering, Ultra small nanoclusters}, issn = {0920-5861}, doi = {10.1016/j.cattod.2014.11.006}, author = {Mondal, Sourik and Samanta, Anupam and Dhar, Basab B. and Devi, R. Nandini} } @article { ISI:000362499200027, title = {Engineering proteins for thermostability with iRDP web server}, journal = {Plos One}, volume = {10}, number = {10}, year = {2015}, month = {OCT}, pages = {e0139486}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

Engineering protein molecules with desired structure and biological functions has been an elusive goal. Development of industrially viable proteins with improved properties such as stability, catalytic activity and altered specificity by modifying the structure of an existing protein has widely been targeted through rational protein engineering. Although a range of factors contributing to thermal stability have been identified and widely researched, the in silico implementation of these as strategies directed towards enhancement of protein stability has not yet been explored extensively. A wide range of structural analysis tools is currently available for in silico protein engineering. However these tools concentrate on only a limited number of factors or individual protein structures, resulting in cumbersome and time-consuming analysis. The iRDP web server presented here provides a unified platform comprising of iCAPS, iStability and iMutants modules. Each module addresses different facets of effective rational engineering of proteins aiming towards enhanced stability. While iCAPS aids in selection of target protein based on factors contributing to structural stability, iStability uniquely offers in silico implementation of known thermostabilization strategies in proteins for identification and stability prediction of potential stabilizing mutation sites. iMutants aims to assess mutants based on changes in local interaction network and degree of residue conservation at the mutation sites. Each module was validated using an extensively diverse dataset. The server is freely accessible at http://irdp.ncl.res.in and has no login requirements.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0139486}, author = {Panigrahi, Priyabrata and Sule, Manas and Ghanate, Avinash and Ramasamy, Sureshkumar and Suresh, C. G.} } @article {43037, title = {Enhanced carbon dioxide hydrate formation kinetics in a fixed bed reactor filled with metallic packing}, journal = {Chemical Engineering Science}, volume = {122}, year = {2015}, month = {JAN}, pages = {78-85}, doi = {10.1016/j.ces.2014.09.019}, author = {Kumar, Asheesh and Sakpal, Tushar and Linga, Praveen and Kumar, Rajnish} } @article { ISI:000354199900072, title = {Environmentally friendly route for grafting of molybdenum carbonyl onto a diaminosilane-modified SBA-15 molecular sieve and its catalytic behaviour in olefin epoxidation}, journal = {New Journal of Chemistry}, volume = {39}, number = {5}, year = {2015}, month = {FEB}, pages = {3758-3764}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple route has been established for grafting molybdenum carbonyl onto the surface of a diaminosilane-modified SBA-15 molecular sieve. The successful grafting of the molybdenum carbonyl species onto diamine-functionalized SBA-15 was evident from FT-IR studies. The resultant molybdenum-carbonyl-complex-grafted SBA-15 (SBA-DA-Mo) materials show promising activity for the epoxidation of various olefins with good conversion (90-95\%) and the formation of epoxide as the major product. The catalytic activity remains constant over several runs.

}, issn = {1144-0546}, doi = {10.1039/c4nj02402h}, author = {Baskaran, Thangaraj and Kumaravel, Raju and Christopher, Jayaraj and Ajithkumar, Thalasseril G. and Sakthivel, Ayyamperumal} } @article { ISI:000361120000056, title = {Evaluation of imidazolium-based ionic liquids towards vermicidal activity: in vitro \& in silico studies}, journal = {RSC Advances}, volume = {5}, number = {92}, year = {2015}, month = {AUG}, pages = {75415-75424}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of six different ionic liquids (ILs) of the kind 1-alkyl-3-methylimidazolium bromide/hydroxide (IL-Br and IL-OH) tailored with different N-alkyl side chains (ethyl, butyl, octyl) were synthesized and evaluated for their vermicidal activity against the Indian earthworm, Pheretima posthuma. The percentage of paralysis and mortality of earthworms against ILs were recorded in a dose dependent (at different concentrations 2, 4, 8 and 16 mM) and time dependent manner. The ILs with hydroxide as the counter anion (IL-OH) showed higher vermicidal activity compared to their bromide counterparts (IL-Br). Moreover, the ILs with the longest alkyl chain (octyl) were observed to have significant vermicidal activity compared to the rest (ethyl and butyl) as well as the standard drug, Albendazole. Furthermore, theoretical modeling was carried out to visualize the preferential docking positions of these ILs into the active site of beta-tubulin. Fascinatingly, it was found that the ILs with longest alkyl side chain showed remarkable vermicidal activity compared to the rest, and the molecular docking studies not only validated the experimental results, but also showed per-residue interaction analysis between the ILs and the different components of beta-tubulin.

}, issn = {2046-2069}, doi = {10.1039/c5ra13469b}, author = {Charan, K. T. Prabhu and Ranjan, Prabodh and Manojkumar, Kasina and Pothanagandhi, Nellepalli and Jha, Prakash C. and Khedkar, Vijay M. and Sivaramakrishna, Akella and Vijayakrishna, Kari} } @article { ISI:000361075900038, title = {Exiguobacterium enclense sp nov., isolated from sediment}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {5}, year = {2015}, month = {MAY}, pages = {1611-1616}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A Gram-stain-positive bacterium, designated strain NIO-1109(T), was isolated from a marine sediment sample from Chorao Island, Goa, India. Phenotypic and chemotaxonomic characteristics and data from phylogenetic analysis based on 16S rRNA gene sequences indicated that strain NIO-1109(T) was related to the genus Exiguobacterium. Strain NIO-1109(T) exhibited \>98.0\% 16S rRNA gene sequence similarity with respect to Exiguobacterium indicum HHS 31(T) (99.5\%) and Exiguobacterium acetylicum NCIMB 9889(T) (99.1 \%); the type strains of other species showed \<98\% similarity. Levels of DNA DNA relatedness between strain NIO-1109(T) and E. acetylicum DSM 20416(T) and E indicum LMG 23471(T) were less than 70\% (33.0 +/- 2.0 and 37 +/- 32\%, respectively). Strain NIO-1109(T) also differed from these two closely related species in a number of phenotypic traits. Based on phenotypic, chemotaxonomic and phylogenetic data, strain NIO-1109(T) is considered to represent a novel species of the genus Exiguobacterium, for which the name Exiguobacterium enclense sp. nov. is proposed. The type strain is NIO-1109(T) (=NCIM 5457(T)= DSM 25128(T)=CCTCC AB 2011124(T)).

}, issn = {1466-5026}, doi = {10.1099/ijs.0.000149}, author = {Dastager, Syed Gulam and Mawlankar, Rahul R. and Sonalkar, Vidya V. and Thorat, Meghana N. and Mual, Poonam and Verma, Ashish and Krishnamurthi, Srinivasan and Tang, Shan-Kun and Li, Wen-Jun} } @article { ISI:000352246100007, title = {Exploiting powder x-ray diffraction to establish the solvent-assisted solid-state supramolecular assembly of pillar[5]quinone}, journal = {Crystal Growth \& Design}, volume = {15}, number = {4}, year = {2015}, month = {APR}, pages = {1583-1587}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report the solvent-mediated supramolecular assembly of pillar[5]quinone (P[5]Q), a symmetric cyclamer containing five benzoquinone moieties bridged by five alternating methylene units. The supramolecular assembly of P[5]Q is shown to be facilitated by 1,1,2,2-tetrachloroethane (TCE) as solvent, producing a microcrystalline solvate material P[5]Q(.)2TCE with a fluffy texture. Optical and electron microscopy reveal that this material has a rod-shaped morphology, extending to several micrometers in length. Due to the microcrystalline nature of the material, structure determination was carried out directly from powder X-ray diffraction data, augmented by high-resolution solid-state C-13 NMR. The two crystallographically distinct TCE molecules occupy different types of void in the structure and have different dynamic properties. Crystallization of P[5]Q was attempted from a large number of different solvents, but only TCE was found to facilitate the formation of a crystalline phase. Indeed, features of the crystal structure suggest that the TCE component plays an important role in promoting the columnar assembly of P[5]Q molecules.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.5b00277}, author = {Shivakumar, Kilingaru I. and Yan, Yuncheng and Hughes, Colan E. and Apperley, David C. and Harris, Kenneth D. M. and Sanjayan, Gangadhar J.} } @article {43047, title = {Exploring the differences in metabolic behavior of astrocyte and glioblastoma: a flux balance analysis approach}, journal = {Systems and Synthetic Biology}, volume = {9}, year = {2015}, month = {DEC}, pages = {159-177}, doi = {10.1007/s11693-015-9183-9}, author = {Bhowmick, Rupa and Subramanian, Abhishek and Sarkar, Ram Rup} } @article { ISI:000354445900067, title = {Facile synthesis of Ag nanowire-rGO composites and their promising field emission performance}, journal = {RSC Advances}, volume = {5}, number = {52}, year = {2015}, month = {APR}, pages = {41887-41893}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Crystalline, ultra long silver nanowires (Ag NWs), few-layered rGO (reduced graphene oxide) and their rGO-Ag NW nanocomposite have been synthesized using a polyol reflux technique under optimized experimental conditions. The field emission performance of the rGO-Ag NW nanocomposite, rGO and Ag NW emitters was investigated. The turn on field required to draw an emission current density of similar to 1 mA cm(-2) was found to be similar to 5.00, 3.92 and 2.40 V mu m(-1) for the Ag NW, rGO and rGO-Ag NW nanocomposite emitters, respectively. The combined contribution of the sharp edges of the thin graphene sheets and high aspect ratio of the Ag nanowires, and their synergetic effect in the rGO-Ag NW nanocomposite, are responsible for the enhanced field emission behavior. First-principles density functional calculations show that the enhanced field emission may also be due to the overlapping of the electronic structures of the Ag NWs and rGO nanosheets.

}, issn = {2046-2069}, doi = {10.1039/c5ra00308c}, author = {Samantara, Aneeya K. and Mishra, Dillip Kumar and Suryawanshi, Sachin R. and More, Mahendra A. and Thapa, Ranjit and Late, Dattatray J. and Jena, Bikash Kumar and Rout, Chandra Sekhar} } @article { ISI:000364886500019, title = {Factors influencing catalytic activity of Co-Zn double-metal cyanide complexes for alternating polymerization of epoxides and CO2}, journal = {Applied Catalysis A-General}, volume = {506}, year = {2015}, month = {OCT}, pages = {163-172}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Co-Zn double-metal cyanides (DMCs) show good catalytic activity towards copolymerization of epoxides and CO2. A deep insight into the structural aspects of the catalysts that control their catalytic performance is addressed in this work. Method of preparation of DMC catalysts was found to have influence on their structure, which in turn dictated their catalytic activity. Complexing agent (t-BuOH) and density of strong acid sites of DMC catalysts were found critical factors responsible for their activity. Selectivity of DMC towards polycarbonates depends on the amount of alkali ion content in their composition. Induction period of the catalysts was governed by the strength of acid sites and by the presence of dispersed ZnCl2 in the composition. This study provides an understanding of the prime features of DMC catalysts that can be tuned for high productivity of polycarbonates. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {CO2 utilization, Copolymerization of epoxides and CO2, Double-metal cyanide, Polycarbonate}, issn = {0926-860X}, doi = {10.1016/j.apcata.2015.09.010}, author = {Sebastian, Joby and Srinivas, Darbha} } @article {43021, title = {Factors influencing L-asparaginase production by three thermophilic caprophilous fungi}, journal = {International Journal of Pharma Sciences}, volume = {5}, year = {2015}, month = {SEP}, pages = {1242-1248}, abstract = {

Influence of medium, pH and temperature on L-asparaginase production by Thielavia terrestris, Malbranchea cinnamomea and Scytalidium thermophilum in submerged fermentation process was investigated. Maximum Lasparaginase production was recorded in the glucose medium supplemented with 0.5\% L-asparagine monohydrate on 8th day of incubation. Czapek-dox medium was the next proffered medium for both biomass and L-asparaginase production by the fungi under investigation. Among different pH tried, pH 7.0 was optimum for L-asparaginase production, while enzyme production was marginal in medium with 6.0-8.0. Temperature of 45{\textdegree}C and 50{\textdegree}C were optimum for T. terrestris for growth of M. cinnamomea and S. thermophilum respectively. Maximum Lasparaginase activity of all three fungi was recorded at 45{\textdegree}C with varying extent was recorded. Analysis of variance of the data revealed significant differences (p-0.05) among the different culture media, pH and temperature on the production of L-asparaginase. A significant and positive correlation coefficient (R) was also observed between the growth and L-asparaginase activity of T. terrestris (0.570), M. cinnamomea (0.947) and S. thermophilum (0.948). Conclusion the culture medium and factors like pH, incubation temperature and incubation period play an important role in the L-asparaginase production by all the three thermophilic caprophilous fungi.

}, author = {Shanthipriya, A. and Rao, Vankudoth Koteswara and Sivadevuni, Girisham and Reddy, Solipuram Madhusudhan} } @article { ISI:000345901600070, title = {Fe(III) phytate metallogel as a prototype anhydrous, intermediate temperature proton conductor}, journal = {Chemical Science}, volume = {6}, number = {1}, year = {2015}, month = {OCT}, pages = {603-607}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A proton conducting metallogel [FNPA; ferric nitrate (FN)-phytic acid (PA)] is synthesized by immobilizing a protogenic ligand (phytic acid) using iron(III) nitrate in DMF. The xerogel shows high proton conductivity of 2.4 x 10(-2) S cm(-1) at 120 degrees C, the best value known among all metal organic materials (MOMs). Marking the first such attempt in MOMs, an electrode made using the xerogel showed a power density of 0.94 mW cm(-2) at 0.6 V under dry fuel cell conditions.

}, issn = {2041-6520}, doi = {10.1039/c4sc02294g}, author = {Aiyappa, Harshitha Barike and Saha, Subhadeep and Wadge, Pritish and Banerjee, Rahul and Kurungot, Sreekumar} } @article { ISI:000355354100003, title = {First enantioselective synthesis of (2S,3S)-3-hydroxy-L-arginine via proline catalyzed alpha-aminooxylation of aldehyde and Pd-catalyzed ether-directed aza-Claisen rearrangement}, journal = {Tetrahedron-Asymmetry}, volume = {26}, number = {10-11}, year = {2015}, month = {MAY}, pages = {548-552}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A concise enantioselective synthesis of (2S,3S)-3-hydroxy-L-arginine with an overall yield of 10.9\% and 98\% ee, starting from commercially available 1,4-butanediol in ten linear steps has been achieved. The key chiral inducing steps are D-proline catalyzed sequential alpha-aminooxylation/Horner-Wadsworth-Emmons olefination of an aldehyde and the subsequent diastereoselective MOM-ether-directed Pd-catalyzed aza-Claisen rearrangement of allylic trichloroacetimidate. (C) 2015 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2015.03.011}, author = {Ahuja, Brij Bhushan and Sudalai, Arumugam} } @article { ISI:000364968800017, title = {First enantioselective synthesis of surinamensinol B and a non-natural polysphorin analogue by a two-stereocentered hydrolytic kinetic resolution}, journal = {European Journal of Organic Chemistry}, volume = {33}, number = {33}, year = {2015}, month = {NOV}, pages = {7344-7351}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

An efficient and economical approach to the synthesis of antitumor and anti-inflammatory surinamensinol B (1) and antimalarial polysphorin analogue 2 has been achieved with high enantiomeric purity (96\% ee) by starting from commercially available 3,4,5-trimethoxybenzaldehyde. The key steps of the strategy include a Co-catalyzed two-stereocentered hydrolytic kinetic resolution (HKR) of racemic 2[( methoxymethoxy)(3,4,5-trimethoxyphenyl)methyl] oxirane (13) as the chiral inducing step followed by a Mitsunobu reaction. Chiral epoxide 14 and chiral diol 15 were utilized in the syntheses of both compounds.

}, keywords = {Biological activity, Enantioselectivity, Kinetic resolution, Natural products, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.201501009}, author = {Lalwani, Komal G. and Sudalai, Arumugam} } @article { ISI:000351969900008, title = {First naphthosemiquinone complex of K+ with vitamin K3 analog: experiment and density functional theory}, journal = {Journal of Molecular Structure}, volume = {1088}, year = {2015}, month = {MAY}, pages = {56-63}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Synthesis and characterization of potassium complex of 2-hydroxy-3-methyl-1,4-naphthoquinone (phthiocol), the vitamin K3 analog, has been carried out using FT-IR, UV-Vis, H-1 and C-13 NMR, EPR, cyclic voltammetry and single crystal X-ray diffraction experiments combined with the density functional theory. It has been observed that naphthosemiquinone binds to two K+ ions extending the polymeric chain through bridging oxygens O(2) and O(3). The crystal network possesses hydrogen bonding interactions from coordinated water molecules showing water channels along the c-axis. C-13 NMR spectra revealed that the complexation of phthiocol with potassium ion engenders deshielding of C(2) signals, which appear at delta = similar to 14.6 ppm whereas those of C(3) exhibit up-field signals near delta similar to 6.9 ppm. These inferences are supported by the M06-2x based density functional theory. Electrochemical experiments further suggest that reduction of naphthosemiquinone results in only a cathodic peak from catechol. A triplet state arising from interactions between neighboring phthiocol anion lead to a half field signal at g = 4.1 in the polycrystalline X-band EPR spectra at 133 K. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {C-13 NMR, DFT, hydrogen bonding, Naphthosemiquinone, Phthiocol, Vitamin K3}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2015.01.053}, author = {Kathawate, Laxmi and Gejji, Shridhar P. and Yeole, Sachin D. and Verma, Prakash L. and Puranik, Vedavati G. and Salunke-Gawali, Sunita} } @article { ISI:000359956500020, title = {First regioselective iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles}, journal = {Tetrahedron Letters}, volume = {56}, number = {36}, year = {2015}, month = {SEP}, pages = {5140-5144}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The regioselective iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles is described for the first time. The iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles using molecular iodine afforded diiodo-compound which on Cul-catalyzed intramolecular C-N coupling reaction gave six-membered 2-aryl-51141,2,4]triazolo[5,1-b][1,3]thiazines, whereas, the five membered 3-aryl-5,6-dihydrothiazolo[2,3-c][1,2,4]triazoles were obtained exclusively when the iodocyclization reaction of 3-aryl-5-(prop-2-ynylthio)-1H-1,2,4-triazoles was carried out using NIS. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Iodocyclization, Regloselective, Thiazine, Triazole}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.07.006}, author = {Rode, Navnath D. and Sonawane, Amol D. and Garud, Dinesh R. and Joshi, Rohini R. and Joshi, Ramesh A. and Likhite, Anjali P.} } @article { ISI:000365532000008, title = {Fluorescent probes for the detection of cyanide ions in aqueous medium: cellular uptake and assay for beta-glucosidase and hydroxynitrile lyase}, journal = {Journal of Materials Chemistry B}, volume = {3}, number = {47}, year = {2015}, month = {OCT}, pages = {9148-9156}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A chemodosimteric reagent (1) for the efficient detection of cyanide species (CN- and/or HCN) in aq. medium as well as under physiological conditions has been described. Selective reaction of the cyanide species with this reagent in the presence of all common interfering anions, amino acids and glutathione (GSH) led to the generation of the corresponding cyanohydrin derivative. The formation of the cyanohydrin derivative of the probe is associated with a visually detectable change in solution fluorescence in aq. buffer medium with 1.9 mu M NaCN, the threshold limit set by WHO for the safe drinking water and this makes this fluorogenic sensor an ideal candidate for in-field applications. An apparent switch on the luminescence response, ultralow detection limit, low response time, cell membrane permeability and insignificant toxicity are key features of a probe molecule, which gives it a distinct edge over previously reported chemodosimetric reagents for the detection of cyanide species (CN- or HCN) in an aqueous environment. This methodology could be used for developing a generalized and efficient fluorescence-based assay for crucial enzymes like beta-glucosidase and hydroxynitrile lyase. Furthermore, spectrally-resolved fluorescence microscopy measurements on single-cells revealed that this sensor molecule could also be used for imaging the cellular uptake of cyanide species from aq. solution contaminated with NaCN. Our results confirmed that statistical analysis of integrated intensity and transition energy obtained from the emission spectra collected over various microscopic sub-cellular regions can potentially be used to discriminate the effects of local cellular environments and that due to cyanide detection.

}, issn = {2050-750X}, doi = {10.1039/c5tb01853f}, author = {Agarwalla, Hridesh and Gangopadhyay, Monalisa and Sharma, Dharmendar Kumar and Basu, Santanu Kumar and Jadhav, Sameer and Chowdhury, Arindam and Das, Amitava} } @article { ISI:000350528300022, title = {Formal asymmetric synthesis of (2S,4R)-4-hydroxypipecolic acid via Co(III)(salen)-catalyzed two stereocentered HKR of racemic azido epoxide}, journal = {Tetrahedron Letters}, volume = {56}, number = {10}, year = {2015}, month = {MAR}, pages = {1263-1265}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient formal synthesis of (2S,4R)-4-hydroxypipecolic acid has been achieved in high optical purity (99\% ee) from readily available benzaldehyde. The strategy employs an iodine-induced intramolecular cyclization of a carbonate and Co-catalyzed Hydrolytic Kinetic Resolution (HKR) of two stereocentered racemic azido epoxide as the key reactions to construct chiral 1,3-amino alcohol functionality. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Azido epoxide, Hydrolytic kinetic resolution, lodocyclization, Piperidine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.01.113}, author = {Kamble, Rohit B. and Gadre, Shubhankar Haribhau and Suryavanshi, Gurunath M.} } @article { ISI:000350222400077, title = {From micron to nano-curcumin by sophorolipid co-processing: highly enhanced bioavailability, fluorescence, and anti-cancer efficacy (vol 4, pg 60334, 2014)}, journal = {RSC Advances}, volume = {5}, number = {28}, year = {2015}, month = {FEB}, pages = {22075}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {2046-2069}, doi = {10.1039/c5ra90018b}, author = {Singh, Pradeep Kumar and Wani, Kirtee and Kaul-Ghanekar, Ruchika and Prabhune, Asmita and Ogale, Satishchandra} } @article { ISI:000355247900001, title = {Functional characterization of novel sesquiterpene synthases from Indian sandalwood, santalum album}, journal = {Scientific Reports}, volume = {5}, year = {2015}, month = {MAY}, pages = {Article Number: 10095}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Indian Sandalwood, Santalum album L. is highly valued for its fragrant heartwood oil and is dominated by a blend of sesquiterpenes. Sesquiterpenes are formed through cyclization of farnesyl diphosphate (FPP), catalyzed by metal dependent terpene cyclases. This report describes the cloning and functional characterization of five genes, which encode two sesquisabinene synthases (SaSQS1, SaSQS2), bisabolene synthase (SaBS), santalene synthase (SaSS) and farnesyl diphosphate synthase (SaFDS) using the transcriptome sequencing of S. album. Using Illumina next generation sequencing, 33.32 million high quality raw reads were generated, which were assembled into 84,094 unigenes with an average length of 494.17 bp. Based on the transcriptome sequencing, five sesquiterpene synthases SaFDS, SaSQS1, SaSQS2, SaBS and SaSS involved in the biosynthesis of FPP, sesquisabinene, beta-bisabolene and santalenes, respectively, were cloned and functionally characterized. Novel sesquiterpene synthases (SaSQS1 and SaSQS2) were characterized as isoforms of sesquisabinene synthase with varying kinetic parameters and expression levels. Furthermore, the feasibility of microbial production of sesquisabinene from both the unigenes, SaSQS1 and SaSQS2 in non-optimized bacterial cell for the preparative scale production of sesquisabinene has been demonstrated. These results may pave the way for in vivo production of sandalwood sesquiterpenes in genetically tractable heterologous systems.

}, issn = {2045-2322}, doi = {10.1038/srep10095}, author = {Srivastava, Prabhakar Lal and Daramwar, Pankaj P. and Krithika, Ramakrishnan and Pandreka, Avinash and Shankar, S. Shiva and Thulasiram, Hirekodathakallu V.} } @article { ISI:000365930300028, title = {Furosemide cocrystals with pyridines: an interesting case of color cocrystal polymorphism}, journal = {Crystal Growth \& Design}, volume = {15}, number = {12}, year = {2015}, month = {DEC}, pages = {5858-5872}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Furosemide (FS), a loop diuretic drug commonly used for the treatment of hypertension and edema, exhibited color cocrystal polymorphism with coformer 4,4{\textquoteright}-bipyridine (4BPY) in the stoichiometry 2:1, albeit both the API and the cocrystal former are colorless. Crystallization from ethanol, isopropanol, ethanol-water (v/v, 1/1) mixture, and acetonitrile yielded pale yellow (form II, thin needles) and orange (form 1II, blocks) cocrystals concomitantly. Needles appeared from solution within a day, while the blocks were obtained after 1-2 days from the same flask, indicating that yellow needles were formed faster and the orange blocks were perhaps formed under thermodynamic conditions. Form 1I cocrystals could also be produced from the variety of common solvents. Cocrystallization of FS with 2,2{\textquoteright}-bipyridine (2BPY) and 4-aminopyridine (4AP) gave colorless cocrystals 2 and 3, respectively, and did not exhibit polymorphism. The single-crystal X-ray structures, powder X-ray diffraction, photophysical characterization, differential scanning calorimetry, hot stage microscopy studies, and density functional theory (DFT) calculations provide insight into the structure property relationship. The common structural features observed in all of the structures is the formation of sandwich motifs comprising FS and pyridines through pi-stacking interactions. These motifs are linked differently through hydrogen bonding interactions in all three directions. The significant color difference between the two cocrystals dimorphs could be attributed to the different pi-stacking patterns and hydrogen bonding interactions between molecules of FS and 4BPY in their cocrystal structures. Investigation on the origin of the color difference using DFT calculations revealed the decrease in HOMO-LUMO gap for form 1II cocrystals (orange) compared to form 1I crystals (light yellow). The crystal-to-crystal thermal transformation of form 1I crystals to form 1II crystals of 1 suggests the role of pi-stacking assemblies in driving the self-assembly.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.5b01240}, author = {Sangtani, Ekta and Sahu, Sanjay Kumar and Thorat, Shridhar H. and Gawade, Rupesh L. and Jha, Kunal K. and Munshi, Parthapratim and Gonnade, Rajesh G.} } @article { ISI:000363917000038, title = {Generic framework for crystallization processes using the population balance model and its applicability}, journal = {Industrial \& Engineering Chemistry Research}, volume = {54}, number = {42}, year = {2015}, month = {OCT}, pages = {10539-10548}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A generic modeling framework for batch cooling crystallization processes has been developed to understand the crystallization process from operational and modeling point of view. The generic framework for crystallization process modeling incorporates the characteristic dimensions of crystals and polymorphic transformation, as well as the hydrodynamic mixing effects in the crystallizer. This Polyhedral Polymorphic Multizonal Population Balance (PPMPBM) model considers bottom-up and top-down approaches for specific systems with specific targets. The PPMPBM framework allows switching between complex and simple models to study different crystallization systems with different scenarios and combination thereof. This framework uses gPROMS software (PSE, UK) and the Microsoft Excel front-end, along with the Polytope module in Matlab, to predict the crystal size and shape evolution as well as supersaturation profiles inside the crystallizer, which can be implemented for various crystallization systems.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b01421}, author = {Shaikh, Latif J. and Bari, Atul H. and Ranade, Vivek V. and Pandit, Aniruddha B.} } @article { ISI:000348265400007, title = {Genome-wide identification and structure-function studies of proteases and protease inhibitors in cicer arietinum (chickpea)}, journal = {Computers in Biology and Medicine}, volume = {56}, year = {2015}, month = {JAN}, pages = {67-81}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Background: Proteases are a family of enzymes present in almost all living organisms. In plants they are involved in many biological processes requiring stress response in situations such as water deficiency, pathogen attack, maintaining protein content of the cell, programmed cell death, senescence, reproduction and many more. Similarly, protease inhibitors (PIs) are involved in various important functions like suppression of invasion by pathogenic nematodes, inhibition of spores-germination and mycelium growth of Alternaria alternata and response to wounding and fungal attack. As much as we know, no genome-wide study of proteases together with proteinaceous PIs is reported in any of the sequenced genomes till now. Methods: Phylogenetic studies and domain analysis of proteases were carried out to understand the molecular evolution as well as gene and protein features. Structural analysis was carried out to explore the binding mode and affinity of PIs for cognate proteases and prolyl oligopeptidase protease with inhibitor ligand. Results: In the study reported here, a significant number of proteases and PIs were identified in chickpea genome. The gene expression profiles of proteases and Pis in five different plant tissues revealed a differential expression pattern in more than one plant tissue. Molecular dynamics studies revealed the formation of stable complex owing to increased number of protein-ligand and inter and intramolecular protein-protein hydrogen bonds. Discussion: The genome-wide identification, characterization, evolutionary understanding, gene expression, and structural analysis of proteases and Pis provide a framework for future analysis when defining their roles in stress response and developing a more stress tolerant variety of chickpea. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {Domain, Gene expression, Genome analysis, Homology modelling, Molecular docking, molecular dynamics simulation, Motif, Orthologs, Phylogeny}, issn = {0010-4825}, doi = {10.1016/j.compbiomed.2014.10.019}, author = {Sharma, Ranu and Suresh, C. G.} } @article { ISI:000354205600005, title = {Gold(I)-catalyzed hydroindolylation of allenyl ethers}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {19}, year = {2015}, month = {APR}, pages = {5358-5362}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The gold(I)-catalyzed reaction/rearrangement of allenyl ethers has been investigated in the presence of indoles. Either hydroindolylation or alkylation of an indole with the pendant group of allenyl ether has been observed. The reaction outcome seems to be decided mainly by the nature of the pendant group of the allenyl ether. Control experiments are indicative of an inner sphere mechanism for the hydroindolylation reaction.

}, issn = {1477-0520}, doi = {10.1039/c5ob00635j}, author = {Kona, Chandrababu Naidu and Shinde, Mahesh H. and Ramana, Chepuri V.} } @article {42859, title = {Gold(I)/chiral br{\o}nsted acid catalyzed enantioselective hydroamination-hydroarylation of alkynes: effect of remote hydroxyl group in the reactivity and enantioselectivity}, journal = {Chemistry - A European Journal}, volume = {21}, year = {2015}, month = {JAN}, pages = {975-979}, doi = {10.1002/chem.201405061}, author = {Shinde, Valmik S. and Mane, Manoj V. and Vanka, Kumar and Mallick, Arijit and Patil, Nitin T.} } @article {42919, title = {Graphene nanoribbons as prospective field emitter}, journal = {Applied Physics Letters}, volume = {106}, year = {2015}, month = {JAN}, pages = {Article Number: 023111}, abstract = {

Field emission characteristics of graphene nanoribbons (GNRs) synthesized by unzipping of multiwall carbon nanotubes using a facile hydrothermal route have been investigated at a base pressure of 1 x 10(-8) mbar. The values of turn-on field, required to draw an emission current densities of 1 and 10 mu A/cm(2), are found to be 2.8 and 5.8 V/mu m, respectively, and a maximum emission current density of 500 mu A/cm(2) has been drawn at an applied field of 9.8 V/mu m. The emission current stability of the GNRs emitter was studied at preset values of 1 and 10 mu A over a period of 3 h, and is found to be excellent. The field emission results demonstrated herein suggest that GNRs based field emitters can open up many opportunities for their potential utilization as large area field emitters in various vacuum micro-nanoelectronic devices such as flexible field emission displays, portable X-ray, and microwave tubes. (C) 2015 AIP Publishing LLC.

}, doi = {10.1063/1.4905473}, author = {Khare, Ruchita T. and Shinde, Dhanraj B. and Bansode, Sanjeewani and More, Mahendra A. and Majumder, Mainak and Pillai, Vijayamohanan K. and Late, Dattatray J.} } @article { ISI:000358512200094, title = {Green approach for the decoration of Pd nanoparticles on graphene nanosheets: an in situ process for the reduction of C-C double bonds and a reusable catalyst for the suzuki cross-coupling reaction}, journal = {New Journal of Chemistry}, volume = {39}, number = {8}, year = {2015}, month = {JUN}, pages = {6631-6641}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new strategy for in situ synthesis of palladium nanoparticles (Pd NPs) decorated on reduced graphene oxide (rGO) nanosheets with controlled size and shape is reported. This strategy was designed as three processes in one pot, namely, (a) reduction of graphene oxide, (b) formation of Pd NPs on the rGO nanosheets and (c) simultaneous reduction of olefin. In this synthesis process, a hydrogen atmosphere was used to develop the Pd NPs-rGO nanocatalyst, which is reusable and easily separable. The influence of the size and morphology of the Pd-rGO-H-2 catalyst on the catalytic activity in the Suzuki cross-coupling reaction was investigated by comparing with other catalysts, Pd-rGO-As and Pd-rGO-Gl, and they were synthesized by different reducing agents, ascorbic acid and glucose, respectively. The catalysts were characterized by electron microscopy (HRTEM, SEM), FT-IR, XRD and XPS. The Pd-rGO-H-2 catalyst was found to possess excellent catalytic activity and recyclability in the Suzuki cross-coupling reaction under mild reaction conditions.

}, issn = {1144-0546}, doi = {10.1039/c5nj01221j}, author = {Hussain, Najrul and Borah, Ashwini and Darabdhara, Gitashree and Gogoi, Pranjal and Azhagan, Muniraj Vedi Kuyil and Shelke, Manjusha V. and Das, Manash R.} } @article { ISI:000352343600011, title = {Green synthesis of silver nanoribbons from waste X-ray films using alkaline protease}, journal = {Materials Express}, volume = {5}, number = {2}, year = {2015}, month = {APR}, pages = {165-170}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

This work illustrates a facile approach to synthesize silver nanoribbons from waste X-ray films using alkaline protease from Beauveria sp. MTCC 5184 (BAP). The green synthesized nanoribbons have been characterized by UV-Vis spectroscopy, TEM, and FTIR. The UV-visible spectra gave maximum absorbance at 400 nm. TEM micrograph showed well-dispersed silver nanoribbons with an average length of 200-400 nm. FTIR result demonstrated the respective bands of the silver nanoribbons and proteins. XRD data revealed crystalline nature of silver nanoribbons dominated with (111) facets. In vitro antibacterial activity in terms of minimum inhibitory concentrations (MIC) and minimum bactericidal concentration (MBC) showed 8/16 mu g/mL (MIC/MBC) against Staphylococcus aureus ATCC 29213 and 4/8 mu g/mL (MIC/MBC) against Escherichia coli ATCC 25922. The green synthesized silver nanoribbons showed excellent biocompatibility up to 40 mu g/mL concentrations on mouse fibroblast cell line (L929).

}, keywords = {Alkaline Protease, Characterization, Cytotoxicity, Silver Nanoribbons, Waste X-ray Film}, issn = {2158-5849}, doi = {10.1166/mex.2015.1221}, author = {Shankar, Shiv and Prasad, R. G. S. V. and Selvakannan, P. R. and Jaiswal, Lily and Laxman, Ryali Seeta} } @article { ISI:000348937900068, title = {Green synthesis of stable Cu(0) nanoparticles onto reduced graphene oxide nanosheets: a reusable catalyst for the synthesis of symmetrical biaryls from arylboronic acids under base-free conditions}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {2}, year = {2015}, month = {NOV}, pages = {1251-1260}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Highly stable Cu(0) nanoparticles were synthesized on reduced graphene oxide (rGO) sheets using a cost-effective and green method. The synthesized Cu(0)-nanoparticle-rGO composites exhibit excellent catalytic activity for the synthesis of symmetrical biaryls from arylboronic acids under microwave irradiation. The reaction proceeds smoothly in base-free conditions with easy recovery and reuse of the catalyst. The methodology is compatible with various functional groups and provides an attractive protocol for the synthesis of symmetrical biaryls with very good yields. HRTEM, XPS and XRD analyses showed the catalyst to be recyclable. The Cu(0) nanoparticles are stable in the rGO nanosheets, and the particle size distribution and oxidation state of the Cu(0) nanoparticle remain the same after performing the chemical reaction.

}, issn = {2044-4753}, doi = {10.1039/c4cy01229a}, author = {Hussain, Najrul and Gogoi, Pranjal and Azhagan, Muniraj Vedi Kuyil and Shelke, Manjusha V. and Das, Manash R.} } @article { ISI:000350247300002, title = {High molecular weight polylactic acids by polyesterification using diisopropylcarbodiimide (DIPC) and 4-(dimethylamino) pyridinium ptoluene sulfonate (DPTS)}, journal = {Polymer Bulletin }, volume = {72}, number = {3}, year = {2015}, month = {MAR}, pages = {405-415}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

High molecular weight poly(l-lactic acid) has been prepared from the corresponding functionally terminated oligomers employing a polyesterification method at room temperature using diisopropylcarbodiimide and 4-(dimethylamino) pyridinium-p-toluene sulfonate. Self-condensation of hydroxyl and carboxylic acid-terminated poly(l-lactic acid) oligomers (M (n) : similar to 1,000) resulted in polymers with high molecular weights (M (n) \> 45,000) under mild conditions. End-group analysis by MALDI-TOF provided evidence for N-acylurea formation in the product under the reaction conditions employed.

}, issn = {0170-0839}, doi = {10.1007/s00289-014-1285-0}, author = {Shyamroy, S. and Garnaik, Baijayantimala and Sivaram, S.} } @conference {42974, title = {High throughput screening of inhibitors for tuberculosis at NCL : a novel drug discovery initiative from CSIR}, booktitle = {73rd CSIR Foundation Day, at CSIR-National Chemical Laboratory, Pune}, year = {2015}, month = {SEP}, publisher = {CSIR-National Chemical Laboratory, Pune}, organization = {CSIR-National Chemical Laboratory, Pune}, address = {CSIR-National Chemical Laboratory, Pune}, abstract = {

Discover and develop novel drugs that are effective at curing latent, drug sensitive and drug resistant TB Study the biology of tuberculosis bacilli in great detail to identify new metabolic pathways that may be vulnerable to drugs Test thousands of potential drugs in our screening facility to find new compounds or new compound classes that kill TB bacteria Increase throughput up to 20,000 compounds at a time Develop novel screens using conditions that mimic those the TB bacteria encounters in the human body Utilize medical chemistry to optimize the structures of compounds so that they kill TB bacteria in a more potent fashion and are non-toxic Meet the challenges from industry

}, author = {Manek, Hardik and Nawale, Laxman and Jadhav, Nandadeep J. and Sarkar, Dhiman} } @article { ISI:000352115600006, title = {Highly active and reusable ternary oxide catalyst for dialkyl carbonates synthesis}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {398}, year = {2015}, month = {MAR}, pages = {42-49}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The application of ternary oxides, prepared through calcination of rare-earth modified Mg/Al-hydrotalcite (HT), as highly active, selective, and reusable solid catalysts for dialkyl carbonates synthesis by transesterification reaction is reported. Dimethyl carbonate, for example, was prepared by reacting ethylene carbonate with methanol in 100 mol\% selectivity at a yield of 95 mol\%. Among several rare-earth modified precursors, La (10 mol\%)-HT showed the highest activity. This catalyst was active even at ambient conditions. Basicity of the catalyst played crucial role on its performance. The activity of these catalysts was superior to the hitherto known solid catalysts for this reaction. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Dialkyl carbonate, Dimethyl carbonate (DMC), Rare-earth modified hydrotalcite, Solid base catalyst, Ternary oxide, Transesterification of cyclic carbonate}, issn = {1381-1169}, doi = {10.1016/j.molcata.2014.11.022}, author = {Unnikrishnan, P. and Srinivas, D.} } @article { ISI:000355925900027, title = {Highly efficient regioselective synthesis of pyrroles via a tandem enamine formation-Michael addition-cyclization sequence under catalyst- and solvent-free conditions}, journal = {Green Chemistry}, volume = {17}, number = {6}, year = {2015}, month = {APR}, pages = {3415-3423}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A convenient catalyst-free, three-component procedure was developed for the synthesis of tetrasubstituted pyrroles under solvent-free conditions and in green solvents glycerol, PEG-200 and water. A sequential enamine-formation, Michael addition and intramolecular cyclization of primary amines, 1,3-dicarbonyl compounds and isatin-derived Michael acceptors afforded 3-(1H-pyrrol-3-yl)indolin-2-ones in excellent yields. In this simple one-pot transformation the requirement of column chromatography purification of the products was completely avoided. Besides, the method is highly environmentally benign and atom-economical, and the only side product of this reaction was two molecules of water. A comparative study for the four developed conditions showed that the solvent-free conditions were superior regardless of the nature of the starting materials, and the green solvents were effective for alkyl and benzylamines affording higher yields compared to arylamines. The preliminary in vitro cytotoxic studies of a representative compound against Ehrlich{\textquoteright}s ascites carcinoma (EAC) tumor cells showed significant activity with a CTC50 value of 15.64 mu M.

}, issn = {1463-9262}, doi = {10.1039/c5gc00365b}, author = {Vivekanand, Thavaraj and Vinoth, Perumal and Agieshkumar, B. and Sampath, Natarajan and Sudalai, Arumugam and Menendez, Carlos and Sridharan, Vellaisamy} } @article { ISI:000358237400020, title = {Highly efficient triphenyl(3-sulfopropyl)phosphonium functionalized phosphotungstic acid on silica as a solid acid catalyst for selective mono-allylation of acetals}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {8}, year = {2015}, month = {MAY}, pages = {4039-4047}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Silica supported phosphotungstic acid functionalized with triphenyl(3-sulfopropyl)phosphonium (PW-Si/TPSP) was developed as a solid acid catalyst for C-C bond formation via Hosomi-Sakurai allylation of acetals. Functionalization of PW as well as its binding to silica was confirmed by solid state P-31-NMR and Si-29-NMR, respectively. Among the various catalysts prepared, the 30\% PW loaded (30PW-Si/TPSP) catalyst gave an excellent yield of homoallyl ethers (HAEs) via selective mono-allylation of acetals with allyltrimethylsilane. A plausible reaction pathway has also been proposed in which the strong Bronsted acid sites of 30PW-Si/TPSP play an important role in activating the acetals to form the corresponding oxonium cations. The versatility of our catalyst was demonstrated for the allylation of a wide variety of acetals while its stability was established in five successful recycling runs.

}, issn = {2044-4753}, doi = {10.1039/c5cy00531k}, author = {Kamble, Sumit B. and Shinde, Suhas H. and Rode, Chandrashekhar V.} } @article { ISI:000363666000023, title = {Highly emissive organic solids with remarkably broad color tunability based on N,C-chelate, four-coordinate organoborons}, journal = {Chemical Communications}, volume = {51}, number = {89}, year = {2015}, month = {SEP}, pages = {16115-16118}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Molecular fluorophores based on N,C-chelate, four-coordinate organo-borons exhibit tunable solid-state emission colors that cover the whole visible region from blue to red. The emission color can be tuned through the substituents on either quinolines or the boron center.

}, issn = {1359-7345}, doi = {10.1039/c5cc06351e}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh S. and Thorat, Shridhar and Maity, Arunava and Kulkarni, Prasad P. and Gonnade, Rajesh G. and Munshi, Parthapratim and Patil, Nitin T.} } @article { ISI:000354578900029, title = {High-throughput simulations of dimer and trimer assembly of membrane proteins. the DAFT approach}, journal = {Journal of Chemical Theory and Computation}, volume = {11}, number = {5}, year = {2015}, month = {MAY}, pages = {2278-2291}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Interactions between membrane proteins are of great biological significance and are consequently an important target for pharmacological intervention. Unfortunately, it is still difficult to obtain detailed views on such interactions, both experimentally, where the environment hampers atomic resolution investigation, and computationally, where the time and length scales are problematic. Coarse grain simulations have alleviated the later issue, but the slow movement through the bilayer, coupled to the long life times of nonoptimal dimers, still stands in the way of characterizing binding distributions. In this work, we present DAFT, a Docking Assay For Transmembrane components, developed to identify preferred binding orientations. The method builds on a program developed recently for generating custom membranes, called insane (INSert membrANE). The key feature of DAFT is the setup of starting structures, for which optimal periodic boundary conditions are devised. The purpose of DAFT is to perform a large number of simulations with different components, starting from unbiased noninteracting initial states, such that the simulations evolve collectively, in a manner reflecting the underlying energy landscape of interaction. The implementation and characteristic features of DAFT are explained, and the efficacy and relaxation properties of the method are explored for oligomerization of glycophorin A dimers, polyleucine dimers and trimers, MS1 trimers, and rhodopsin dimers. The results suggest that, for simple helices, such as GpA and polyleucine, in POPC/DOPC membranes series of 500 simulations of 500 ns each allow characterization of the helix dimer orientations and allow comparing associating and nonassociating components. However, the results also demonstrate that short simulations may suffer significantly from nonconvergence of the ensemble and that using too few simulations may obscure or distort features of the interaction distribution. For trimers, simulation times exceeding several microseconds appear needed, due to the increased complexity. Similarly, characterization of larger proteins, such as rhodopsin, takes longer time scales due to the slower diffusion and the increased complexity of binding interfaces. DAFT and its auxiliary programs have been made available from http://cgmartini.nl/, together with a working example.

}, issn = {1549-9618}, doi = {10.1021/ct5010092}, author = {Wassenaar, Tsjerk A. and Pluhackova, Kristyna and Moussatova, Anastassiia and Sengupta, Durba and Marrink, Siewert-Jan and Tieleman, D. Peter and Boeckmann, Rainer A.} } @article { ISI:000353641800022, title = {Hydrogen production by the water-gas shift reaction using CuNi/Fe2O3 catalyst}, journal = {Catalysis Science \& Technology}, volume = {5}, number = {5}, year = {2015}, month = {FEB}, pages = {2752-2760}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Incorporation of both Cu and Ni together into the crystalline lattice of Fe2O3 results in a significant increase in the catalytic activity and also suppresses the methanation reaction in the high-temperature water-gas shift (HT-WGS) reaction. CuNi/Fe2O3 exhibited the highest CO conversion with negligible CH4 selectivity at the extremely high GHSV of 101 000 h(-1) (X-CO = 85\% at 400 degrees C). The high activity of CuNi/Fe2O3 catalyst is mainly due to the increase in the lattice strain and the decrease in the binding energy of lattice oxygen. In addition, X-ray photoelectron spectroscopy (XPS) results provide direct evidence for the formation of surface CuNi alloy, which plays a critical role in suppressing the methanation reaction. The detailed characterization by powder X-ray diffraction (XRD), XPS, BET, and H-2 temperature-programmed reduction (TPR) techniques was used to understand the role of dopants on host iron oxides in the enhancement of catalytic activity for HT-WGS reaction.

}, issn = {2044-4753}, doi = {10.1039/c5cy00173k}, author = {Jha, Ajay and Jeong, Dae-Woon and Shim, Jae-Oh and Jang, Won-Jun and Lee, Yeol-Lim and Rode, Chandrashekhar V. and Roh, Hyun-Seog} } @article { ISI:000363270000040, title = {Hydrothermal synthesis of WS2/RGO sheet and their application in UV photodetector}, journal = {Journal of Alloys and Compounds}, volume = {653}, year = {2015}, month = {DEC}, pages = {298-303}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Two-dimensional (2D) semiconductor nanomaterials hold great promises for future electronics and optics. In this paper, we report UV photocurrent response of 2D hybrid materials consisting of layered WS2 nanosheets and reduced graphene oxide prepared by using one step hydrothermal method. Few-layer WS2 and WS2/RGO nanosheets are characterized by Raman spectroscopy and HRTEM. The electric and optoelectronic properties of WS2 and WS2/RGO based UV photodetector shows a fast response of 48s and 85s and high photosensitivity (80 mu AW(-1) and 3.21 mAW(-1)) indicating that the two-dimensional composite nanostructure WS2/RGO is an important material for high performance photodetectors. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {nanosheets, UV photodetector, WS2, WS2/RGO}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2015.08.255}, author = {Shelke, Nitin T. and Karche, B. R.} } @article { ISI:000351551800013, title = {Hysteretic DC electrowetting by field-induced nano-structurations on polystyrene films}, journal = {Soft Matter}, volume = {11}, number = {13}, year = {2015}, month = {FEB}, pages = {2655-2664}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Electrowetting (EW) offers executive wetting control of conductive liquids on several polymer surfaces. We report a peculiar electrowetting response for aqueous drops on a polystyrene (PS) dielectric surface in the presence of silicone oil. After the first direct current (DC) voltage cycle, the droplet failed to regain Young{\textquoteright}s angle, yielding contact angle hysteresis, which is close to a value found in ambient air. We conjecture that the hysteretic EW response appears from in situ surface modification using electric field induced water-ion contact with PS surface inducing nano-structuration by electro-hydrodynamic (EHD) instability. Atomic force microscopy confirms the formation of nano-structuration on the electrowetted surface. The effects of molecular weight, applied electric field, water conductivity and pH on nano-structuration are studied. Finally, the EW based nano-structuration on PS surface is used for the enhanced loading of aqueous dyes on hydrophobic surfaces.

}, issn = {1744-683X}, doi = {10.1039/c5sm00007f}, author = {Sawane, Yogesh B. and Datar, Suwarna and Ogale, Satishchandra B. and Banpurkar, Arun G.} } @article {43046, title = {Identification of Th1/Th2 regulatory switch to promote healing response during Leishmaniasis: a computational approach}, journal = {EURASIP Journal on Bioinformatics and Systems Biology}, volume = {1}, year = {2015}, month = {DEC}, abstract = {

Leishmania devices its survival strategy by suppressing the host{\textquoteright}s immune functions. The antigen molecules produced by Leishmania interferes with the host{\textquoteright}s cell signaling cascades and consequently changes the protein expression pattern of the antigen-presenting cell (APC). This creates an environment suitable for the switching of the T-cell responses from a healing Th1 response to a non-healing Th2 response that is favorable for the continued survival of the parasite inside the host APC. Using a reconstructed signaling network of the intracellular and intercellular reactions between a Leishmania infected APC and T-cell, we propose a computational model to predict the inhibitory effect of the Leishmania infected APC on the T-cell and to identify the regulators of this Th1-/Th2-switching behavior as observed during Leishmania infection. In this work, we hypothesize that a complete removal of the parasite could only be achieved with a simultaneous up-regulation of the healing Th1 response and stimulation of nitric oxide (NO) production from the APCs, and downregulation of the non-healing Th2 response and thereby propose several unique combinations of protein molecules that could elicit this anti-Leishmania immune response. Our results indicate that TLR3 may play a positive role in eliciting NO synthesis, while TLR2 may be responsible for inhibiting an anti-Leishmania immune response. Also, TLR3 overexpression (in the APC), when combined with SHP2 inhibition (in the T cell), produces an anti-Leishmania response that is better than the conventional IFN-gamma or IL12 treatment. A similar anti-Leishmania response is also obtained in another combination where TLR3 (in APC) is overexpressed, and SHC and MKP (of T cell) are inhibited and activated, respectively. Through our study, we also observe that Leishmania infection may induce an upregulation of IFN-beta production from the APC that may lead to an upregulation of the RAP1 and SOCS3 proteins inside the T cell, the potential inhibitors of MAPK and JAK-STAT signaling pathways, respectively, via the TYK2-mediated pathway. This study not only enhances our knowledge in understanding the Th1/Th2 regulatory switch to promote healing response during leishmaniasis but also helps to identify novel combinations of proteins as potential immunomodulators. Electronic supplementary material The online version of this article (doi:10.1186/s13637-015-0032-7) contains supplementary material, which is available to authorized users.

}, doi = {10.1186/s13637-015-0032-7}, author = {Ganguli, Piyali and Choudhury, Saikat and Choudhury, Shomeek and Sarkar, Ram Rup} } @article { ISI:000358370700007, title = {Identifying solid luminogens through gold-catalysed intramolecular hydroarylation of alkynes}, journal = {European Journal of Organic Chemistry}, number = {22}, year = {2015}, month = {AUG}, pages = {4860-4867}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

The identification of a new class of luminogens based on pyrrolo-quinoxaline embedded coumarin (PQC) structures is reported. The reaction relies on the gold-catalyzed hydroarylation reaction of appropriately substituted aryl alkynoates that produces molecules that exhibit solvatochromism and aggregation-induced emission enhancement (AIEE) phenomena. The application of PQCs for live cell imaging has also been demonstrated.

}, keywords = {Cell imaging, Dyes/pigments, fluorescence, Gold, Luminescence, Solvatochromism}, issn = {1434-193X}, doi = {10.1002/ejoc.201500503}, author = {Shaikh, Aslam C. and Shalini, S. and Vaidhyanathan, Ramanathan and Mane, Manoj V. and Barui, Ayan Kumar and Patra, Chitta Ranjan and Venkatesh, Yeduru and Bangal, Prakriti Ranjan and Patil, Nitin T.} } @article { ISI:000352195500001, title = {Implementation of the Z-vector method in the relativistic-coupled-cluster framework to calculate first-order energy derivatives: Application to the SrF molecule}, journal = {Physical Review A}, volume = {91}, number = {3}, year = {2015}, month = {MAR}, pages = {030503}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

The molecular dipole moment and magnetic hyperfine-structure constant demand an accurate wave function far from the nucleus and in the near nuclear region, respectively. We, therefore, employ the so-called Z-vector method in the domain of relativistic-coupled-cluster theory to calculate the first-order property of molecular systems in their open-shell ground-state configuration. The implemented method is applied to calculate the molecular dipole moment and parallel component of the magnetic hyperfine-structure constant of the SrF molecule. The results of our calculation are compared with the experimental and other available theoretically calculated values. We are successful in achieving good accordance with the experimental results. The result of our calculation of the molecular dipole moment is in the accuracy of similar to 0.5\%, which is clearly an improvement over the previous calculation based on the expectation value method in the four-component coupled-cluster framework [V. S. Prasannaa et al., Phys. Rev. A 90, 052507 (2014)]. Thus, it can be inferred that the Z-vector method can provide an accurate wave function in both the near and far nuclear region, which is evident from our calculated results.

}, issn = {2469-9926}, doi = {10.1103/PhysRevA.91.030503}, author = {Sasmal, Sudip and Pathak, Himadri and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {43025, title = {Influence of carbon and nitrogen source on growth, DON and NIV production by two species of fusarium isolated from finger millets}, journal = {International Journal of Pharmacy and Pharmaceutical Sciences}, volume = {7}, year = {2015}, month = {MAR}, pages = {136-139}, abstract = {

Objective: Influence of different carbon [C] and nitrogen [N] source on the growth and Deoxynivalenol [DON] and Nivalenol [NIV] production by Fusarium aethiopicum and Fusarium culmorum was investigated. Methods: Seven days old monosporic cultures of F. aethiopicum strain GSKUMB [KJ21085] and F. culmorum strain GSKUMB [KJ190159] were grown in CYA broth and incubated at 27{\textpm}2{\textdegree}C on the rotary shaker at 120 rpm for 21 days. At the end of incubation period, cultures were harvested for determination of fungal growth (biomass). The resultant culture filtrates were extracted twice with ethyl acetate and concentrated. One ml of final concentrate in methanol was employed for detection of DON and NIV with the help of RP-HPLC. Results: The highest amount of DON and NIV were produced by F. aethiopicum in the presence of D-mannose and D-galactose as C source, while the highest amount of biomass was recorded on maltose and succinic acid. F. culmorum produced maximum amount of toxins in the presence of D-glucose, D-mannitol and D-fructose. Sodium nitrate was most favorable nitrogen source as it induced maximum amount of toxins by F. aethiopicum, while L-methionine, L-asparatic acid and L-tryptophan were next preferred N source. In contrast, highest biomass of fungus was obtained with L-lysine, L-glutamine and L-tyrosine. F. culmorum produced maximum amount of toxin and biomass with potassium nitrate and L-tyrosine respectively. Conclusion: Present species of Fusarium differed varied both in toxins (DON, and NIV) and biomass production. Their response of fungi under investigation towards C and N sources is also varied.

}, author = {Penugonda, Shilpa and Rao, Vankudoth Koteswara and Rao, K. Narasimha and Sivadevuni, Girisham and Reddy, Solipuram Madhusudhan} } @article { ISI:000354472900015, title = {Influence of cultivar, ripeness, blanching, drying, irradiation, and pectin recovery on alk(en)ylresorcinols in mango peels}, journal = {European Food Research and Technology}, volume = {240}, number = {6}, year = {2015}, month = {JUN}, pages = {1235-1245}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The influence of different technological treatments on alk(en)ylresorcinol (AR) contents and pattern in mango peels was evaluated using peels from six different mango cultivars. AR concentrations were shown to highly depend on the cultivar. While high AR concentrations were observed in the analyzed monoembryonic cultivars, AR contents in the polyembryonic cultivar Nam Dokmai were significantly lower. Furthermore, for monoembryonic cultivars, AR levels in the peels of ripe fruits were found to be higher than in unripe ones, while AR levels in cv. Nam Dokmai were independent of the ripeness degree. Convective oven drying resulted in a significant reduction in AR contents when compared to lyophilization. Blanching prior to drying diminished AR yields, thus being unsuitable for satisfactory AR recovery. Gamma irradiation did not significantly affect the AR contents. Since depectinization of mango peels significantly concentrated AR amounts in the depectinized pomace, the consecutive extraction of pectin and ARs allows the dual valorization of mango peels. Considering the treatments investigated, the retention of ARs carrying saturated and unsaturated side chains did not differ under acidic conditions, heating, and irradiation, respectively. Consequently, the 1,3-dihydroxybenzene structure was concluded to be the most labile moiety of the AR molecule.

}, keywords = {Alkylresorcinol, By-products, Monoembryonic, Polyembryonic, Pomace, Ultrasound}, issn = {1438-2377}, doi = {10.1007/s00217-015-2426-x}, author = {Geerkens, Christian Hubert and Miller-Rostek, Petra and Matejka, Anna Elisabeth and Nene, Sanjay and Kammerer, Dietmar Rolf and Carle, Reinhold and Schweiggert, Ralf Martin} } @article {43023, title = {Influence of different fusarium species on seed germination and seedlings growth of finger millet (Eleusine coracana L.)}, journal = {Indian Journal of Biotechnology}, volume = {11}, year = {2015}, month = {MAR}, pages = {81-89}, abstract = {

Effect of agriculturally important Fusariumspecies on the seed germination and seedling growth of finger millet (Eleusine coracana L.) was investigated. Species of Fusarium caused significant seed germination inhibition and seedling growth which varied with the species and age of the culture. Culture filtrates of F. moniliforme, F. proliferatum, F. chlamydosporum, F. aethiopicum, F. heterosporum and F. sporotrichoides were comparatively more toxic. The correlation coefficients between polished and unpolished variety of fingermillet seed germination inhibition (0.574, P=0.005), shoot elongation inhibition (0.893, P=0.0000) and root elongation inhibition (0.175, P=0.1770) with culture filtrates of different species of Fusarium was recorded. Pathogenicity studies revealed that F. roseum, F.sporotrichoides, F. proliferatum and F.oxysporum caused seedrot and seedling death. The maximumroot elongation inhibition (52.20\%), mean (36.39\%) andminimum(14.73\%)were recorded toward the toxicity of different species of Fusarium. Significant and positive correlation (0.802, P=0.0026) between the root and shoot, (0.393, P=0.130) between shoot and leaf, (0.121, P=0.369) between root and leaf elongation inhibition of finger millet could be observed. The culture filtrates ofmajormycotoxigenic strains of Fusariumrevealed production of Zearalenone (ZEA), T2 toxin, nivalenol (NIV), Deoxynivalenol (DON) and Deoxyscripenol (DAS). Toxicity of Fusarium species to its seed germination and seedling growth may be attributed to their secondary metabolites including mycotoxins.

}, author = {Penugonda, Shilpa and Rao, Vankudoth Koteswara and Sivadevuni, Girisham and Reddy, Solipuram Madhusudhan} } @article { ISI:000357869100005, title = {Influence of low-dosage hydrate inhibitors on methane clathrate hydrate formation and dissociation kinetics}, journal = {Energy Technology}, volume = {3}, number = {7, SI}, year = {2015}, month = {JUL}, pages = {717-725}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

This work investigates the effect of low-dosage hydrate inhibitors (LDHIs) on methane hydrate formation and dissociation. The hydrate inhibitors used in this study were the sodium salt of polyacrylic acid, a polysaccharide chitosan, and the linear sulfated polysaccharide i-carrageenan; the inhibiting behavior of these additives were compared with that of the commonly used hydrate inhibitor polyvinylpyrrolidone for methane hydrate formation. A LDHI concentration of 1wt\% was found to increase the induction time relative to that at a LDHI concentration of 0.1wt\%. Chitosan was found to be better than the others in reducing nucleation and the growth rate of the hydrate at a concentration of 1wt\%. At a lower concentration of 0.1wt\%, nucleation inhibition was minimal, however, growth inhibition was significant. The effect of these inhibitors on the decomposition rate of the hydrate was also studied, and the decomposition kinetics at a constant driving force in excess of three-phase equilibrium is reported.

}, keywords = {gas uptake, hydrates, inhibitors, kinetics, thermal stimulation}, issn = {2194-4288}, doi = {10.1002/ente.201500004}, author = {Kumar, Asheesh and Sakpal, Tushar and Kumar, Rajnish} } @article {43024, title = {Inhibitory effect of essential oils on growth and ochratoxin a production by penicillium species}, journal = {Research Journal of Microbiology}, volume = {10}, year = {2015}, month = {JUN}, pages = {1-8}, abstract = {

The screening of essential oil of brassica (Brassica oleracea), castor (Ricinus communis), coconut (Cocos nucifera), eucalyptus (Eucalyptus globulus), groundnut (Arachis hypogaea), neem (Azadirachta indica), palmolive (Elaeis guineensis) and sunflower (Helianthus annuus) for their efficacy against growth and OTA production by P. verrucosum and P. nordicum was performed. Neem and eucalyptus oil were most effective inhibitors of biomass and OTA production by both the species of Penicillium under investigation. P. nordicum was totally inhibited at 15 {\textmu}L mLG1 concentration of neem and eucalyptus oil, while P. verrucosum was inhibited only to the extent of 77.52-92.49\%. Sunflower and palmolive oils were next in their toxicity against the growth and OTA production by both the species of Penicillium under investigation. Essential oil of brassica, castor, coconut and groundnut varied in their degree of inhibition against P. verrucosum and P. nordicum. A positive correlation coefficient (R) was observed between the inhibitory effect of essential oils on growth (0.8933) and OTA production (0.9242). In conclusion, neem and eucalyptus oils proved to be potential bio-control agents and help to prevent the infestation of stored foods and feeds by 2 species of Penicillium and elaboration of OTA

}, doi = {10.3923/jm.2015.222.229}, author = {Rao, Vankudoth Koteswara and Sivadevuni, Girisham and Reddy, Solipuram Madhusudhan} } @article { ISI:000353901700002, title = {Insect trehalase: physiological significance and potential applications}, journal = {Glycobiology}, volume = {25}, number = {4}, year = {2015}, month = {APR}, pages = {357-367}, publisher = {OXFORD UNIV PRESS INC}, address = {JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA}, abstract = {

Trehalose, a non-reducing disaccharide, is widespread throughout the biological world. It is the major blood sugar in insects playing a crucial role as an instant source of energy and in dealing with abiotic stresses. The hydrolysis of trehalose is under the enzymatic control of trehalase. The enzyme trehalase is gaining interest in insect physiology as it regulates energy metabolism and glucose generation via trehalose catabolism. The two forms of insect trehalase namely, Tre-1 and Tre-2, are important in energy supply, growth, metamorphosis, stress recovery, chitin synthesis and insect flight. Insect trehalase has not been reviewed in depth and the information available is quite scattered. The present mini review discusses our recent understanding of the regulation, mechanism and biochemical characterization of insect trehalase with respect to its physiological role in vital life functions. We also highlight the molecular and biochemical properties of insect trehalase that makes it amenable to competitive inhibition by most glycosidase inhibitors. Due to its crucial role in carbon metabolism in insects, application of inhibitors against trehalose can form a promising area towards formulating strategies for insect pest control.

}, keywords = {carbohydrate metabolism, glycosidase inhibitor, glycoside hydrolase, trehalase, trehalose}, issn = {0959-6658}, doi = {10.1093/glycob/cwu125}, author = {Shukla, Ekta and Thorat, Leena J. and Nath, Bimalendu B. and Gaikwad, Sushama M.} } @article { ISI:000361190200026, title = {Intramolecular cyclization of carbonate and thiocarbonate derivatives of myo-inositol in the solid state: implications for acyl group transfer reactions in molecular crystals}, journal = {Chemistry-A European Journal}, volume = {21}, number = {39}, year = {2015}, month = {SEP}, pages = {13676-13682}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Racemic 4-O-phenoxycarbonyl and 4-O-phenoxythiocarbonyl derivatives of myo-inositol orthoformate undergo thermal intramolecular cyclization in the solid state to yield the corresponding 4,6-bridged carbonates and thiocarbonates, respectively. The thermal cyclization also occurs in the solution and molten states, but less efficiently, suggesting that these cyclization reactions are aided by molecular pre-organization, although not strictly topochemically controlled. Crystal structures of two carbonates and a thiocarbonate clearly revealed that the relative orientation of the electrophile and the nucleophile in the crystal lattice facilitates the intramolecular cyclization reaction and forbids the intermolecular reaction. The correlation observed between the chemical reactivity and the non-covalent interactions in the crystal of the reactants provides a way to estimate the chemical stability of analogous molecules in the solid state.

}, keywords = {crystal engineering, cyclitols, inositols, nucleophilic substitution, solid-phase synthesis}, issn = {0947-6539}, doi = {10.1002/chem.201501480}, author = {Tamboli, Majid I. and Shashidhar, Mysore S. and Gonnade, Rajesh G. and Krishnaswamy, Shobhana} } @article { ISI:000358620100066, title = {Intrinsic therapeutic and biocatalytic roles of ionic liquid mediated self-assembled platinum-phytase nanospheres}, journal = {RSC Advances}, volume = {5}, number = {77}, year = {2015}, month = {JUL}, pages = {62871-62881}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We herein report the inherent antitumor efficiency of self-assembled phytase enzyme nanospheres and enhance their efficiency by decorating with platinum nanoparticles and with the anticancer drug curcumin. Firstly, controlled self-assembly of phytase enzyme in an Ionic Liquid 1-butyl-3-methylimidazolium tetrafluoroborate [Bmim][BF4], led to the formation of therapeutically active phytase nanospheres. These nanospheres were further decorated with platinum nanoparticles by adding the platinum ions to these spheres and the nanoparticles formation was mediated by the specific interaction between the histidine residue (in active site of phytase enzymes) and the platinum ions and subsequent reduction of the ions into nanoparticles. The enzyme spheres act as a functional soft template for the as-formed platinum nanoparticles. These Platinum decorated hybrid biomacromolecular phytase nanospheres were loaded with the anticancer drug curcumin and all the different kinds of nanospheres were subjected to in vitro cytotoxicity for their anticancer effect on three different kinds of cancer cell lines i.e. MCF-7, Hep-G2 and THP-1 derived human macrophages. We observed a gradual increase in the anticancer effect caused by only phytase nanospheres (25\%), platinum-phytase nanospheres (37\%), phytase-curcumin (78\%) and platinum-phytase-curcumin nanospheres (90\%) that establishes this protein based system as a robust combinatorial drug delivery vehicle. The platinum-phytase spheres also proved their usability as a highly efficient green and reusable biocatalytic system for phytate degradation. The present work facilitates our understanding of ionic liquid based synthesis for multifunctional protein based drug delivery vehicles incorporating combinatorial chemotherapy for potential application as biopharmaceutical agents for tumor treatment and bio-catalysis.

}, issn = {2046-2069}, doi = {10.1039/c5ra11273g}, author = {Soni, Sarvesh K. and Sarkar, Sampa and Selvakannan, P. R. and Sarkar, Dhiman and Bhargava, Suresh Kumar} } @article { ISI:000351354000028, title = {Investigation of antiglycation activity of isoprenaline}, journal = {RSC Advances}, volume = {5}, number = {32}, year = {2015}, month = {MAR}, pages = {25051-25058}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Advanced glycation end products (AGEs) are implicated in pathogenesis of diabetes and its complications. In this study, we report the ability of isoprenaline to inhibit the AGE modification of protein by fluorescence spectroscopy and western blotting. Isoprenaline was more effective in inhibiting AGE modification than aminoguanidine, a well known glycation inhibitor. Further, we show that isoprenaline inhibits at Amadori product formation during glycation reaction by various techniques such as MALDI-TOF-MS, LC-MS/MS, and fructosamine assay. Mass spectrometric analysis of the glycation reaction mixture incubated with isoprenaline suggested that it forms adducts with glucose and thus inhibits glycation. The finding of the additional property of isoprenaline of inhibiting glycation suggests that it is a potential candidate for drug repositioning for the treatment of diabetes and its complications, as it is an FDA approved drug.

}, issn = {2046-2069}, doi = {10.1039/c5ra01723h}, author = {Kolekar, Yogesh M. and Vannuruswamy, Garikapati and Bansode, Sneha B. and Santhakumari, B. and Thulasiram, Hirekodathakallu V. and Kulkarni, Mahesh J.} } @article { ISI:000347895500008, title = {Investigation of phosphoproteome in RAGE signaling}, journal = {Proteomics}, volume = {15}, number = {2-3, SI}, year = {2015}, month = {JAN}, pages = {245-259}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

The receptor for advanced glycation end products (RAGE) is one of the most important proteins implicated in diabetes, cardiovascular diseases, neurodegenerative diseases, and cancer. It is a pattern recognition receptor by virtue of its ability to interact with multiple ligands, RAGE activates several signal transduction pathways through involvement of various kinases that phosphorylate their respective substrates. Only few substrates have been known to be phosphorylated in response to activation by RAGE (e.g., nuclear factor kappa B); however, it is possible that these kinases can phosphorylate multiple substrates depending upon their expression and localization, leading to altered cellular responses in different cell types and conditions. One such example is, glycogen synthase kinase 3 beta which is known to phosphorylate glycogen synthase, acts downstream to RAGE, and hyperphosphorylates microtubule-associated protein tau causing neuronal damage. Thus, it is important to understand the role of various RAGE-activated kinases and their substrates. Therefore, we have reviewed here the details of RAGE-activated kinases in response to different ligands and their respective phosphoproteome. Furthermore, we discuss the analysis of the data mined for known substrates of these kinases from the PhosphoSitePlus (http://www.phosphosite.org) database, and the role of some of the important substrates involved in cancer, diabetes, cardiovascular diseases, and neurodegenerative diseases. In summary, this review provides information on RAGE-activated kinases and their phosphoproteome, which will be helpful in understanding the possible role of RAGE and its ligands in progression of diseases.

}, keywords = {Cell biology, Disease, Glycation, Kinase, Phosphoproteome, RAGE}, issn = {1615-9853}, doi = {10.1002/pmic.201400169}, author = {Batkulwar, Kedar B. and Bansode, Sneha B. and Patil, Gouri V. and Godbole, Rashmi K. and Kazi, Rubina S. and Chinnathambi, Subashchandrabose and Shanmugam, Dhanasekaran and Kulkarni, Mahesh J.} } @article { ISI:000349069300003, title = {Ionic conductivity probed in main chain liquid crystalline azobenzene polyesters}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {53}, number = {5}, year = {2015}, month = {MAR}, pages = {629-641}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Three main chain thermotropic liquid crystalline (LC) azobenzene polymers were synthesized using the azobenzene twin molecule (P4P) having the structure Phenylazobenzene-tetraethyleneglycol-Phenylazobenzene as the AA monomer and diols like diethylene glycol, tetraethylene glycol (TEG), and hexaethylene glycol as the BB comonomer. Terminal C(O)OMe units on P4P facilitated transesterification with diols to form polyesters. All polymers exhibited stable smectic mesophases. One of the polymers, Poly(P4PTEG) was chosen to prepare composite polymer electrolytes with LiCF3SO3 and ionic conductivity was measured by ac impedance spectroscopy. The polymer/0.3 Li salt complex exhibited a maximum ionic conductivity in the range of 10(-5) S cm(-1) at room temperature (25 degrees C), which increased to 10(-4) S cm(-1) above 65 degrees C. The temperature dependence of ionic conductivity was compared with the phase transitions occurring in the sample and it was observed that the glass transition had a higher influence on the ionic conductivity compared to the ordered LC phase. Reversible ionic conductivity switching was observed upon irradiation of the polymer/0.3 Li salt complex with alternate UV and visible irradiation. (c) 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015, 53, 629-641

}, keywords = {azo polymers, glass transition, liquid-crystalline polymers (LCP)}, issn = {0887-624X}, doi = {10.1002/pola.27484}, author = {Nardele, Chinmay G. and Dhavale, Vishal M. and Sreekumar, K. and Asha, S. K.} } @article { ISI:000354378200018, title = {Iron superoxide dismutases in eukaryotic pathogens: new insights from apicomplexa and trypanosoma structures}, journal = {Acta Crystallographica Section F-Structural Biology Communications}, volume = {71}, number = {5, SI}, year = {2015}, month = {MAY}, pages = {615-621}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Prior studies have highlighted the potential of superoxide dismutases as drug targets in eukaryotic pathogens. This report presents the structures of three iron-dependent superoxide dismutases (FeSODs) from Trypanosoma cruzi, Leishmania major and Babesia bovis. Comparison with existing structures from Plasmodium and other trypanosome isoforms shows a very conserved overall fold with subtle differences. In particular, structural data suggest that B. bovis FeSOD may display similar resistance to peroxynitrite-mediated inactivation via an intramolecular electron-transfer pathway as previously described in T. cruzi FeSOD isoform B, thus providing valuable information for structure-based drug design. Furthermore, lysine-acetylation results in T. cruzi indicate that acetylation occurs at a position close to that responsible for the regulation of acetylation-mediated activity in the human enzyme.

}, keywords = {Apicomplexa, iron superoxide dismutase, Trypanosoma}, issn = {1744-3091}, doi = {10.1107/S2053230X15004185}, author = {Phan, Isabelle Q. H. and Davies, Douglas R. and Moretti, Nilmar Silvio and Shanmugam, Dhanasekaran and Cestari, Igor and Anupama, Atashi and Fairman, James W. and Edwards, Thomas E. and Stuart, Kenneth and Schenkman, Sergio and Myler, Peter J.} } @article { ISI:000357723600001, title = {Isolation, characterization and antifungal docking studies of wortmannin isolated from penicillium radicum}, journal = {Scientific Reports}, volume = {5}, year = {2015}, month = {JUL}, pages = {Article Number: 11948}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

During the search for a potent antifungal drug, a cell-permeable metabolite was isolated from a soil isolate taxonomically identified as Penicillium radicum. The strain was found to be a potent antifungal agent. Production conditions of the active compound were optimized and the active compound was isolated, purified, characterized and identified as a phosphoinositide 3-kinase (PI3K) inhibitor, commonly known as wortmannin (Wtmn). This is very first time we are reporting the production of Wtmn from P. radicum. In addition to its previously discovered anticancer properties, the broad spectrum antifungal property of Wtmn was re-confirmed using various fungal strains. Virtual screening was performed through molecular docking studies against potential antifungal targets, and it was found that Wtmn was predicted to impede the actions of these targets more efficiently than known antifungal compounds such as voriconazole and nikkomycin i.e. 1) mevalonate-5-diphosphate decarboxylase (1FI4), responsible for sterol/isoprenoid biosynthesis; 2) exocyst complex component SEC3 (3A58) where Rho-and phosphoinositide-dependent localization is present and 3) Kre2p/Mnt1p a Golgi alpha1,2-mannosyltransferase (1S4N) involved in the biosynthesis of yeast cell wall glycoproteins). We conclude that Wtmn produced from P. radicum is a promising lead compound which could be potentially used as an efficient antifungal drug in the near future after appropriate structural modifications to reduce toxicity and improve stability.

}, issn = {2045-2322}, doi = {10.1038/srep11948}, author = {Singh, Vineeta and Praveen, Vandana and Tripathi, Divya and Haque, Shafiul and Somvanshi, Pallavi and Katti, S. B. and Tripathi, C. K. M.} } @article { ISI:000346188400085, title = {Kinetic and mechanistic investigations of the Baylis-Hillman reaction in ionic liquids}, journal = {RSC Advances}, volume = {5}, number = {4}, year = {2015}, month = {NOV}, pages = {2994-3004}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report here a quantitative study of the kinetics and mechanism of the Baylis-Hillman reaction in the presence of ionic liquids as solvent media. Apparently, a simple Baylis-Hillman reaction can occur by two different exclusive mechanisms in ionic liquids. The delicate balance of these mechanisms is maintained by the ionic environment employed. The main features of the possible mechanism have been described here along with interesting kinetic consequences. The measurement of rate constants and activation energy parameters demonstrate that as the medium becomes basic, the order of the reaction changes from 1 to 2. An unexpected change in the mechanism of the reaction is observed with a change in the nature of the ionic liquid. The Linear Solvation Energy Relationship has also been used as an investigating tool to delineate the respective contributions of the cation and anion of the ionic liquid. The observation strongly dictates the dependency of the mechanism of the Baylis-Hillman reaction on the nature of the anion of the ionic liquids undertaken for this study.

}, issn = {2046-2069}, doi = {10.1039/c4ra14764b}, author = {Singh, Anshu and Kumar, Anil} } @article { ISI:000362849600271, title = {Landscapes of membrane protein interactions from high-throughput MD simulations using the daft approach}, journal = {Biophysical Journal}, volume = {108}, number = {2, 1}, year = {2015}, note = {59th Annual Meeting of the Biophysical-Society, Baltimore, MD, FEB 07-11, 2015}, month = {JAN}, pages = {526A-526A}, publisher = {Biophys Soc}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Wassenaar, Tsjerk A. and Pluhackova, Kristyna and Moussatova, Anastassiia and Sengupta, Durba and Marrink, Siewert-Jan and Tieleman, D. Peter and Boeckmann, Rainer A.} } @article { ISI:000362308600004, title = {Lannea coromandelica attenuates glucagon and oxyntomodulin mediated cAMP formation in HEK cells stably-expressing human glucagon receptor}, journal = {Journal of Herbal Medicine}, volume = {5}, number = {3}, year = {2015}, month = {SEP}, pages = {153-157}, publisher = {ELSEVIER GMBH, URBAN \& FISCHER VERLAG}, address = {OFFICE JENA, P O BOX 100537, 07705 JENA, GERMANY}, abstract = {

Antagonism of glucagon is a potential therapeutic approach for Type 2 diabetes mellitus (T2DM). The bark extract of Lannea coromandelica has been reported to have hypoglycemic or anti-diabetic effects on animal models and human subjects. The aim of this study was to elucidate the molecular mechanisms of L. coromandelica extract as a glucagon receptor antagonist. The aqueous extract of L. coromandelica bark attenuated glucagon-mediated cAMP formation in a concentration dependent manner with an IC50 value of 4.24 +/- 1.31 mu g/ml. It shifted a concentration response curve of glucagon towards the right with a 4, 21 and 40-fold change in IC50 at 6.25, 12.5 and 25 mu g/ml of extract, respectively. Additionally, it attenuated an oxyntomodulin-mediated cAMP response. The extract was found specifically to inhibit glucagon mediated cAMP formation since it was ineffective in reducing cAMP levels nonspecifically-elevated by forskolin. The data support that the aqueous extract of L. coromandelica antagonizes the glucagon receptor and has the potential to reduce glucagon mediated liver glucose output. (C) 2015 Elsevier GmbH. All rights reserved.

}, keywords = {cAMP, Diabetes, Glucagon, Lannea coromandelica, Mechanism, Oxyntomodulin}, issn = {2210-8033}, doi = {10.1016/j.hermed.2015.06.005}, author = {Walunj, Sameer and Gupta, Rajesh and Joshi, Swati P. and Sabharwal, Sushma G. and Joshi, Kalpana} } @article {42935, title = {Leucas mollissima, a source of bioactive compounds with antimalarial and antimycobacterium activities}, journal = {Planta Medica Letter}, volume = {2}, year = {2015}, month = {JAN}, pages = {e35-e38}, abstract = {

A phytochemical investigation of the acetone extract from the aerial parts of Leucas mollissima afforded one new (-)epi-marmelo lactone, (2 S, 4R, 6 S)-2,6-dimethyl-6 hydroxy-7-ene-4-olide (1), along with five known compounds, schensianol A (2), vanillin (3), β-hydroxy propiovanillone (4), lanost-9(11),25-diene-3β,24β-diol (5), and lanost-9(11),23E(24)-diene-3β,25-diol (6). Similarly, an investigation of the methanol extract of the aerial parts of L. mollissima resulted in the isolation of three known compounds, (+)-syringaresinol (7), anisofolin A (8), and apigenin 7-O-β-D(- 6''-p-E-coumaroyl)-glucoside (9). Structure elucidation of the isolated compounds was carried out using detailed analysis of 1D and 2D nuclear magnetic resonance. All compounds were evaluated for antimalarial activity against Plasmodium falciparum (3D7) and for antimycobacterium activity against Mycobacterium tuberculosis H37Ra and Mycobacterium bovis. Compound 8 was found to have promising antimalarial activity (IC50 4.39 {\textpm} 0.25 {\textmu}M), promising antimycobacterium activity [IC50 4.50 {\textpm} 0.75 {\textmu}M (3.31 {\textmu}g/mL)] against M. tuberculosis H37Ra and at 100 {\textmu}g/mL, showed 55.6 \% inhibition of M. bovis. Compound 9 showed moderate inhibition of P. falciparum growth (35 \% inhibition at 10 {\textmu}M) with respect to the positive control atovaquone and 67.4 \% inhibition against M. bovis at 100 {\textmu}g/mL with respect to the positive control rifampicin.

}, author = {Chinchansure, Ashish A. and Arkile, Manisha A. and Shukla, Anurag and Shanmugam, Dhanasekaran and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000351236300080, title = {Ligand-, base-, co-catalyst-free copper fluorapatite (CuFAP) as a versatile, ecofriendly, heterogeneous and reusable catalyst for an efficient homocoupling of arylboronic acid at ambient reaction conditions}, journal = {RSC Advances}, volume = {5}, number = {31}, year = {2015}, month = {MAR}, pages = {24675-24680}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This paper describes the first report in which copper species containing copper fluorapatite (CuFAP) acts as a versatile, eco-friendly, recyclable, heterogeneous catalyst for an efficient synthesis of symmetric biaryls from the homo-coupling of arylboronic acids in methanol solvent at ambient reaction conditions. The developed protocol is ligand-, base-, and co-catalyst-free, sustainable, mild, inexpensive, and compatible with a wide range of aromatic/heterocyclic boronic acids and provides the corresponding products in excellent yields without purification. The catalyst was easily recovered from the reaction mixture and reused several times without loss of activity.

}, issn = {2046-2069}, doi = {10.1039/c4ra16760k}, author = {Mulla, Shafeek Abdul Rashid and Chavan, Santosh S. and Pathan, Mohsinkhan Y. and Inamdar, Suleman M. and Shaikh, Taufeekaslam M. Y.} } @article { ISI:000352630600044, title = {Ligand-promoted intramolecular dehydrogenative cross-coupling using a Cu catalyst: direct access to polycyclic heteroarenes}, journal = {Chemical Communications}, volume = {51}, number = {32}, year = {2015}, month = {MAR}, pages = {7065-7068}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A copper(II)-promoted intramolecular C-H coupling reaction between indole-2 and imidazole-2 moieties has been developed for polycyclic heteroarene synthesis. The method provides direct access to biheteroaryl incorporated polycyclic frameworks, which are of huge interest in the area of functional materials and drug-discovery.

}, issn = {1359-7345}, doi = {10.1039/c5cc01817j}, author = {Ray, Devalina and Manikandan, T. and Roy, Arup and Tripathi, Krishna N. and Singh, Ravi P.} } @article { ISI:000368224600009, title = {Lithium-assisted proton conduction at 150 degrees C in a microporous triazine-phenol polymer}, journal = {Advanced Materials Interfaces}, volume = {2}, number = {16}, year = {2015}, month = {NOV}, pages = {1500301}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, keywords = {conduction, hydrophobic polar frameworks, lithiated polymers, proton conduction, triazine-phenol polymers}, issn = {2196-7350}, doi = {10.1002/admi.201500301}, author = {Nandi, Shyamapada and Dhavale, Vishal M. and Shalini, Sorout and Werner-Zwanziger, Ulrike and Singh, Harpreet and Kurungot, Sreekumar and Vaidhyanathan, Ramanathan} } @article {45879, title = {Low surface energy plane exposed co3o4 nanocubes supported on nitrogen-doped graphene as an electrocatalyst for efficient water oxidation}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, year = {2015}, month = {JAN }, pages = {442-451}, type = {Article}, issn = {1944-8244}, doi = {10.1021/am506450c}, author = {Singh, Santosh K. and Dhavale, Vishal M. and Kurungot, Sreekumar} } @article { ISI:000355656000013, title = {Low-temperature sintering and microwave dielectric properties of Zn2SiO4 ceramic added with crystalline zinc borate}, journal = {Journal of Electronic Materials}, volume = {44}, number = {7}, year = {2015}, month = {JUL}, pages = {2312-2320}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The physical and dielectric properties of composites of known microwave materials, Zn2SiO4 and Zn3B2O6, prepared by solid-state reaction, were investigated with the purpose of developing a low-loss dielectric material for low-temperature co-fired ceramic applications. An off-stoichiometric phase of Zn2SiO4 with extra SiO2 was used to avoid the occurrence of unreacted ZnO. During sintering, zinc borate was found to partially react with residual SiO2 to form Zn2SiO4. The residual zinc borate was converted to a boron-rich glassy phase which helped to reduce the sintering temperature of the composite. Good relative sintering density (\> 90\%) at temperatures below the melting temperature of zinc borate is indicative of a sintering mechanism of diffusion-based mass transfer. Composites containing 15 wt.\% zinc borate, 2.5 wt.\% lithium carbonate and 20 wt.\% zinc borate in zinc silicate had dielectric constants of 6.8 and 6.1, quality factors (Qxf) of 48,800 and 94,300 GHz when sintered at 900A degrees C and 950A degrees C, respectively. These quality factor results are close to the best values reported for zinc silicate at these sintering temperatures.

}, keywords = {dielectric constant, LTCC, quality factor, sintering density, zinc borate, zinc silicate}, issn = {0361-5235}, doi = {10.1007/s11664-015-3762-0}, author = {Chaware, Varsha and Deshmukh, Ravindra and Sarode, Chetan and Gokhale, Suresh and Phatak, Girish} } @article { ISI:000351137600009, title = {Male biased gene flow in banana pseudostem weevil (Odoiporus longicollis Oliver) as revealed by analysis of the COI-tRNA(Leu) COII region}, journal = {Genetica}, volume = {143}, number = {1}, year = {2015}, month = {FEB}, pages = {85-92}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The genetic diversity amongst thirty weevils representing six Indian populations of banana pseudostem weevil i.e. Odoiporus longicollis (Oliver) was estimated by sequence analysis of the partial COI-tRNA(Leu)-COII region. The sequences exhibited AT bias typical of insect mitochondrial DNA which was highest in the first codon position of COI and in the third codon position of COII. There was no phylogeographic distribution of the populations. The Fu and Li{\textquoteright}s D and F tests were non-significant for this mitochondrial region. No Wolbachia infection was detected in any of the populations. The genetic differentiation amongst the populations was highly significant (p \< 0.001; chi(2) = 123.333; df = 75), suggesting restricted gene flow between the populations. This result did not correlate with that obtained with nuclear rDNA markers i.e. ITS1 and ITS2, suggesting a male biased gene flow between the populations.

}, keywords = {Banana pseudostem weevil, COI-tRNA(Leu) -COII, Genetic differentiation, Male biased gene flow, Odoiporus longicollis (Oliver)}, issn = {0016-6707}, doi = {10.1007/s10709-015-9817-6}, author = {Shankar, Pallavi and Kulkarni, Vishvas M. and Kumar, Lalitha Sunil} } @article { ISI:000353360300017, title = {Manganese increases high mannose glycoform on monoclonal antibody expressed in cho when glucose is absent or limiting: implications for use of alternate sugars}, journal = {Biotechnology Progress}, volume = {31}, number = {2}, year = {2015}, month = {MAR-APR}, pages = {460-467}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Alternate sugars such as galactose and fructose are metabolized at a slower rate than glucose and result in lower accumulation of lactate. While low lactate accumulation is desirable, we report that complete substitution of glucose with these sugars results in an increase in M5 high mannose glycans. Surprisingly, this increase is much higher when the culture is supplemented with manganese: for example, when cells are cultured with galactose, M5 high mannose glycan content increased from 5\% at 1 nM Mn2+ in the basal medium to 32\% with 16 mu M Mn2+ supplementation. When galactose is supplemented with glucose maintained at low concentrations, a small reduction in high mannose glycans is seen. In control cultures with glucose, the high mannose content was however \<2\% in this range of Mn2+ concentration. By varying Mn2+ and glucose supplementation levels, with or without galactose, we systematically demonstrate that Mn2+ concentration and glucose availability, together, significantly affect the high mannose glycan content. To our knowledge, this is the first report that shows that the effect of Mn2+ on high mannose glycan content depends on glucose availability. At each Mn2+ supplementation level evaluated, galactosylation percentages were highest for cultures where galactose was supplemented with glucose at non-limiting concentration. (c) 2014 American Institute of Chemical Engineers Biotechnol. Prog., 31:460-467, 2015

}, keywords = {CHO, fructose, galactose, glucose, glycosylation, high-mannose glycan, manganese}, issn = {8756-7938}, doi = {10.1002/btpr.2029}, author = {Surve, Tanaya and Gadgil, Mugdha} } @article { ISI:000351972400028, title = {Mechanically stable thermally cross linked poly(acrylic acid)/reduced graphene oxide aerogels}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {11}, year = {2015}, month = {MAR}, pages = {6220-6229}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Graphene oxide (GO) aerogels, high porosity (\>99\%) low density (similar to 3-10 mg cm(-3)) porous materials with GO pore walls, are particularly attractive due to their lightweight, high surface area, and potential use in environmental remediation, superhydrophobic and superoleophilic materials, energy storage, etc. However, pure GO aerogels are generally weak and delicate which complicates their handling and potentially limits their commercial implementation. The focus of this work Vas to synthesize highly elastic, mechanically stable aerogels that are robust and easy to handle without substantially sacrificing their high porosity or low density. To overcome this challenge, a small amount of readily available and, thermally cross-linkable poly(acrylic acid) (PAA) was intermixed with GO to enhance the mechanical integrity Of the aerogel without disrupting other desirable characteristic properties. This method is a simple straightforward procedure that does not include multistep or complicated chemical reactions, and it produces aerogels with mass densities of about 4-6 mg cm(-3) and \>99.6\% porosity-that can reversibly support up to 10 000 times their weight with full recovery of their original volume. Finally; pressure sensing capabilities were demonstrated and their oil absorption capacities were measured to be around 120 g oil per g aerogel(-1) which highlights their potential Use in practical applications.

}, keywords = {aerogels, environmental remediation, graphene, Nanocomposites, poly(acrylic acid)}, issn = {1944-8244}, doi = {10.1021/acsami.5b00407}, author = {Ha, Heonjoo and Shanmuganathan, Kadhiravan and Ellison, Christopher J.} } @article { ISI:000357705800012, title = {Mechanism of oxygen atom transfer from Fe-V(O) to olefins at room temperature}, journal = {Inorganic Chemistry}, volume = {54}, number = {13}, year = {2015}, month = {JUL}, pages = {6112-6121}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In biological oxidations, the intermediate Fe-V(0)(OH) has been proposed to be the active species for catalyzing the epoxidation of alkenes by nonheme iron complexes. However, no study has been reported yet that elucidates the mechanism of direct O-atom transfer during the reaction of Fe-V(0) with alkenes to form the corresponding epoxide. For the first time, we study the mechanism of O-atom transfer to alkenes using the Fe-V(0) complex of biuret-modified Fe-TAML at room temperature. The second-order rate constant (k(2)) for the reaction of different alkenes with Fe-V(0) was determined under single-turnover conditions. An 8000-fold rate difference was found between electron-rich (4-methoxystyrene; k(2) = 216 M-1 s(-1)) and electron-deficient (methyl transcinnamate; k(2) = 0.03 M-1 s(-1)) substrates. This rate difference indicates the electrophilic character of Fe-V(0). The use of cis-stilbene as a mechanistic probe leads to the formation of both cis- and trans-stilbene epoxides (73:27). This suggests the formation of a radical intermediate, which would allow C-C bond rotation to yield both stereoisomers of stilbene-epoxide. Additionally, a Hammett rho value of -0.56 was obtained for the para-substituted styrene derivatives. Detailed DFT calculations show that the reaction proceeds via a two-step process through a doublet spin surface. Finally, using biuret-modified Fe-TAML as the catalyst and NaOCl as the oxidant under catalytic conditions epoxide was formed with modest yields and turnover numbers.

}, issn = {0020-1669}, doi = {10.1021/ic503053q}, author = {Singh, Kundan K. and Tiwari, Mrityunjay K. and Dhar, Basab B. and Vanka, Kumar and Sen Gupta, Sayam} } @article { ISI:000364057000083, title = {Mechanistic insight into the biomilling of goethite (alpha-FeO(OH)) nanorods using the yeast Saccharomyces cerevisiae}, journal = {RSC Advances}, volume = {5}, number = {111}, year = {2015}, month = {OCT}, pages = {91785-91794}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Since the last decade, eco-friendly routes for the synthesis of nanostructured materials of various types and functionalities have been a topic of enormous interest in the field of nanotechnology. The primary work in this field started with the {\textquoteleft}bottom-up{\textquoteright} microbial synthesis of nanoparticles, however, the bioleaching potential of microbes was initially overlooked in this research. The bioleaching process is useful especially where the synthesis of particles with size \< 10 nm is challenging. In the present work, the mechanistic insight of biomilling for a gradual transformation of anisotropic alpha-FeO(OH) rod-shaped particles into isotropic nanoparticles below 10 nm size has been explored using detailed UV-vis spectroscopy, transmission electron microscopy, atomic force microscopy, X-ray diffraction, and X-ray photoelectron spectroscopic studies which suggest that the aquo group present at the alpha-FeO(OH) surface may provide the site for interaction with carboxyl ions of protein molecules which results in the formation of a stable coordination compound with Fe3+ ions. This will create a new Fe3+ ion on the surface of the lattice which leads to the repetition of the process of protein complexation with Fe3+ ions and dissociation of the complex from the lattice that causes the fragmentation of bigger nanoparticles into protein functionalized smaller nanoparticles.

}, issn = {2046-2069}, doi = {10.1039/c5ra16951h}, author = {Sharan, Chandrashekhar and Khandelwal, Puneet and Poddar, Pankaj} } @conference {42970, title = {Mechanistic understanding of rapid gelation of silk fibroin using a biosurfactant {\textendash} sophorolipid}, booktitle = {National Science Day, At CSIR-NCL}, year = {2015}, month = {FEB}, address = {National Chemical Laboratory, Pune India}, abstract = {

3D polymeric hydrogels find use in biomedical applications as scaffolds and drug delivery vehicle {\textbullet} Silk fibroin a structural protein is a promising candidate (excellent thermo-mechanicals, biocompatibility, biodegradability) {\textbullet} Sophorolipid (SL)-a biosurfactant is known to exhibit antimicrobial, anti cancerous and cell differentiating. {\textbullet} Use of SL as gelling agent can enhance the applicability of SF hydrogels {\textbullet} SF-SL scaffolds obtained by lyophilization of hydrogels can find application in tissue regeneration

}, author = {Dubey, Parul and Nawale, Laxman and Sarkar, Dhiman and Nisal, Anuya and Prabhune, Asmita} } @article { ISI:000355702900052, title = {Mesoporous TUD-1 supported indium oxide nanoparticles for epoxidation of styrene using molecular O-2}, journal = {RSC Advances}, volume = {5}, number = {58}, year = {2015}, month = {MAY}, pages = {46850-46860}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Activation of molecular O-2 by metal or metal oxide nanoparticles is an area of recent research interest. In this work, for the first time, we report that indium oxide nanoparticles of \<3 nm size dispersed on mesoporous silica (TUD-1) can activate molecular O-2 and produce styrene epoxide with a selectivity of 60\% and styrene conversion around 25\% under mild conditions. It is found that neither indium oxide nor TUD-1 themselves respond to the styrene epoxidation reaction. The computational studies provide evidence that an oxygen molecule is highly polarized when it is located near the interface of both surfaces. The kinetic study shows that the reaction is of pseudo-first order and that the activation energy for styrene conversion is 12.138 kJ mol(-1). The catalysts are recyclable for up to four regeneration steps, with the styrene conversion and styrene epoxide selectivity almost unchanged.

}, issn = {2046-2069}, doi = {10.1039/c5ra03400k}, author = {Rahman, Sumbul and Farooqui, Saleem A. and Rai, Aditya and Kumar, Rawesh and Santra, Chiranjit and Prabhakaran, Vinod C. and Bhadu, Gopala Ram and Sen, Debasis and Mazumder, S. and Maity, Sudip and Sinha, Anil K. and Chowdhury, Biswajit} } @article { ISI:000357805500028, title = {Metal-free regioselective C-3 acetoxylation of N-substituted indoles: crucial impact of nitrogen-substituent}, journal = {RSC Advances}, volume = {5}, number = {71}, year = {2015}, month = {JUN}, pages = {57472-57481}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A metal-free method for the regioselective C-3 acetoxylation of the N-substituted indoles with PhI(OAc)(2) is described under mild reaction conditions. This method tolerates a broad range of functional groups with moderate to good yields. The pi-electron-deficient aryl-substituents on the N-atom of indoles and the acidic reaction medium remarkably favor C-3 acetoxylation.

}, issn = {2046-2069}, doi = {10.1039/c5ra10428a}, author = {Soni, Vineeta and Patel, Ulhas N. and Punji, Benudhar} } @article { ISI:000359067400013, title = {Methane hydrate formation in a test sediment of sand and clay at various levels of water saturation}, journal = {Canadian Journal of Chemistry}, volume = {93}, number = {8, 1, SI}, year = {2015}, month = {AUG}, pages = {874-881}, publisher = {CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS}, address = {65 AURIGA DR, SUITE 203, OTTAWA, ON K2E 7W6, CANADA}, abstract = {

Kinetics of methane hydrate formation with different ratios of silica sand and clay and different water saturations were studied. At suitable temperature and methane gas pressure, water in the void spaces of silica sand packing and intercalated area of clay were converted into hydrate. It was observed that the rate of hydrate formation increases with higher void space in the packing, and addition of clay in test sediment decreases water to hydrate conversion as well as rate of hydrate formation. Maximum water to hydrate conversion of 60.0\% was achieved in pure silica sand bed at 75\% water saturation. Presence of fine clay particles is expected to reduce the void spaces and thus may hinder effective mass transfer of hydrate forming gases in the bed. However, it is also possible that the bentonite clay used in this work may actually inhibit hydrate growth. Additional experiments in stirred tank reactor were carried out to understand the inhibiting effect of bentonite clay for hydrate formation.

}, keywords = {clay, formation kinetics, methane hydrate, Silica sand, water saturation}, issn = {0008-4042}, doi = {10.1139/cjc-2014-0537}, author = {Kumar, Asheesh and Sakpal, Tushar and Roy, Sudip and Kumar, Rajnish} } @article { ISI:000346692500016, title = {Method to form semiconductor quantum dot (QD) thin films by igniting a flame at air-liquid interface: CdS and WO3}, journal = {Journal of Colloid and Interface Science}, volume = {439}, year = {2015}, month = {FEB}, pages = {121-128}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

We reveal an easy, inexpensive, efficient one step flame synthesis of semiconductor/metal oxide thin films at air-liquid interface, subsequently, transferred on suitable substrate. The method has been illustrated by the formation of CdS and Wo(3) QDs thin films. The features of the present method are (1) Growth of thin films consisting of 0.5-2.0 nm sized Quantum Dots (QDs)/(ultra-small nanoparticles) in a short time, at the air-liquid interface which can be suitably transferred by a well-known Blodgett technique to an appropriate substrate, (2) The method is suitable to apply layer by layer (LbL) technique to increase the film thickness as well as forming various compositions as revealed by AFM measurements. The films are characterized for their structure (SAED), morphology (TEM), optical properties (UV-Vis.) and photoluminescence (PL). Possible mechanism of formation of QDs thin film and effect of capping in case of COS QDs is discussed. (C) 2014 Elsevier Inc. All rights reserved.

}, keywords = {CdS, Flame synthesis, interface, Quantum Dots (QDs), thin film, WO3}, issn = {0021-9797}, doi = {10.1016/j.jcis.2014.10.029}, author = {Jadhav, Aarti H. and Patil, Sagar H. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article { ISI:000360873600007, title = {Microbacterium enclense sp nov., isolated from sediment sample}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {7}, year = {2015}, month = {JUL}, pages = {2064-2070}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A novel bacterium (strain NIO-1002(T)) belonging to the genus Microbacterium was isolated from a marine sediment sample in Chorao Island, Goa Province, India. Its morphology, physiology, biochemical features and 16S rRNA gene sequence were characterized. Cells of this strain were Gram-stain-positive, non-motile, non-spore-forming rods that formed yellow-pigmented colonies. It grew in 0-12 \% (w/v) NaCl and at 25-37 degrees C, with optimal growth at 30 degrees C. Phylogenetic analysis based on 16S rRNA gene sequences indicated that strain NIO-1002(T) is associated with members of the genus Microbacterium, with highest sequence similarity with Microbacterium hominis CIP 105731(T) (98.1\%) and Microbacterium testaceum KCTC 9103(T) (98.0 \%). Within the phylogenetic tree, this novel strain shared a branching point with M. hominis CIP 105731(T). The DNA G+C content was 66.5 mol\% and DNA DNA hybridization relatedness between NI-1002(T), M. hominis CIP 105731(T) and M. testaceum KCTC 9103(T) was 39.0 +/- 2.0 \% and 41.0 +/- 2.0 \%, respectively. The major fatty acids were ai-C-15:0, i-C-16:0 and al-C-17:0 and the diamino acid in the cell-wall peptidoglycan of NIO-1002(T) was lysine. Data obtained from DNA-DNA hybridization and chemotaxonomic phenotypic analysis support the conclusion that strain NIO-1002(T) represents a novel species within the genus Microbacterium. The name Microbacterium enclense sp. nov. is proposed, with NIO-1002(T) (=NCIM 5454(T)=DSM 25125(T)=CCTCC AB 2011120(T)) as the type strain.

}, issn = {1466-5026}, doi = {10.1099/ijs.0.000221}, author = {Mawlankar, Rahul R. and Mual, Poonam and Sonalkar, Vidya V. and Thorat, Meghana N. and Verma, Ashish and Srinivasan, Krishnamurthi and Dastager, Syed Gulam} } @article { ISI:000364521100015, title = {Microbial selenium nanoparticles (SeNPs) and their application as a sensitive hydrogen peroxide biosensor}, journal = {Applied Biochemistry and Biotechnology}, volume = {177}, number = {6}, year = {2015}, month = {NOV}, pages = {1386-1393}, publisher = {HUMANA PRESS INC}, address = {999 RIVERVIEW DRIVE SUITE 208, TOTOWA, NJ 07512 USA}, abstract = {

The cell-free extract, a crude enzyme (cytosolic and membrane fraction) obtained from an environmental isolate, Bacillus pumilus sp. BAB-3706 worked as excellent in reducing as well as stabilizing agent and facilitated the formation of stable colloidal selenium nanoparticles (SeNPs). Resulting nanoparticles were characterized using UV-vis spectrophotometer, TEM, EDAX, FT-IR and XRD, respectively. A working electrode was modified by coating the surface of indium tin oxide (ITO) with colloidal SeNPs. Successive additions of H2O2 (100 to 600 mu M) in conventional three electrodes system, cyclic voltammeter with potential scan rate 25.0 mV/s, in 0.1 M phosphate buffer solution (PBS) yielded increase in current. A perpetual amperometric response at fixed potential (-1.0 V) and at selected time interval of 100 s showed different magnitude of current at every addition of H2O2. The linear range of detection of H2O2 was from 5 to 600 mM (R (2) = 0.9965), while the calculated limit of detection was found to be 3.00 mu M. The current study suggested that microbial SeNPs can be used for fabrication of low cost, sensitive H2O2 biosensor.

}, keywords = {Biosensor, EDAX, Hydrogen peroxide, Selenium nanoparticles, TEM, UV-vis spectroscopy}, issn = {0273-2289}, doi = {10.1007/s12010-015-1814-9}, author = {Prasad, Kumar Suranjit and Vaghasiya, Jayraj V. and Soni, Saurabh S. and Patel, Jitesh and Patel, Rinkesh and Kumari, Madhu and Jasmani, Falguni and Selvaraj, Kaliaperumal} } @article { ISI:000361312700001, title = {Micro-structural analysis of NiFe2O4 nanoparticles synthesized by thermal plasma route and its suitability for BSA adsorption}, journal = {Journal of Materials Science-Materials in Medicine}, volume = {26}, number = {8}, year = {2015}, month = {AUG}, pages = {216}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

The paper presents the experimental studies pertaining to the adsorption of bovine serum albumin (BSA) on the nanoparticles of nickel ferrite (NiFe2O4) with a view of correlating the adsorption properties to their microstructure and zeta potentials. Physical properties of two kinds of nickel ferrites, one synthesized by thermal plasma route and the other by chemical co-precipitation method, are compared. Maximum adsorption (231.57 lg/mg) of BSA onto nickel ferrite nanoparticles, at body temperature (37 degrees C) was observed at pH-value of 5.58 for the thermal plasma synthesized particles showing its higher adsorption capacity than those synthesized by wet chemical means (178.71 mu g/mg). Under the same physical conditions the value of zeta potential, obtained for the former, was higher than that of the latter over a wide range of pH values (3.64-9.66). This is attributed to the differences in the specific surface energies of the two kinds of nanoparticles arising from the degree of crystallinity. The paper presents the experimental evidence for the single crystalline nature of the individual nanoparticles, with mean size of 32 nm, for the thermal plasma synthesized particles as evidenced from the high resolution transmission electron microscopy and electron diffraction analysis. The measurements also reveal the poor crystalline morphology in the chemically prepared particles (mean size of 28 nm) although the X-ray diffraction patterns are not much different. The atomic force microscopy images confirm that the surfaces of plasma synthesized nanoparticles possesses higher surface roughness than that of chemically synthesized one. Presence of adsorbed protein was confirmed by vibrational spectroscopy. The Langmuir adsorption model is found to fit into the experimental data better than the Freundlich adsorption model.

}, issn = {0957-4530}, doi = {10.1007/s10856-015-5547-7}, author = {Bhosale, Shivaji V. and Kanhe, Nilesh S. and Bhoraskar, S. V. and Bhat, Suresh K. and Bulakhe, Ravindra N. and Shim, Jae-Jin and Mathe, Vikas L.} } @article { ISI:000362919100021, title = {Mild regiospecific alcoholysis and aminolysis of epoxides catalyzed by zirconium(IV) oxynitrate}, journal = {Tetrahedron Letters}, volume = {56}, number = {43}, year = {2015}, month = {OCT}, pages = {5916-5919}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A regiospecific method for the ring-opening reaction of epoxides by the primary, secondary, tertiary alcohols, and aryl, aliphatic amines has been developed using non-toxic metal nitrate salt as a catalyst. The best results were obtained using zirconium(IV) oxynitrate among the various screened metal nitrate salts. The reported protocol works efficiently for styrene epoxide and aliphatic as well. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Alcoholysis, Aminolysis, Epoxide, Lewis acid, Zirconia}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.09.031}, author = {Shinde, Sandip S. and Said, Madhukar S. and Surwase, Trupti B. and Kumar, Pradeep} } @article { ISI:000362749100016, title = {Modular synthesis of biaryl-substituted phosphine ligands: application in microwave-assisted palladium-catalyzed C-N cross-coupling reactions}, journal = {European Journal of Organic Chemistry}, number = {29}, year = {2015}, month = {OCT}, pages = {6515-6525}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Biaryl-substituted monophosphine-based ligands have been synthesized by transition-metal-free ARYNE cross-coupling reaction of aryllithiums with 1,2-dibromobenzene and subsequent regioselective functionalization through bromine-lithium interconversion. These ligands were employed in palladium-catalyzed C-N bond-forming reactions. The reaction was found to be general with wide substrate applicability. A wide variety of both primary and secondary amines were successfully coupled with an array of differently substituted halobenzenes under microwave irradiation to give the expected products in good to excellent yields. A number of biaryl-substituted phosphine ligands screened for the coupling reaction showed that steric bulk and the electronic properties of substituents on phosphorus play a crucial role in governing the catalytic activity of C-N cross-coupling reactions.

}, keywords = {Biaryls, Cross-coupling, Homogeneous catalysis, Microwave chemistry, Palladium, Phosphines, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.201500962}, author = {Singh, Chandani and Rathod, Jayant and Jha, Vishwajeet and Panossian, Armen and Kumar, Pradeep and Leroux, Frederic R.} } @article {43002, title = {Molecular docking and QSAR analyses for understanding the antimalarial activity of some 7-substituted-4-aminoquinoline derivatives}, journal = {European Journal of Pharmaceutical Sciences}, volume = {77}, year = {2015}, month = {SEP}, pages = {9-23}, abstract = {

The quinoline moiety is one of the widely studied scaffolds for generating derivatives with various pharmacophoric groups due to its potential antimalarial activities. In the present study, a series of 7-substituted-4-aminoquinoline derivatives were selected to understand their antimalarial properties computationally by molecular modeling techniques including 2D QSAR, comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA) and molecular docking. The 2D-QSAR model built with four descriptors selected by genetic algorithm technique and CoMFA model showed satisfactory statistical results (Q(2) = 0.540, R-ncv(2) = 0.881, F value = 157.09). A reliable CoMSIA model out of the fourteen different combinations has a Q(2) value of 0.638. The molecular docking studies of the compounds for 1CET as the protein target revealed that ten compounds showed maximum interactions with the binding site of the protein. The present study highlights the unique binding signatures of the ligands within the active site groove of the target and it explains the subtle differences in their EC50 values and their mechanism of inhibition. (C) 2015 Elsevier B.V. All rights reserved.

}, doi = {10.1016/j.ejps.2015.05.025}, author = {Shibi, I. G. and Aswathy, L. and Jisha, Radhakrishnan S. and Masand, Vijay H. and Divyachandran, A. and Gajbhiye, J. M.} } @article { ISI:000358627400006, title = {Molecular dynamics simulations of GPCR-cholesterol interaction: an emerging paradigm}, journal = {Biochimica Et Biophysica Acta-Biomembranes}, volume = {1848}, number = {9, SI}, year = {2015}, month = {SEP}, pages = {1775-1782}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

G protein-coupled receptors (GPCRs) are the largest class of molecules involved in signal transduction across cell membranes and represent major targets in the development of novel drug candidates. Membrane cholesterol plays an important role in GPCR structure and function. Molecular dynamics simulations have been successful in exploring the effect of cholesterol on the receptor and a general consensus molecular view is emerging. We review here recent molecular dynamics studies at multiple resolutions highlighting the main features of cholesterol-GPCR interaction. Several cholesterol interaction sites have been identified on the receptor that are reminiscent of nonannular sites. These cholesterol hot-spots are highly dynamic and have a microsecond time scale of exchange with the bulk lipids. A few consensus sites (such as the CRAC site) have been identified that correspond to higher cholesterol interaction. Interestingly, high plasticity is observed in the modes of cholesterol interaction and several sites have been suggested to have high cholesterol occupancy. We therefore believe that these cholesterol hot-spots are indicative of {\textquoteleft}high occupancy sites{\textquoteright} rather than {\textquoteleft}binding sites{\textquoteright}. The results suggest that the energy landscape of cholesterol association with GPCRs corresponds to a series of shallow minima interconnected by low barriers. These specific interactions, along with general membrane effects, have been observed to modulate GPCR organization. Membrane cholesterol effects on receptor structure and organization, that in turn influences receptor cross-talk and drug efficacy, represent a new frontier in GPCR research. This article is part of a Special Issue entitled: Lipid-protein interactions. Guest Editors: Amitabha Chattopadhyay and jean-Marie Ruysschaert. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Coarse-grain simulation, CRAC, GPCR, Lipid-receptor interaction, Membrane cholesterol, Receptor dimerization}, issn = {0005-2736}, doi = {10.1016/j.bbamem.2015.03.018}, author = {Sengupta, Durba and Chattopadhyay, Amitabha} } @article { ISI:000364830000010, title = {Molecular mechanism underlying recruitment and insertion of lipid-anchored LC3 protein into membranes}, journal = {Biophysical Journal}, volume = {109}, number = {10}, year = {2015}, month = {NOV}, pages = {2067-2078}, publisher = {CELL PRESS}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, abstract = {

Lipid modification of cytoplasmic proteins initiates membrane engagement that triggers diverse cellular processes. Despite the abundance of lipidated proteins in the human proteome, the key determinants underlying membrane recognition and insertion are poorly understood. Here, we define the course of spontaneous membrane insertion of LC3 protein modified with phosphatidylethanolamine using multiple coarse-grain simulations. The partitioning of the lipid anchor chains proceeds through a concerted process, with its two acyl chains inserting one after the other. Concurrently, a conformational rearrangement involving the alpha-helix III of LC3, especially in the three basic residues Lys(65), Arg(68), and Arg(69), ensures stable insertion of the phosphatidylethanolamine anchor into membranes. Mutational studies validate the crucial role of these residues, and further live-cell imaging analysis shows a substantial reduction in the formation of autophagic vesicles for the mutant proteins. Our study captures the process of water-favored LC3 protein recruitment to the membrane and thus opens, to our knowledge, new avenues to explore the cellular dynamics underlying vesicular trafficking.

}, issn = {0006-3495}, doi = {10.1016/j.bpj.2015.09.022}, author = {Thukral, Lipi and Sengupta, Durba and Ramkumar, Amrita and Murthy, Divya and Agrawal, Nikhil and Gokhale, Rajesh S.} } @conference {45949, title = {Molecular sieves and ultrasound-assisted synthesis of novel 1,3,4-oxadiazole-2-thiones derivatives as potential antifungal agents}, booktitle = {19TH INTERNATIONAL ELECTRONIC CONFERENCE ON SYNTHETIC ORGANIC CHEMISTRY}, year = {2015}, publisher = {MDPI; Univ Sanitiago Compostila; SES; Flow Chemistry; REGAL S; Molecules}, organization = {MDPI; Univ Sanitiago Compostila; SES; Flow Chemistry; REGAL S; Molecules}, address = {ST. ALBAN-ANLAGE 66, BASEL, CH-4052, SWITZERLAND}, abstract = {

In the category of microorganism, fungi are considered as the special class of microbes responsible for opportunistic pathogenic infections in humans species. Due to the side effects of commercially available antifungal drugs and the emergence of new drug resistant fungal species in the past few years, has forced the researchers to search for novel and efficient antifungal drug molecules. The 1,3,4-oxadiazoles scaffold is associated with diverse biological activities. The multipurpose use of the Mannich bases in pharmaceutical chemistry promote us to prepare a new series of 5-(4-(benzyloxy)substituted phenyl)-3-((phenyl amino)methyl)-1,3,4oxadiazole-2(3H)-thione as antifungal agents. Herein, we report molecular sieves and ultrasound assisted synthesis of novel series of Mannich bases of the 5-substituted 1,3,4-oxadiazole-2-thiones by amino methylation with paraformaldehyde and substituted primary / secondary amines and their evaluation for antifungal activity. The structures of the newly synthesized compounds were determined by IR, NMR and Mass spectral study. The synthesized compounds exhibited interesting moderate to excellent antifungal activity against Candida albicans (NCIM 3557), Candida albicans(NCIM3471), Candida glabrata(NCIM3237), Cryptococcus neoformans (NCIM 3542), Cryptococcus neoformans(NCIM 3378), Aspergillus fumigates(NCIM 902), Aspergillus niger(NCIM 628) using Flucanazole as a standard reference drug. The synthesised compounds 6d, 6f,6g, 6h and 6j exhibited promising antifungal activity as antifungal agents.

}, keywords = {1, 3, 4-oxadiazoles, Antifungal activity, Mannich reaction, Molecular sieves, Ultrasound -assisted}, doi = {10.3390/ecsoc-19-b008}, author = {Nikalje, Anna Pratima G. and Nimbalkar, Ms Urja D. and Tupe, Santosh and Vazquez, Julio A. Seijas and Tato, Maria Pilar Vazquez}, editor = {Seijas, JA and Tato, MPV and Lin, SK} } @article { ISI:000363668200036, title = {Multifaceted core-shell nanoparticles: superparamagnetism and biocompatibility}, journal = {New Journal of Chemistry}, volume = {39}, number = {11}, year = {2015}, month = {AUG}, pages = {8513-8521}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

NicoreAgshell nanoparticles were synthesized by redox transmetallation reaction. Reduction potential match was encouraging to attempt the synthesis of the NicoreAushell system too. However, it could be achieved only after an effective surface modification on the Ni-core. Thorough characterization (UV-Vis spectroscopy, fluorescence spectroscopy, XRD, XPS, FTIR, TEM, and EDX) proved the necessity of surface modification and the success of synthesis of both types of core-shell structures. The chemical composition and topography were determined using STEM-HAADF analysis and EFTEM imaging. Fourier transform infrared (FTIR) spectroscopy confirmed the surface modification of Ni nanoparticles and the interactions involved between the ligands and metals (in the core and/or the shell) at various steps of the synthetic process. Even after the formation of the noble metal shell, the magnetic core was found to retain its superparamagnetic nature. In addition, the Au-shell protected the core from aerial oxidation and decreased toxicity as compared to pristine Ni nanoparticles as observed by MTT assay on normal cells (PBMCs).

}, issn = {1144-0546}, doi = {10.1039/c5nj01481f}, author = {Sardar, Debasmita and Neogi, S. K. and Bandyopadhyay, Sanjoy and Satpati, Biswarup and Ahir, Manisha and Adhikary, Arghya and Jain, Ruchi and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article { ISI:000363068400047, title = {Multifaceted thermodynamics of Pb-n (n=16-24) clusters: a case study}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {41}, year = {2015}, month = {OCT}, pages = {23698-23707}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Thermodynamic response of small clusters is a challenging area of exploration, both experimentally and theoretically. In this article, we study the thermodynamic behavior of small Pb clusters (size 16-24) using Born-Oppenheimer molecular dynamics. A new ground state structure is reported for Pb-20. Except for Pb-21, all clusters fragment at temperatures above T-m[bulk] and show no signs of melting. Characteristic behavior like restricted diffusion and solid solid transition is discussed in detail. Variation in the isomerization temperature of these clusters is explained using the bond length analysis. Root mean square bond length fluctuations (delta(rms)) along with distribution of atoms about center of mass of the cluster as a function of time and distance-energy (DE) plots are used to bring out the essential features of Pb cluster thermodynamics. Analysis carried out using these parameters, and their interpretation regarding state of the system, are discussed in detail. We highlight that it is not possible to define {\textquoteleft}{\textquoteleft}liquid state{\textquoteright}{\textquoteright} for these small clusters, in the conventional frame of understanding.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b05250}, author = {Susan, Anju and Kaware, Vaibhav and Joshi, Kavita} } @article {42975, title = {Multifunctional silica nanoparticles for pancreatic cancer specific drug delivery and bioimaging}, journal = {Journal of Chemistry \& Applied Biochemistry}, volume = {2}, year = {2015}, month = {JUN}, abstract = {

Mesoporous silica nanoparticles (MSN) have attracted increasing interest as drug carriers due to their biocompatibility and robustness. In this analysis we explored the potential of MSN as nanotheranostic platform for pancreatic cancer specific drug delivery and bioimaging. Pancreatic cancer is the most fatal cancer and due to its high mortality and low prognosis it is imperative to develop new methods for early diagnosis and therapy of this cancer. Though traditionally organic dyes, quantum dots and fluorescent agents are used for bioimaging but here we have utilized graphene quantum dots (GQDs) for bioimaging due to their superior biocompatibility and fluorescence properties. MSN were loaded with gemcitabine; the most preferred drug for pancreatic cancer. MSN and GQDs were characterized by SEM, TEM, FT-IR etc and the efficacy of nanoformulation was determined by MTT assay.

}, author = {Nigam, Preeti and Sarkar, Dhiman} } @article { ISI:000369637800040, title = {Myroides indicus sp nov., isolated from garden soil}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {11}, year = {2015}, month = {NOV}, pages = {4008-4012}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A novel aerobic, non-motile, rod-shaped, catalase-and oxidase-positive bacterial strain, designated UKS3(T), was isolated from garden soil, and subjected to polyphasic taxonomic analysis. Strain UKS3(T) formed whitish, viscous colonies on nutrient agar and was Gram-staining negative. Phylogenetic analysis, based on 16S rRNA gene sequence, showed that maximum pairwise similarity occurs with representatives of the genus Myroides. The most closely related species include Myroides marinus JS-08(T) (92.7 \% sequence similarity), Myroides phaeus MY15(T) (92.7 \%), Myroides odoratus DSM 2801(T) (91.5 \%) and Myroides odoratimimus CCUG 39352(T) (91.4 \%). Strain UKS3(T) contained menaquinone-6 (MK-6) as the major respiratory quinone and iso-C-15 : 0 (40.2 \%), anteiso-C-15 : 0 (9.4 \%) and iso-C-17 : 0 3-OH (8.5 \%) as major fatty acids. Phosphatidylethanolamine, phospholipids and three aminolipids were the major polar lipids. The DNA G + C content of strain UKS3(T) was 36.8 +/- 2.0 mol\%. On the basis of phenotypic, chemotaxonomic and molecular analysis, strain UKS3(T) represents a novel species of the genus Myroides, for which the name Myroides indicus sp. nov., is proposed. The type strain is UKS3(T) (= DSM 28213(T) = NCIM 5555(T)).

}, issn = {1466-5026}, doi = {10.1099/ijsem.0.000530}, author = {Ram, Hari and Kumar, Alok and Thomas, Lebin and Dastager, Syed Gulam and Mawlankar, Rahul R. and Singh, Ved Pal} } @article { ISI:000365530700031, title = {Nanocrystalline Fe-Fe2O3 particle-deposited N-doped graphene as an activity-modulated Pt-free electrocatalyst for oxygen reduction reaction}, journal = {Nanoscale}, volume = {7}, number = {47}, year = {2015}, month = {OCT}, pages = {20117-20125}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The size-controlled growth of nanocrystalline Fe-Fe2O3 particles (2-3 nm) and their concomitant dispersion on N-doped graphene (Fe-Fe2O3/NGr) could be attained when the mutually assisted redox reaction between NGr and Fe3+ ions could be controlled within the aqueous droplets of a water-in-oil emulsion. The synergistic interaction existing between Fe-Fe2O3 and NGr helped the system to narrow down the overpotential for the oxygen reduction reaction (ORR) by bringing a significant positive shift to the reduction onset potential, which is just 15 mV higher than its Pt-counterpart. In addition, the half-wave potential (E-1/2) of Fe-Fe2O3/NGr is found to be improved by a considerable amount of 135 mV in comparison to the system formed by dispersing Fe-Fe2O3 nanoparticles on reduced graphene oxide (Fe-Fe2O3/RGO), which indicates the presence of a higher number of active sites in Fe-Fe2O3/NGr. Despite this, the ORR kinetics of Fe-Fe2O3/NGr are found to be shifted significantly to the preferred 4-electron-transfer pathway compared to NGr and Fe-Fe2O3/RGO. Consequently, the H2O2\% was found to be reduced by 78.3\% for Fe-Fe2O3/NGr (13.0\%) in comparison to Fe-Fe2O3/RGO (51.2\%) and NGr (41.0\%) at -0.30 V (vs. Hg/HgO). This difference in the yield of H2O2 formed between the systems along with the improvements observed in terms of the oxygen reduction onset and E-1/2 in the case of Fe-Fe2O3/NGr reveals the activity modulation achieved for the latter is due to the coexistence of factors such as the presence of the mixed valancies of iron nanoparticles, small size and homogeneous distribution of Fe-Fe2O3 nanoparticles and the electronic modifications induced by the doped nitrogen in NGr. A controlled interplay of these factors looks like worked favorably in the case of Fe-Fe2O3/NGr. As a realistic system level validation, Fe-Fe2O3/NGr was employed as the cathode electrode of a single cell in a solid alkaline electrolyte membrane fuel cell (AEMFC). The system could display an open circuit voltage (OCV) of 0.73 V and maximum power and current densities of 54.40 mW cm(-2) and 200 mA cm(-2), respectively, which are comparable to the performance characteristics of a similar system derived by using 40 wt\% Pt/C as the cathode electrode.

}, issn = {2040-3364}, doi = {10.1039/c5nr04929f}, author = {Dhavale, Vishal M. and Singh, Santosh K. and Nadeema, Ayasha and Gaikwad, Sachin S. and Kurungot, Sreekumar} } @article { ISI:000361532500003, title = {New butenolide cinnamate and other biological active chemical constituents from Polygonum glabrum}, journal = {Natural Product Research}, volume = {29}, number = {22}, year = {2015}, month = {NOV}, pages = {2080-2086}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Phytochemical investigation of the methanol extract of the aerial parts of Polygonum glabrum afforded one new natural product (-)-2-methoxy-2-butenolide-3-cinnamate (1) along with six known compounds, -hydroxyfriedalanol (2), 3-hydroxy-5-methoxystilbene (3), (-) pinocembrin (4), sitosterol-(6-O-palmitoyl)-3-O{\textendash}d-glucopyranoside (5), (-) pinocembrin-5-methyl ether (6) and sitosterol-3-O{\textendash}d-glucopyranoside (7). Compound 1 showed promising in vitro anti-HIV-1 activity against primary isolates HIV-1(UG070) (X4, subtype D) and HIV-1(VB59) (R5, subtype C) assayed using TZM-bl cell line with IC50 in the range of 15.68-22.43g/mL. The extract showed TI in the range of 19.19-27.37 with IC50 in the range of 10.90-15.55g/mL. Compounds 1, 3 and 4 exhibited in vitro anti-mycobacterium activity against Mycobacterium tuberculosis H37Ra with IC50 values of 1.43, 3.33 and 1.11g/mL in dormant phase and 2.27, 3.33 and 1.21g/mL in active phase, respectively. Compound 4 was found to be the most active antiproliferative with IC50 values of 1.88-11.00g/mL against THP-1, A549, Panc-1, HeLa and MCF7 cell lines.

}, keywords = {anti-HIV-1, anti-mycobacterium, antiproliferative, phytochemicals, Polygonaceae, Polygonum glabrum}, issn = {1478-6419}, doi = {10.1080/14786419.2015.1004674}, author = {Said, Madhukar S. and Chinchansure, Ashish A. and Nawale, Laxman and Durge, Ankita and Wadhwani, Ashish and Kulkarni, Smita S. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000367232900032, title = {New insights into in vitro amyloidogenic properties of human serum albumin suggest considerations for therapeutic precautions}, journal = {Febs Letters}, volume = {589}, number = {24, B}, year = {2015}, month = {DEC}, pages = {4033-4038}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Amyloid aggregates display striking features of detergent stability and self-seeding. Human serum albumin (HSA), a preferred drug-carrier molecule, can also aggregate in vitro. So far, key amyloid properties of stability against ionic detergents and self-seeding, are unclear for HSA aggregates. Precautions against amyloid contamination would be required if HSA aggregates were self-seeding. Here, we show that HSA aggregates display detergent sarkosyl stability and have self-seeding potential. HSA dimer is preferable for clinical applications due to its longer retention in circulation and lesser oedema owing to its larger molecular size. Here, HSA was homodimerized via free cysteine-34, without any potentially immunogenic cross-linkers that are usually pre-requisite for homodimerization. Alike the monomer, HSA dimers also aggregated as amyloid, necessitating precautions while using for therapeutics. (C) 2015 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

}, keywords = {Drug carrier, HSA amyloid, Plasma expander, Sarkosyl, Self-seeding}, issn = {0014-5793}, doi = {10.1016/j.febslet.2015.11.004}, author = {Sharma, Neetu and Sivalingam, Vishwanath and Maurya, Sonalika and Prasad, Archana and Khandelwal, Puneet and Yadav, Subhash Chandra and Patel, Basant K.} } @article { ISI:000367722500058, title = {N-Heterocyclic carbene catalyzed oxidative coupling of alkenes/alpha-bromoacetophenones with aldehydes: a facile entry to alpha,beta-epoxy ketones}, journal = {Angewandte Chemie-International Edition}, volume = {54}, number = {47}, year = {2015}, month = {NOV}, pages = {14150-14153}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

{A novel, N-heterocyclic carbene (NHC) catalyzed direct oxidative coupling of styrenes with aldehydes has been described for the synthesis of alpha,beta-epoxy ketones in good yields. This unprecedented regioselective oxidative coupling employs NBS/DBU/DMSO (DBU = 1,8-diazabicyclo [5.4. 0] undec-7-ene

}, keywords = {aldehydes, epoxidation, N-heterocyclic carbenes, Oxidation, synthetic methods}, issn = {1433-7851}, doi = {10.1002/anie.201507363}, author = {Reddi, Rambabu N. and Prasad, Pragati K. and Sudalai, Arumugam} } @article {45937, title = {Nioella nitratireducens gen. nov., sp nov., a novel member of the family Rhodobacteraceae isolated from Azorean Island}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {107}, year = {2015}, month = {FEB}, pages = {589-595}, type = {Article}, abstract = {

A novel Gram-negative, non-spore forming, rod-shaped aerobic bacterium, designated SSW136(T), was isolated from a surface seawater sample collected at Espalamaca (in Faial Island), Azores. Growth was found to occur from 10 to 37 A degrees C, pH 6.0-8.0, and with 2-11 \% of NaCl. 16S rRNA gene sequence indicated that the strain SSW136(T) belongs to the family Rhodobacteraceae. Strain SSW136(T) exhibited 96.3, 95.9, 95.7 and 95.5 sequence similarity to the type strains Oceanicola litoreus M-M22(T), Roseovarius aestuarii SMK-122(T), Marivita geojedonensis DPG-138(T), and Pseudoruegeria aquimaris SW-255(T) respectively. Neighbour-joining and maximum-parsimony phylogenetic trees based on 16S rRNA gene sequences revealed that strain SSW136(T) was affiliated to the family Rhodobacteraceae and formed a separate branch. The G+C content was 63.5 mol\%. The major respiratory quinone was found to be Q-10. The polar lipids of strain SSW136(T) consisted of phosphatidylcholine, phosphatidylethanolamine, phosphatidylglycerol, two unidentified aminolipids and three unidentified phospholipids. The major fatty acids were C-18:1 omega 7c (46.5 \%), Cyclo-C-19:0 omega 8c (16.0 \%) and C-16:0 (12.8 \%). On the basis of the morphological, genotypic, chemotaxonomic characteristics and low DNA-DNA relatedness, strain SSW136(T) is proposed to represent a novel genus and novel species, Nioella nitratireducens gen. nov., sp. nov., in the family Rhodobacteraceae. The type strain is SSW136(T) (=KCTC 32417(T) = NCIM 5499(T)).

}, keywords = {Espalamaca, Nioella nitratireducens, Novel genus and species, Polyphasic taxonomy, Seawater}, issn = {0003-6072}, doi = {10.1007/s10482-014-0355-5}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Yoon, Jung-Hoon and Dastager, Syed Gulam and Liu, Qing and Khieu, Thi-Nhan and Son, Chu Ky and Li, Wen-Jun and Colaco, Ana} } @article { ISI:000365203000041, title = {Non-templated ambient nanoperforation of graphene: a novel scalable process and its exploitation for energy and environmental applications}, journal = {Nanoscale}, volume = {7}, number = {46}, year = {2015}, month = {OCT}, pages = {19705-19713}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Nano-perforation of 2D graphene sheets is a recent and strategically significant means to exploit such materials in modern applications such as energy production and storage. However, current options for the synthesis of holey graphene (hG) through nano-perforation of graphene involve industrially undesirable steps viz., usage of expensive/noble metal or silica nanoparticle templates and/or hazardous chemicals. This severely hampers its scope for large scale production and further exploitation. Herein, we report for the first time a scalable non-templated route to produce hG at ambient conditions. Nano-perforation is achieved with tunable pore size via the simple few layer co-assembly of silicate-surfactant admicelles along the surface of graphene oxide. A gentle alkali treatment and a reduction at optimized conditions readily yielded holey graphene with a remarkable capacitance (similar to 250 F g(-1)) and interesting adsorption abilities for pollutants. Density functional theory based computational studies reveal interesting insights on the template free nano-perforation at a molecular level. This simple rapid process not only excludes the need for expensive templates and harmful chemicals to yield hG at attractively ambient, chemically placid and industrially safer conditions, but also creates no hurdles in terms of scaling up.

}, issn = {2040-3364}, doi = {10.1039/c5nr05715a}, author = {Jhajharia, Suman Kumari and Selvaraj, Kaliaperumal} } @article { ISI:000367421500014, title = {Novel 2,6-diformyl-4-methyl phenol based chemosensor for Zn-II ion by ratiometric displacement of Cd-II ion and its application for cell imaging on human melanoma cancer cells}, journal = {Journal of the Indian Chemical Society}, volume = {92}, number = {11}, year = {2015}, month = {NOV}, pages = {1729-1745}, publisher = {SCIENTIFIC PUBL-INDIA}, address = {5-A, NEW PALI RD, PO BOX 91, NEAR HOTEL TAJ HARI MAHAL, JODHPUR, 342 003, INDIA}, abstract = {

A new chelating ligand [4-methyl-2,6-bis-(pyridin-2-yl-hydrazonomethyl)-phenol] (1) was prepared by the condensation of 2-hydrazinylpyridine with 2,6-diformyl-p-cresol. Compound 1 exhibits weak fluorescence due to intramolecular photoinduced electron transfer (PET). The sensor (1) demonstrates Zn2+-specific emission enhancement due to {\textquoteleft}{\textquoteleft}PET off{\textquoteright}{\textquoteright} process through a 1 : 1 binding mode with the metal ion. The fluorescence quantum yield of the chemosensor 1 is only 0.020, and it increases more than 14-fold (0.280) in the presence of one equivalent of the zinc ion. Interestingly, the introduction of other metal ions causes the fluorescence intensity to remain either unchanged or weakened except for Cd2+. Ratiometric displacement of Cd2+ ion from the complex by Zn2+ ion supports the formation of more stable sensor-Zn2+ complex over the sensor-Cd2+ complex. The experimental findings have been correlated with theoretical results using B3LYP functional and 6-31G(d,p), LANL2DZ basis set for Cd2+ (2) and Zn2+ (3) complex, respectively, by Density Functional Theory (DFT) method. Moreover, the ability of probe 1 to sense Zn2+ within human melanoma cancer cells has been explored, and the Zn2+-probing process in living cells was reversible. [Mn-2(PHMP)(2)](ClO4)(2) (4) and [Ni-2(PHMP)(H2O)(5)](NO3)(3) (5) have been also synthesized and characterized crystallographically and spectroscopically to understand the ligating behavior of the ligand PHMP.

}, keywords = {Cd-II ion, Chemosensor, Density functional theory, human melanoma cancer cells, photoinduced electron transfer, Zn-II ion}, issn = {0019-4522}, author = {Mitra, Debarshan and Venkatathari, N. and Sabharwal, S. C. and Godbole, S. V. and Tyagi, A. K. and Das, Sangbrita} } @article { ISI:000353205000033, title = {Novel hybrid nocodazole analogues as tubulin polymerization inhibitors and their antiproliferative activity}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {25}, number = {9}, year = {2015}, month = {MAY}, pages = {1982-1985}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We describe the design, synthesis and SAR profiling of a series of novel combretastatin-nocodazole conjugates as potential anticancer agents. The thiophene ring in the nocodazole moiety was replaced by a substituted phenyl ring from the combretastatin moiety to design novel hybrid analogues. The hydroxyl group at the ortho position in compounds 2, 3 and 4 was used as the conformationally locking tool by anticipated six-membered hydrogen bonding. The bioactivity profiles of all compounds as tubulin polymerization inhibitors and as antiproliferative agents against the A-549 human lung cancer cell line were investigated Compounds 1 and 4 showed mu M IC50 values in both assays. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Anticancer, Colchicine, Nocodazole, Tubulin binding}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2015.03.019}, author = {Kale, Sangram S. and Jedhe, Ganesh S. and Meshram, Sachin N. and Santra, Manas K. and Hamel, Ernest and Sanjayan, Gangadhar J.} } @article {43056, title = {Nucleophilic fluorination using imidazolium based ionic liquid bearing tert-alcohol moiety}, journal = {New Journal of Chemistry}, volume = {39}, year = {2015}, month = {MAR}, pages = {4368-4374}, doi = {10.1039/C5NJ00481K}, author = {Shinde, Sandip S. and Patil, Sunil N. and Ghatge, Amruta and Kumar, Pradeep} } @article { ISI:000350222400046, title = {One-pot highly enantio- and diastereoselective synthesis of anti,anti vinylic 3-amino-1,2 diols via proline catalyzed sequential alpha-amination/benzoyloxyallylation of aldehydes}, journal = {RSC Advances}, volume = {5}, number = {28}, year = {2015}, month = {FEB}, pages = {21803-21805}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The first direct asymmetric synthesis of anti, anti vinylic 3-amino-1,2-diols from aldehydes is described via a one-pot sequential L-proline catalyzed alpha-amination/benzoyloxyallylation protocol. The reaction proceeds with exceptionally high diastereoselectivity (\>99\%) as can be explained based on the Felkin-Ahn transition state model. Its effectiveness is proven unambiguously by demonstrating a short asymmetric synthesis of D-ribo-phytosphingosine tetraacetate (93\% ee).

}, issn = {2046-2069}, doi = {10.1039/c5ra02830b}, author = {Ahuja, Brij Bhushan and Sudalai, Arumugam} } @article { ISI:000359136500087, title = {Organocatalytic [4+1]-annulation approach for the synthesis of densely functionalized pyrazolidine carboxylates}, journal = {RSC Advances}, volume = {5}, number = {80}, year = {2015}, month = {JUL}, pages = {65554-65559}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel one-pot [4+1]-annulation process for the asymmetric synthesis of densely functionalized pyrazolidine carboxylates is described. The in situ generated gamma-hydrazino-alpha,beta-unsaturated ester obtained via proline catalysis acts as a four-atom component, and Corey{\textquoteright}s sulfur ylide or ethyl bromoacetate acts as a one-atom carbon source to construct pyrazolidine carboxylate units in a highly enantio- and diastereoselective fashion.

}, issn = {2046-2069}, doi = {10.1039/c5ra09583b}, author = {Lalwani, Komal G. and Aher, Ravindra D. and Sudalai, Arumugam} } @article { ISI:000356054600003, title = {Oxidant controlled regio- and stereodivergent azidohydroxylation of alkenes via I-2 catalysis}, journal = {Chemical Communications}, volume = {51}, number = {51}, year = {2015}, month = {APR}, pages = {10276-10279}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel, I-2 catalyzed regio-and stereodivergent vicinal azidohydroxylation of alkenes leading to 1,2-azidoalcohols in high yields (up to 92\%) and excellent dr (up to 98\%) has been developed. This unprecedented transformation employs NaN3 and DMF as N-and O-nucleophiles respectively. The role of DMF as the O-source in the reaction has been unequivocally proven by O-18 labelling studies.

}, issn = {1359-7345}, doi = {10.1039/c5cc02374b}, author = {Prasad, P. K. and Reddi, R. N. and Sudalai, A.} } @article { ISI:000349088000020, title = {Oxidation catalysis by large trisoctahedral gold nanoparticles: Mind the step!}, journal = {Catalysis Today}, volume = {244}, year = {2015}, month = {APR}, pages = {177-183}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

To understand the origin of catalysis by gold and to probe the role of defects and interfaces, benchmark reactions namely CO oxidation and benzyl alcohol oxidation were carried out on supported trisoctahedral gold nanoparticles and on the inverse catalyst system. The sizes of these particles which are between 45 nm and 110 nm, are well beyond the quantum size regime and well above the optimum size range where gold is considered to be catalytically active. The periodic steps sites in contact with oxide support interface were able to promote the reaction. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {CO oxidation, Defects, Gold catalysis, Inverse catalysta, Steps and kinks}, issn = {0920-5861}, doi = {10.1016/j.cattod.2014.02.049}, author = {Sreedhala, S. and Sudheeshkumar, V. and Vinod, C. P.} } @article { ISI:000357805700036, title = {Oxidative addition of the C-I bond on aluminum nanoclusters}, journal = {Nanoscale}, volume = {7}, number = {28}, year = {2015}, month = {JUN}, pages = {12109-12125}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Energetics and the in-depth reaction mechanism of the oxidative addition step of the cross-coupling reaction are studied in the framework of density functional theory (DFT) on aluminum nanoclusters. Aluminum metal in its bulk state is totally inactive towards carbon-halogen bond dissociation but selected Al nanoclusters (size ranging from 3 to 20 atoms) have shown a significantly lower activation barrier towards the oxidative addition reaction. The calculated energy barriers are lower than the gold clusters and within a comparable range with the conventional and most versatile Pd catalyst. Further investigations reveal that the activation energies and other reaction parameters are highly sensitive to the geometrical shapes and electronic structures of the clusters rather than their size, imposing the fact that comprehensive studies on aluminum clusters can be beneficial for nanoscience and nanotechnology. To understand the possible reaction mechanism in detail, the reaction pathway is investigated with the ab initio Born Oppenheimer Molecular Dynamics (BOMD) simulation and the Natural Bond Orbital (NBO) analysis. In short, our theoretical study highlights the thermodynamic and kinetic details of C-I bond dissociation on aluminum clusters for future endeavors in cluster chemistry.

}, issn = {2040-3364}, doi = {10.1039/c5nr02278a}, author = {Sengupta, Turbasu and Das, Susanta and Pal, Sourav} } @article { ISI:000361116500070, title = {Oxidative and membrane stress-mediated antibacterial activity of WS2 and rGO-WS2 nanosheets}, journal = {RSC Advances}, volume = {5}, number = {91}, year = {2015}, month = {AUG}, pages = {74726-74733}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Graphene-based materials have strong cytotoxic attributes against bacteria due to their unique physicochemical properties. We examined the antibacterial activities of nanosheets of the graphene analogue tungsten disulphide (WS2) and a composite of reduced graphene oxide-tungsten disulphide (rGO-WS2), comparing them with reduced graphene oxide (rGO) by a time and concentration dependent viability assay and growth curve studies against four bacterial strains: Gram negative Escherichia coli (E. coli) and Salmonella typhimurium (S. typhimurium), and Gram positive Bacillus subtilis (B. subtilis) and Staphylococcus epidermidis (S. epidermidis). The nanosheets of the rGO-WS2 composite caused a more significant retardation in bacterial growth and inhibitory effect on the tested bacterial strains than WS2, followed by rGO. The tested E. coli and B. subtilis strains were more susceptible than the other strains. A mechanistic study revealed that rGO and WS2 did not produce the superoxide anion (O-2(-)) or reactive oxygen species (ROS), but the nanocomposite of rGO-WS2 did produce both. However, all these materials did oxidize glutathione, which serves as a redox state mediator in bacteria. We conclude that the antimicrobial mechanism is due to the combined effect of initial cell deposition on the rGO-WS2 materials, the membrane stress due to direct contact with the nanosheets, and the produced superoxide anion-independent oxidation mechanisms. The beneficial aspects of the physicochemical properties of rGO-WS2, such as its size and conductivity, can be precisely customized to reduce its health and environmental risk factors.

}, issn = {2046-2069}, doi = {10.1039/c5ra15652a}, author = {Navale, Govinda R. and Rout, Chandra Sekhar and Gohil, Kushal N. and Dharne, Mahesh S. and Late, Dattatray J. and Shinde, Sandip S.} } @conference { ISI:000354845400032, title = {Partial triples excitation to the fock space multi-reference singles and doubles: dipole moment of doublet radicals}, booktitle = {Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010)}, series = {AIP Conference Proceedings}, volume = {1642}, year = {2015}, note = {International Conference of Computational Methods in Sciences and Engineering (ICCMSE), Kos, GREECE, OCT 03-08, 2010}, month = {FEB}, pages = {223-226}, publisher = {European Soc Computat Methods Sci, Engn \& Technol}, organization = {European Soc Computat Methods Sci, Engn \& Technol}, address = {2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {

We present the partial triples effect on the dipole moment of doublet radicals in Lagrangian formulation of Fockspace multi-reference coupled cluster response method(A FSMRCC). This specific scheme uses non-iterative triples, in addition to singles and doubles excitations(A FSMRCCSD(T*)), which accounts for the effects appearing at least at the third order in dipole moment. This method is applied to the ground states of small radicals.

}, keywords = {Dipole moment, Multi-reference, Triples}, isbn = {978-0-7354-1282-8}, issn = {0094-243X}, doi = {10.1063/1.4906657}, author = {Ravichandran, Lalitha and Vaval, Nayana and Pal, Sourav}, editor = {Simos, TE and Maroulis, G} } @article {45882, title = {Pd loaded amphiphilic COF as catalyst for multi-fold Heck reactions, C-C couplings and CO oxidation}, journal = {Scientific Reports}, volume = {5}, year = {2015}, month = {JUN }, pages = {10876}, type = {Article}, abstract = {

COFs represent a class of polymers with designable crystalline structures capable of interacting with active metal nanoparticles to form excellent heterogeneous catalysts. Many valuable ligands/monomers employed in making coordination/organic polymers are prepared via Heck and C-C couplings. Here, we report an amphiphilic triazine COF and the facile single-step loading of Pd-0 nanoparticles into it. An 18-20\% nano-Pd loading gives highly active composite working in open air at low concentrations (Conc. Pd(0) \< 0.05 mol\%, average TON 1500) catalyzing simultaneous multiple site Heck couplings and C-C couplings using {\textquoteleft}non-boronic acid{\textquoteright} substrates, and exhibits good recyclability with no sign of catalyst leaching. As an oxidation catalyst, it shows 100\% conversion of CO to CO2 at 150 degrees C with no loss of activity with time and between cycles. Both vapor sorptions and contact angle measurements confirm the amphiphilic character of the COF. DFT-TB studies showed the presence of Pd-triazine and Pd-Schiff bond interactions as being favorable.

}, issn = {2045-2322}, doi = {10.1038/srep10876}, author = {Mullangi, Dinesh and Nandi, Shyamapada and Shalini, Sorout and Sreedhala, Sheshadri and Vinod, Chathakudath P. and Vaidhyanathan, Ramanathan} } @article { ISI:000349669300018, title = {Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {8}, year = {2015}, month = {DEC}, pages = {2323-2329}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The inner-rim functionalization of CTV has been examined by employing Pd-catalyzed benzylic oxidation. The outcome of the oxidation depends upon the solvent and co-oxidants employed. An interesting array of CTV derivatives has been synthesized with a simple change in the conditions.

}, issn = {1477-0520}, doi = {10.1039/c4ob02469a}, author = {Senthilkumar, B. and Gonnade, Rajesh G. and Ramana, C. V.} } @article { ISI:000359166300001, title = {Penicillin V acylase from pectobacterium atrosepticum exhibits high specific activity and unique kinetics}, journal = {International Journal of Biological Macromolecules}, volume = {79}, year = {2015}, month = {AUG}, pages = {1-7}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Penicillin V acylases (PVAs, E.C.3.5.11) belong to the Ntn hydrolase super family of enzymes that catalyze the deacylation of the side chain from phenoxymethyl penicillin (penicillin V). Penicillin acylases find use in the pharmaceutical industry for the production of semi-synthetic antibiotics. PVAs employ the N-terminal cysteine residue as catalytic nucleophile and are structurally and evolutionarily related to bile salt hydrolases (BSHs). Here, we report the cloning and characterization of a PVA enzyme from the Gram-negative plant pathogen, Pectobacterium atrosepticum (PaPVA). The enzyme was cloned and expressed in Escherichia coli attaining a very high yield (250 mg/l) and a comparatively high specific activity (430 IU/mg). The enzyme showed marginally better pH and thermo-stability over PVAs characterized from Gram-positive bacteria. The enzyme also showed enhanced activity in presence of organic solvents and detergents. The enzyme kinetics turned out to be significantly different from that of previously reported PVAs, displaying positive cooperativity and substrate inhibition. The presence of bile salts had a modulating effect on PaPVA activity. Sequence analysis and characterization reveal the distinctive nature of these enzymes and underscore the need to study PVAs from Gram-negative bacteria. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Cooperative, Enzyme kinetics, Gram-negative, Penicillin V acylase, Substrate inhibition}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2015.04.036}, author = {Avinash, Vellore Sunder and Ramasamy, Sureshkumar and Suresh, C. G. and Pundle, Archana} } @article { ISI:000353221100023, title = {Perturbations in inter-domain associations may trigger the onset of pathogenic transformations in PrPC: insights from atomistic simulations}, journal = {Molecular Biosystems}, volume = {11}, number = {5}, year = {2015}, month = {MAR}, pages = {1443-1453}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Conversion of the predominantly alpha-helical cellular prion protein (PrPC) to the misfolded beta-sheet enriched Scrapie form (PrPSc) is a critical event in prion pathogenesis. However, the conformational triggers that lead to the isoform conversion (PrPC to PrPSc) remain obscure, and conjectures about the role of unusually hydrophilic, short helix H1 of the C-terminal globular domain in the transition are varied. Helix H1 is anchored to helix H3 via a few stabilizing polar interactions. We have employed fully atomistic molecular dynamics simulations to study the effects triggered by a minor perturbation in the network of these non-bonded interactions in PrPC. The elimination of just one of the key H1-H3 hydrogen bonds led to a cascade of conformational changes that are consistent with those observed in partially unfolded intermediates of PrPC, with pathogenic mutations and in low pH environments. Our analyses reveal that the perturbation results in the enhanced conformational flexibility of the protein. The resultant enhancement in the dynamics leads to overall increased solvent exposure of the hydrophobic core residues and concomitant disruption of the H1-H3 inter-domain salt bridge network. This study lends credence to the hypothesis that perturbing the cooperativity of the stabilizing interactions in the PrPC globular domain can critically affect its dynamics and may lead to structural transitions of pathological relevance.

}, issn = {1742-206X}, doi = {10.1039/c4mb00689e}, author = {Menon, Sneha and Sengupta, Neelanjana} } @article { ISI:000353058700025, title = {Polarity issues in room temperature ionic liquids}, journal = {Clean Technologies and Environmental Policy}, volume = {17}, number = {4}, year = {2015}, month = {APR}, pages = {1111-1116}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The study on ionic liquids has occupied an important place in chemical processes because of several beneficial properties. In order to use these ionic liquids as solvent media in chemical processes, it is essential to know their solvent properties. In this review, an attempt has been made to critically evaluate and discuss the polarity parameters of ionic liquids. The experimental polarity data on ionic liquids are not yet available for numerous ionic liquids. This review will serve as a guideline to investigate polarity issues of these materials and emerge with a simple, but still sound theoretical or semi-empirical models to account for the variation in polarity in the ionic liquid solutions.

}, issn = {1618-954X}, doi = {10.1007/s10098-014-0864-y}, author = {Shukla, Shashi Kant and Kumar, Anil} } @article { ISI:000350856400003, title = {Polybenzimidazole based polymeric ionic liquids (PILs): effects of controlled degree of N-quaternization on physical and gas permeation properties}, journal = {Journal of Membrane Science}, volume = {481}, year = {2015}, month = {MAY}, pages = {19-27}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Polymeric ionic liquids (PILs) are gaining increasing attention as potential membrane materials to be employed for CO2 separation. With a goal to improve gas permeability, this work presents a series of film forming PlLs obtained by controlled degree of N-quaternization (DQ) of PBI-BuI using a bulky 4-tertbutylbenzyl group. Concurrent effects of variation in ionic content and bulky group substitution were analyzed for physical and gas permeation properties of the resulting PILs. Attempted structural variations leading to simultaneous increments in ionic content and bulky groups offered amorphous polymers with acceptable thermal stability and non-monotonous chain packing density. Enhancement in pure gas permeability coupled with appreciable selectivity for various gas pairs was in accordance with the packing density variations in the series. Gas permeability showed maxima at DQ of just 13\%. This conveyed that effects of bulky group substitution in retarding chain packing are overcome by attractive ionic interactions at much lower DQ in these PILs ionic interactions are thus more predominant in governing chain packing and gas permeation properties. These PILs possessed 3.3-20 times higher CO2 permeability in comparison to their parent PBI-BuI, without a significant loss in selectivity. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Degree of quaternization, Gas permeation, Polybenzimidazole, Polymeric ionic liquid}, issn = {0376-7388}, doi = {10.1016/j.memsci.2015.02.004}, author = {Rewar, Anita S. and Bhavsar, Rupesh S. and Sreekumar, K. and Kharul, Ulhas K.} } @article {45933, title = {Polybenzimidazole-based polymeric ionic liquids (PILs): effects of {\textquoteleft}substitution asymmetry{\textquoteright} on CO2 permeation properties}, journal = {Journal of Membrane Science}, volume = {493}, year = {2015}, month = {NOV }, pages = {403-413}, type = {Article}, abstract = {

Polymeric Ionic Liquids (PILs) are being considered as promising membrane materials for CO2 separation. Present work aims at investigating effects substitution asymmetry on imidazole moiety of two structurally different polybenzimidazoles (PBI-BuI and PBI-HFA) on physical, gas sorption and transport properties of the resulting film forming PILs possessing symmetric substitution, while keeping one of the N-substituent as methyl group. PILs were obtained with high degree of substitution. The halide anion of these PILs was exchanged with BF4-, Tf-2(N) over bar and HF (B) over bar anions. Effects of substituents, cationic backbone and type of anions on gas permeation properties of PILs using pure gases (He, H-2, N-2 and CO2) were examined at 20 atm upstream pressure and correlated with their physical properties. Combination of typical ionic liquid character (effective towards enhancing CO2 sorption) and looser chain packing (ease in gas diffusion) offered improved CO2 permeation characteristics. As an outcome, some of the PILs exhibited higher CO2 permeation than that of hydrogen, typically known as {\textquoteleft}reverse selectivity{\textquoteright}. These asymmetrically substituted PILs enhanced not only the gas permeability, but also selectivity than their symmetrically substituted counterparts. (C) 2015 Elsevier B.V. All rights reserved.

}, issn = {0376-7388}, doi = {10.1016/j.memsci.2015.07.020}, author = {Shaligram, Sayali V. and Wadgaonkar, Prakash P. and Kharul, Ulhas K.} } @article { ISI:000351556100059, title = {Polyelectrolytes in dilute solution: viscometric access to coil dimensions and salt effects}, journal = {RSC Advances}, volume = {5}, number = {35}, year = {2015}, month = {MAR}, pages = {27674-27681}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Copolymers of acrylamide (AM) and diallyldimethylammonium chloride (DADMAC), differing in molar masses M (52.3 to 227 kDa) and degrees of charging y (0.2 to 0.6), were studied with respect to their viscometric behavior in dilute aqueous solutions containing variable amounts of NaCl. Complementary measurements were performed on a Brookhaven 90 plus particle size analyzer. M dominates the intrinsic viscosities [eta]. For the viscometric interaction parameters B this is only true for large concentrations of extra salt. [eta] and B as a function of solvent salinity follow Boltzmann laws. Coil dimensions, determined either via dynamic light scattering or viscometry, agree well. For low salt contents of the solvent the radii decrease with rising polymer concentration, whereas they increase for high salt concentrations; at a characteristic salinity of the solvent they become independent. Zeta potentials grow from +20 to +40 mV as y goes up.

}, issn = {2046-2069}, doi = {10.1039/c5ra01376c}, author = {Suresha, P. R. and Badiger, Manohar V. and Wolf, Bernhard A.} } @article { ISI:000365205000004, title = {Pore surface engineering in porous, chemically stable covalent organic frameworks for water adsorption}, journal = {Journal of Materials Chemistry A}, volume = {3}, number = {47}, year = {2015}, month = {NOV}, pages = {23664-23669}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we have explored the possibility of a class of covalent organic frameworks (COFs) as water adsorbing materials. We have selected, synthesized 12 chemically stable functionalized Schiff base COFs and thoroughly studied their water uptake behaviour. Further, a deep understanding was developed with these COFs towards the effects of condensation pressure of water and hydrophilic/hydrophobic groups present in the COF pores on water absorption capacity and ultimately, their recyclability. Among all reported COFs, TpPa-1 shows the highest water uptake of 30 wt\% (368 cm(3) g(-1); 17 mmol g(-1)) at P/P-0 = 0.3, which is also comparable with the recently reported carbon materials and few well known MOFs. This study also reveals that the overall water uptake of COFs can be tuned systematically based on chemical functionality and pore size in a wider window of relative pressures.

}, issn = {2050-7488}, doi = {10.1039/c5ta07998e}, author = {Biswal, Bishnu P. and Kandambeth, Sharath and Chandra, Suman and Shinde, Digambar Balaji and Bera, Saibal and Karak, Suvendu and Garai, Bikash and Kharul, Ulhas K. and Banerjee, Rahul} } @article { ISI:000346339500005, title = {Possible mechanism of antifungal phenazine-1-carboxamide from pseudomonas sp against dimorphic fungi Benjaminiella poitrasii and human pathogen Candida albicans}, journal = {Journal of Applied Microbiology}, volume = {118}, number = {1}, year = {2015}, month = {JAN}, pages = {39-48}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

AimInvestigation of antifungal mechanism of phenazine 1-carboxamide (PC) produced by a Pseudomonas strain MCC2142. Methods and ResultsAn antifungal metabolite produced by a Pseudomonas was purified and identified as PC. Human pathogenic fungi such as Candida albicans, Candidaglabrata, Cryptococcus neoformans, Fusarium oxysporum, Aspergillus fumigatus and Aspergillus niger were found to be inhibited by PC (MIC90 32-64gml(-1)). Addition of PC (20gml(-1)) during yeast (Y)-hypha (H) transitions inhibited germ tube formation by \>90\% and \>99\% in C.albicans National Collection of Industrial Microorganisms (NCIM) 3471 and nonpathogenic model Benjaminiella poitrasii, respectively. After exposure to PC (20gml(-1)), 75-80\% yeast cells of B.poitrasii and C.albicans NCIM 3471 showed rhodamine 123 fluorescence indicating high intracellular reactive oxygen species (ROS) production. ROS further led to hyperpolarization of mitochondrial membrane, subsequently induction of apoptosis as evident by externalization of phosphatidylserine, DNA fragmentation, chromatin condensation and finally death in B.poitrasii. In C.albicans NCIM 3471, PC (20gml(-1)) induced apoptosis. ConclusionsThe antifungal effect of PC in B.poitrasii and C.albicans may be due to ROS-mediated apoptotic death. Significance and Impact of the StudyInhibition of Y-H transition of B.poitrasii and C.albicans by PC indicates that it may prove useful in the control of dimorphic human pathogens.

}, keywords = {Apoptosis, Candida albicans, dimorphism, phenazines, Pseudomonas sp, reactive oxygen species}, issn = {1364-5072}, doi = {10.1111/jam.12675}, author = {Tupe, S. G. and Kulkarni, R. R. and Shirazi, F. and Sant, D. G. and Joshi, Swati P. and Deshpande, Mukund V.} } @article {45926, title = {Potential applications of glucosyltransferases in terpene glucoside production: impacts on the use of aroma and fragrance}, journal = {Applied Microbiology and Biotechnology}, volume = {99}, year = {2015}, month = {JAN}, pages = {165-174}, type = {Article}, abstract = {

The detection of glucoconjugated forms of monoterpene alcohols in rose petals in the late 1960s opened the new field of nonvolatile aroma precursors in flavor research. It is now well established that odorless glycosides represent a significant pool of aroma precursors in plants where they act as preformed but inactivated defense or attractive chemicals. Technical improvements in the separation and identification of plant secondary metabolites have provided a multitude of chemical structures, but functional characterization of glycosyltransferases that catalyze their formation lags behind. As technical efforts and costs for DNA sequencing dramatically dropped during the last decade, the number of plant genome sequences increased significantly, thus providing opportunities to functionally characterize the glycosyltransferase gene families in plants. These studies yielded the first glycosyltransferase genes that encode efficient biocatalysts for the production of monoterpene glucosides. They have applications in the food, feed, chemical, cosmetic, and pharmaceutical industries as slow release aroma chemicals.

}, issn = {0175-7598}, doi = {10.1007/s00253-014-6229-y}, author = {Schwab, Wilfried and Fischer, Thilo C. and Giri, Ashok and Wuest, Matthias} } @article { ISI:000353754000021, title = {Preparation and characterization of self-photostabilizing UV-durable bionanocomposite membranes for outdoor applications}, journal = {Carbohydrate Polymers}, volume = {123}, year = {2015}, month = {JUN}, pages = {164-173}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Here, we report a durable and ultraviolet (UV) resistant nanocomposite membrane of chitosan (CS) with effective photostabilization ascribed to Zinc oxide (ZnO) nanoparticles. Zinc oxide nanoparticles were successfully dispersed in the solution of chitosan polymer. The nanocomposite films with the homogenous dispersion of ZnO nanoparticles in the chitosan matrix were obtained by solution casting method and the influence of ZnO nanoparticles as a photostabilizer was studied. The nanocomposite membranes were photoirradiated by polychromatic radiations with lambda \> 300 nm using mercury vapour lamps in SEPAP instrument. The resulting nanocomposite material exhibited excellent UV-resistance in very low percentages of ZnO nanoparticles. The chitosan membranes showed fast degradation attributes than the nanocomposite membranes. ZnO nanoparticles effectively absorbed UV radiations, thus protecting polymer from radiation degradation. The neat and irradiated nanocomposites of chitosan and ZnO nanoparticles (CS/ZnO) were characterized by Fourier Transform Infrared Spectroscopy (FT-IR) spectroscopy for the chemical changes/degradation taking place. Chitosan nanocomposites were further characterized for tensile properties, contact angle measurements and surface morphology. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Bionanocomposite membrane, Chitosan, Contact angle measurement, Fourier transform infrared spectroscopy, Photostabilization, Zinc oxide nanoparticles}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2014.12.062}, author = {Kushwaha, Omkar S. and Avadhani, C. V. and Singh, R. P.} } @article { ISI:000354028700005, title = {Preparation of Ag(Shell)-Au(Core) nanoparticles by anti-galvanic reactions: are capping agents the {\textquoteleft}{\textquoteleft}real heroes{\textquoteright}{\textquoteright} of reduction?}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {478}, year = {2015}, month = {AUG}, pages = {30-35}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The formation of Ag(shell)-Au(core) nanoparticles by the reduction of Ag+ ions on preformed Au NPs, mediated by the capping agents like dodecylamine is described. We clearly established that while monodisperse Ag(shell)-Au(core) structures can be formed in presence of weak surface binding ligands such as amines, strong binding ligands such as thiols, lead to formation of separate monometallic Au and Ag particles. Apart from highlighting the influence of metal-ligand binding strength on the formation of core-shell nanoparticle architectures, our study also provides an easy means to produce Ag( shell)-Au( core) structures. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Ag(shell)-Au(core) nanoparticles, Anti-Galvanic reactions}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2015.03.028}, author = {Sahu, Puspanjali and Bhagavatula L. V. Prasad} } @article { ISI:000355940900018, title = {Production of polyunsaturated fatty acids in recombinant lipomyces starkeyi through submerged fermentation}, journal = {Bioprocess and Biosystems Engineering}, volume = {38}, number = {7}, year = {2015}, month = {JUL}, pages = {1407-1414}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Long chain polyunsaturated fatty acids (LCPUFA) are known to play an important role in human health and nutrition. Considering the limitation of LCPUFA sources, it is necessary to search new avenues for their production. Oleaginous yeasts are an attractive target for harvesting single cell oil, mainly because of the ease of cultivation with cheaper raw material. Lipomyces starkeyi is one such oleaginous yeast, which can accumulate oil to the extent of 60 \% of its biomass and where genetic transformation can be achieved. In our earlier work, Delta 15 desaturase gene (AEP37840) from flax was transformed into L. starkeyi. In the present work, we report optimization of medium for the production of omega-3 enriched oil from this transformed yeast. A basic medium containing 20 g/l glucose as a carbon source and 10 g/l yeast extract as a nitrogen source was used during fermentation. At regular time intervals, glucose was fed to maintain high C:N ratio (65:10) during fermentation. Under the most favorable conditions, dry biomass and total lipid content were 18 and 7.29 g/l, respectively. Prior to genetic transformation, L. starkeyi contained 56.03 mg/l DHA along with 71.4 mg/l EPA and 42.2 mg/l ALA. Genetic engineering of this yeast resulted in a strain that produced 1080 mg/l DHA (17.4 \%) along with 74.28 mg/l EPA and 126.72 mg/l ALA possibly through modification of PUFA biosynthetic pathway. To the best of our knowledge, this is a first report of DHA enrichment and opens up avenues for LCPUFA production through L. starkeyi.

}, keywords = {Fermentation, LCPUFA, Lipid production, Oleaginous yeast}, issn = {1615-7591}, doi = {10.1007/s00449-015-1382-y}, author = {Salunke, Devyani and Manglekar, Rupali and Gadre, Ramchandra V. and Nene, Sanjay and Harsulkar, Abhay M.} } @article { ISI:000350056800015, title = {Proline-catalyzed alpha-aminooxylation of beta-amino aldehydes: access to enantiomerically pure syn- and anti-3-amino-3-aryl-1,2-alkanediols}, journal = {Synlett}, volume = {26}, number = {3}, year = {2015}, month = {FEB}, pages = {355-358}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A new synthetic method for enantioselective synthesis of syn 3-amino-3-aryl-1,2-alkanediols via praline catalyzed alpha-aminaoxn y ylation of beta-amino aldehydes des are described. This methodology is successfully applied to a concise and protecting group-free asymmetric synthesis of (-)-cytoxazone (+)-epi-cytoxazone and formal synthesis of N-thiolated 2-oxazolidinone.

}, keywords = {amino aldehydes, Asymmetric synthesis, catalysis, diastereoselectivity, Enantioselectivity, Natural product}, issn = {0936-5214}, doi = {10.1055/s-0034-1379735}, author = {Venkataramasubramanian, V. and Kiran, I. N. Chaithanya and Sudalai, Arumugam} } @article { ISI:000349934600083, title = {Proline-catalyzed sequential syn-mannich and [4+1]-annulation cascade reactions to form densely functionalized pyrrolidines}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {3}, year = {2015}, month = {FEB}, pages = {2024-2031}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A highly efficient one-pot [4 + 1]-annulation process for the asymmetric synthesis of densely functionalized pyrrolidine derivatives is described. The in situ generated syn-Mannich adduct obtained via proline catalysis acts as a four-atom component, and Coreys sulfur ylide or ethyl bromoacetate acts as a one-atom carbon source to construct pyrrolidine units in a highly enantio- and diastereoselective manner.

}, issn = {0022-3263}, doi = {10.1021/jo5028886}, author = {Aher, Ravindra D. and Kumar, B. Senthil and Sudalai, Arumugam} } @article { ISI:000359031400006, title = {Propensity of self-assembled leucine-lysine diblock copolymeric alpha-helical peptides to remain in parallel and antiparallel alignments in water}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {30}, year = {2015}, month = {JUL}, pages = {9520-9531}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Molecular dynamics Simulation study of alpha-helical diblock copolypeptides: preassembled in parallel and antiparallel alignments in water are presented. The assembled peptide lamellar structures were not disrupted even: after performing three step simulation protocols. Primarily hydrogen bonds between peptide are responsible for the stability: The analysis of the trajectory also suggests that Water plays a significant role in favoring self assembly We have detected continuous hydrogen bonded network structure, which is further responsible for the stability Of the lamellar structures. We have performed a detailed analysis of the hydrogen bonded network structure and its length. Further, free energy calculations revealed that the degree of stability for both lamellae are similar. The present study provides structural insight into the stability of self-assembled structures of block copolypeptides.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b02258}, author = {Sarkar, Sujit and Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000362436800013, title = {Pt-nanoparticle functionalized carbon nano-onions for ultra-high energy supercapacitors and enhanced field emission behaviour}, journal = {RSC Advances}, volume = {5}, number = {99}, year = {2015}, month = {SEP}, pages = {80990-80997}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In the present work, we have investigated the charge storage capacitive response and field emission behaviour of platinum (Pt) nanoparticles decorated on carbon nano onions (CNOs) and compared them with those of pristine carbon nano onions. The specific capacitance observed for Pt-CNOs is 342.5 F g(-1), about six times higher than that of pristine CNOs, at a scan rate of 100 mV s(-1). The decoration with Pt nanoparticles, without any binder or polymer separator on the CNO, leading to enhanced supercapacitance is due to easy accessibility of Na2SO4 electrolyte in the active material. The Density Functional Theory (DFT) calculations of these systems reveal enhancement in the Density of States (DOS) near the Fermi energy (E-F) on account of platinum decoration on the CNOs. Furthermore, the field emission current density of similar to 0.63 mA cm(-2) has been achieved from the Pt-CNOs emitter at an applied electric field of similar to 4.5 V mu m(-1) and from the pristine CNOs sample current density of similar to 0.4 mA cm(-2) has been achieved at an applied electric field of similar to 6.6 V mu m(-1). The observed enhanced field emission behavior has been attributed to the improved electrical conductivity and increased emitting sites of the Pt-CNO emitter. The field emission current stability of the Pt-CNO emitter over a longer duration is found to be good. The observed results imply multifunctional potential of Pt-CNOs, as supercapacitor material in various next generation hybrid energy storage devices, and field emitters for next generation vacuum nano/microelectronic devices.

}, issn = {2046-2069}, doi = {10.1039/c5ra12364j}, author = {Suryawanshi, Sachin R. and Kaware, Vaibhav and Chakravarty, Disha and Walke, Pravin S. and More, Mahendra A. and Joshi, Kavita and Rout, Chandra Sekhar and Late, Dattatray J.} } @article { ISI:000364314500010, title = {Pulsed laser-driven molecular self-assembly of cephalexin: aggregation-induced fluorescence and its utility as a mercury ion sensor}, journal = {Photochemistry and Photobiology}, volume = {91}, number = {6}, year = {2015}, month = {NOV}, pages = {1340-1347}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A fluorescent self-assembly of cephalexin is obtained by pulsed laser irradiation process. An intense fluorescence emission is found in the self-assembled form due to occurrence of a typical aggregation-induced emission in cephalexin molecules. It is observed that fluorescence quenching of the self-assembled fluorescent nanostructures occurs in the presence of extremely low Hg++ ions concentrations (10(-7) M) as compared to other heavy metal ions e.g. Ferrous (Fe++), Manganese (Mn++), Magnesium (Mg++), Cobalt (Co++), Nickel (Ni++) and Zinc (Zn++) at the same concentrations.

}, issn = {0031-8655}, doi = {10.1111/php.12526}, author = {Singh, Pradeep Kumar and Prabhune, Asmita and Ogale, Satishchandra} } @conference {42972, title = {Purification and characterization of an agglutinin from datura innoxia with antineoplastic activity}, booktitle = {National Science Day, At CSIR-NCL}, year = {2015}, month = {FEB}, address = {CSIR-National Chemical Laboratory, Pune 411008, India}, abstract = {

Lectins are carbohydrate binding proteins of non-immune origin. Due to their multivalency, lectins can be easily detected using agglutination. Lectins are reported to induce cytotoxicity or inhibition of growth in various cancer cells., hence good therapeutic startegy against cancer. Factors such as specificity, stability, assay rapidity, and costs combine to make lectins attractive diagnostic reagents. Datura innoxia belongs to family of Solanaceae.All parts of the plant are hallucinogenic, hypnotic and narcotic. Application: at low dose acts as pain killer, relieves asthma and rheumatism.

}, author = {Singh, Ruby and Nawale, Laxman and Gaikwad, Sushama M. and Suresha, C. G.} } @article { ISI:000356251500001, title = {Qualitative and quantitative proteomic analysis of vitamin C induced changes in mycobacterium smegmatis}, journal = {Frontiers in Microbiology}, volume = {6}, year = {2015}, month = {MAY}, pages = {Article Number: 451}, publisher = {FRONTIERS RESEARCH FOUNDATION}, address = {PO BOX 110, LAUSANNE, 1015, SWITZERLAND}, abstract = {

Vitamin C is a critical dietary nutrient in human which has a wide range of regulatory effects on gene expression and physiology of Mycobacterium tuberculosis that leads to a dormant drug-tolerant phenotype. In the presence of iron, vitamin C shows a high bactericidal activity even in the drug resistant phenotype of M. tuberculosis. The regulatory mechanisms underlying vitamin C induced adaptations are largely unknown due to lack of functional genomics data in this field. In this study, we attempt to characterize the direct effect of vitamin C treatment on the physiology of actively growing Mycobacterium smegmatis. The study chose M. smegmatis as it is a fast-growing bacterium and a non-pathogenic model system which shares many physiological features with the pathogenic M. tuberculosis including dormancy and its regulation. The proteomic adaptation of M. smegmatis on vitamin C treatment demonstrates the important changes in cellular and metabolic process such as reversal of tricarboxylic acid cycle, decrease in ATP synthesis, decrease in iron acquisition and storage, and induction of dormancy regulators WhiB3, PhoP, and Lsr2.

}, keywords = {dormancy, Mycobacterium smegmatis, proteomics, tuberculosis, vitamin C}, issn = {1664-302X}, doi = {10.3389/fmicb.2015.00451}, author = {Mishra, Abhishek and Sarkar, Dhiman} } @conference {42952, title = {Quantitative, automated, high content screening assay approach to anti-angiogenicdrug discovery}, booktitle = {National Science Day, At CSIR-NCL}, year = {2015}, month = {FEB}, address = {Combi Chem-Bio Resource Center, OCD, National Chemical Laboratory, Pune - 411 008}, abstract = {

Angiogenesisenhancescancer,maculardegeneration,etc.. Currentangiogenicassays--indirect,manual,timeconsuming,laborintensive,difficulttoquantify,andexpensive. Wedevelopedanautomated,quantitative,HighContentScreeningangiogenictubeformationassaywouldbenefitdrugdiscoveryforseveraltherapeuticareas. Humanendothelialcellswereseededwithpro-oranti-angiogeniccompoundsonaMatrigelTMlayerina96-wellplate.Afterangiogenictubesformation,thepositivecontrolsandthetestsampleswerefixed,fluorescentlylabeled,automaticallyimagedonCellomics{\textquoteright}ArrayScan{\textregistered}HCSReader,andquantitativelyanalyzedon-the-flybytheTubeFormationBioApplicationsoftwaremodule. Multiplefeaturesrelevantforangiogenesisandangiogenictubeformationwereautomaticallymeasured. Thisrobustandreliableassaythusenabledthelarge-scale,quantitative,screeningandcharacterizationofcompoundsaffectingbothpro-andanti-angiogenicpathways.

}, author = {Nawale, Laxman and Sarkar, Dhiman} } @article {42925, title = {Rapid characterization of oxidative deterioration in edible oil by optical photospectrometry}, journal = {Journal of Food and Dairy Technology}, volume = {3}, year = {2015}, month = {APR}, abstract = {

This research work aimed to investigate the kinetic reaction of reused cooking oil and find the optimum conditions of its process. The feedstock was collected from the commercially available sunflower oil. Our investigation shows that the kinetic reaction of reused sunflower oil (auto-oxidation) obtained in terms of variation of absorption coefficient of unexposed sunflower as 0.05 while the exposed sunflower had 0.075. The optimum condition from optical absorption spectroscopy investigations were obtained as 0.267 for unexposed sunflower oil and 0.194 for exposed sunflower oil at room temperature. Furthermore, our FTIR spectroscopic results obtained are accurate and precise enough for such detection such as free fatty acid (FFA ~ 26\%), acid ~ 53\% and saponification ~ 192\% get reduce in exposed oil was investigated.

}, author = {More, Pravin S. and Shelke, Anil V. and Late, Dattatray J.} } @article { ISI:000362679300035, title = {Rapid conductometric sensor for the analysis of cyanide using imidazole based receptor}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {40}, year = {2015}, month = {SEP}, pages = {26790-26796}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A specific and efficient hydrogen bonding interaction between cyanide and the HN-H [imidazole] in an aqueous medium has been utilized for the selective recognition of cyanide under physiological conditions. The possibility of utilizing such an interaction for developing any practical device for the specific detection of cyanide in an aqueous environment has not been explored to date. We now report a simple dip and read conductometric sensor for cyanide ions using a tailored electrode in aqueous media. The purpose built reagent, 2-phenyl-1H-anthra-[2,3-d]-immidazole-5,10 dione was immobilized in a polyaniline matrix to fabricate this conductometric device. The homogeneous immobilization of the receptor in polyaniline was confirmed by FT-IR mapping. The proposed transduction mechanism is charge neutralization on the polyaniline moiety, which ultimately inhibits the protonation resulting in a decrease in the conductance of polyaniline. The sensor response was measured in three ranges of cyanide concentration (10(-10) M to 10(-8) M; 10(-8) M to 10(-6) M and 10(-6) M to 10(-3) M). Whereas the device is found insensitive in the first range, it acts as a detector in the second range and as a proportional sensor in the third range. The minimum detection limit of this device was found to be 10 nmol L-1 (2.6 ppt), which is significantly less than the WHO guideline values. The responses have been investigated under various conditions such as different pH and the electrochemical state of the polymer. The current device has been found to be better close to neutral pH and at a 400 mV vs. Ag/AgCl potential. The reproducibility and repeatability of the sensor was investigated and interference studies were performed.

}, issn = {1463-9076}, doi = {10.1039/c5cp03773e}, author = {Paul, Anirban and Perween, Mosarrat and Saha, Sukdeb and Srivastava, Divesh N. and Das, Amitava} } @article { ISI:000356515900042, title = {Rational approach towards enhancing solar water splitting: a case study of Au-RGO/N-RGO-TiO2}, journal = {Nanoscale}, volume = {7}, number = {25}, year = {2015}, month = {MAY}, pages = {11206-11215}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A rational approach was employed to enhance the solar water splitting (SWS) efficiency by systematically combining various important factors that helps to increase the photocatalytic activity. The rational approach includes four important parameters, namely, charge generation through simulated sunlight absorption, charge separation and diffusion, charge utilization through redox reaction, and the electronic integration of all of the above three factors. The complexity of the TiO2 based catalyst and its SWS activity was increased systematically by adding reduced graphene oxide (RGO) or N-doped RGO and/or nanogold. Au-N-RGO-TiO2 shows the maximum apparent quantum yield (AQY) of 2.46\% with a H-2 yield (525 mu mol g(-1) h(-1)) from aqueous methanol, and overall water splitting activity (22 mu mol g(-1) h(-1); AQY = 0.1\%) without any sacrificial agent under one sun conditions. This exercise helps to understand the factors which help to enhance the SWS activity. Activity enhancement was observed when there is synergy among the components, especially the simulated sunlight absorption (or one sun conditions), charge separation/conduction and charge utilization. Electronic integration among the components provides the synergy for efficient solar light harvesting. In our opinion, the above synergy helps to increase the overall utilization of charge carriers towards the higher activity.

}, issn = {2040-3364}, doi = {10.1039/c5nr02613j}, author = {Bharad, Pradnya A. and Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S.} } @article { ISI:000362890300003, title = {Rational drug design, synthesis and biological evaluation of dihydrofolate reductase inhibitors as antituberculosis agents}, journal = {Future Medicinal Chemistry}, volume = {7}, number = {8}, year = {2015}, month = {JUN}, pages = {979-988}, publisher = {FUTURE SCI LTD}, address = {UNITED HOUSE, 2 ALBERT PL, LONDON, N3 1QB, ENGLAND}, abstract = {

Background: A series of 2,4-diamino-s-triazines was designed, with potential for activity against Mycobacterium tuberculosis (Mtb) dihydrofolate reductase enzyme, on the basis of virtual screening results and structure-based drug design. Results: The compounds were evaluated against Mtb (H(37)Rv) and their cytotoxicity was assessed using VERO cell lines. Of particular note, two compounds were found to have the most promising antituberculosis activity (6b minimum inhibitory concentration: 1.76 mu M and 6i minimum inhibitory concentration: 1.57 mu M) along with low cytotoxicity (CC50 : \> 300 mu M). The enzyme assay results of these two indicated significant inhibition of Mtb dihydrofolate reductase along with selectivity. Selected derivatives were tested against dormant tubercle bacilli in vivo and ex vivo indicating potential inhibition. Conclusion: This study provides promising antituberculosis dihydrofolate reductase inhibitors that can act as potential leads for further development.

}, issn = {1756-8919}, doi = {10.4155/FMC.15.48}, author = {Tawari, Nilesh R. and Bag, Seema and Raju, Archana and Lele, Arundhati C. and Bairwa, Ranjeet and Ray, Mukti Kanta and Rajan, M. G. R. and Nawale, Laxman U. and Sarkar, Dhiman and Degani, Mariam S.} } @article { ISI:000350842300005, title = {Recent developments in solar H-2 generation from water splitting}, journal = {Journal of Chemical Sciences}, volume = {127}, number = {1}, year = {2015}, month = {JAN}, pages = {33-47}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Hydrogen production from water and sunlight through photocatalysis could become one of the channels, in the not-so-distant future, to meet a part of ever growing energy demands. However, accomplishing solar water splitting through semiconductor particulate photocatalysis seems to be the {\textquoteleft}Holy Grail{\textquoteright} problem of science. In the present mini-review, some of the critical strategies of semiconductor photocatalysis are focused with the aim of enumerating underlying critical factors such as visible light harvesting, charge carrier separation, conduction and their utilization that determine the quantum efficiency. We attempted to bring out the essential requirements expected in a material for facile water splitting by explaining important and new designs contributed in the last decade. The newly emerged designs in semiconductor architecture employing nanoscience towards meeting the critical factors of facile photocatalysis are elucidated. The importance of band gap engineering is emphasized to utilize potential wide band gap semiconductors. Assistance of metal nanostructures and quantum dots to semiconductors attains vital importance as they are exuberant visible light harvesters and charge carrier amplifiers. Benevolent use of quantum dots in solar water splitting and photoelectrochemical water splitting provides scope to revolutionize the quantum efficiency by its multiple exciton generation features. A list of drawbacks and issues that hamper the much needed breakthrough in photocatalysis of water splitting is provided to invite attention to address them and move towards sustainable water splitting.

}, keywords = {Hydrogen, nanomaterial, Photocatalysis, quantum dot, Semiconductor, visible light, water splitting}, issn = {0974-3626}, doi = {10.1007/s12039-014-0747-0}, author = {Rajaambal, Sivaraman and Sivaranjani, Kumarsrinivasan and Gopinath, Chinnakonda S.} } @article { ISI:000363416400072, title = {Recyclable ionic liquid iodinating reagent for solvent free, regioselective iodination of activated aromatic and heteroaromatic amines}, journal = {RSC Advances}, volume = {5}, number = {107}, year = {2015}, month = {OCT}, pages = {88311-88315}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This article describes a simple, efficient method for iodination of activated aromatic and heteroaromatic amines using recyclable 1-butyl-3-methylpyridinium dichloroiodate (BMPDCI) as an ionic liquid iodinating reagent, in the absence of any solvent. The main advantages are a simple efficient procedure, good yields and no need for any base/toxic heavy metals, or oxidizing agents. The ionic liquid was recovered and recycled in five subsequent reactions, without much loss of activity. This method was applied for the synthesis of the antiprotozoal drug iodoquinol and the antifungal drug clioquinol.

}, issn = {2046-2069}, doi = {10.1039/c5ra14702f}, author = {Deshmukh, Amarsinh and Gore, Babasaheb and Thulasiram, Hirekodathakallu V. and Swamy, Vincent P.} } @article { ISI:000357617800013, title = {Reduced graphene oxide composite with oxidizable manganese/cobalt mixed oxide for p-cresol oxidation by using molecular oxygen}, journal = {ChemPlusChem}, volume = {80}, number = {7}, year = {2015}, month = {JUL}, pages = {1164-1169}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

A composite of graphene oxide (GO) with mixed oxide (MnCo) was prepared by using a solvothermal method. During the synthesis, both the reduction of GO and growth of metal oxides took place simultaneously. The as-prepared composite material was highly selective for the liquid-phase oxidation of p-cresol to form p-hydroxybenzaldehyde in 71\% yield within 1h. The composite material was characterised by SEM, X-ray photoelectron spectroscopy, high-resolution TEM and cyclic voltammetry (CV). A CV study revealed that the increase in the redox potential of the mixed oxide after being supported on GO, led to its higher activity of the catalyst for the oxidation reaction. The stability of the catalyst under the reaction conditions was studied by its successful reuse in three cycles.

}, keywords = {cyclic voltammetry, graphene, Oxidation, supported catalysts, transition metals}, issn = {2192-6506}, doi = {10.1002/cplu.201500053}, author = {Jha, Ajay and Patil, Sagar H. and Solanki, Bhanu P. and Ribeiro, Ana P. C. and Castro, Carlos A. N. and Patil, Kashinath R. and Coronas, Alberto and Rode, Chandrashekhar V.} } @article { ISI:000360025100006, title = {Reduction of graphene oxide by 100 MeV Au ion irradiation and its application as H2O2 sensor}, journal = {Journal of Physics D-Applied Physics}, volume = {48}, number = {36}, year = {2015}, month = {SEP}, pages = {365105}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Graphene oxide (GO) synthesized from a modified Hummer{\textquoteright}s method was reduced (referred, rGO) by using 100 MeV Au ion species and its response to the sense H2O2 was investigated. The changes in the atomic composition and structural properties of rGO after irradiation were studied using x-ray diffraction, Fourier transform infrared spectroscopy and x-ray photoelectron spectroscopy. These results suggested that the removal of the oxygen-containing functional groups and the improvement of the electrochemical performance of reduced graphene oxide (rGO) after ion irradiation. Raman spectroscopic results revealed the increase in the disorder parameter (I-D/I-G) after Au ion irradiation and also the formation of a large number of small sp(2) domains due to the electronic energy loss of ion beam. The resultant rGO was investigated for H2O2 sensing using electrochemical techniques and it showed a good response.

}, keywords = {electronic energy loss, GO, ion beam irradiation, reduction}, issn = {0022-3727}, doi = {10.1088/0022-3727/48/36/365105}, author = {Hareesh, K. and Joshi, R. P. and Shateesh, B. and Asokan, K. and Kanjilal, D. and Late, Dattatray J. and Dahiwale, S. S. and Bhoraskar, Vasant N. and Haram, Santosh K. and Dhole, Sanjay D.} } @article { ISI:000365222000045, title = {Regioselective and diastereoselective iodocyclization reaction of alkene-thioureas: an efficient approach to bicyclic beta-lactams}, journal = {New Journal of Chemistry}, volume = {39}, number = {12}, year = {2015}, month = {SEP}, pages = {9422-9428}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Bicyclic beta-lactams, i.e. 3-thia-1-dethiacephams, were synthesized via a highly regioselective and diastereoselective iodocyclization reaction of alkene-thioureas with molecular iodine. Furthermore, the structure of 3-thia-1-dethiacepham was confirmed by a chemical method, the dehydrohalogenation reaction using DBU.

}, issn = {1144-0546}, doi = {10.1039/c5nj01963j}, author = {Garud, Dinesh R. and Sonawane, Amol D. and Auti, Jyoti B. and Rode, Navnath D. and Ranpise, Vinod R. and Joshi, Rohini R. and Joshi, Ramesh A.} } @article { ISI:000354188800009, title = {Relativistic equation-of-motion coupled-cluster investigation of the trends of single and double ionization potentials in the He and Be isoelectronic systems}, journal = {Journal of Physics B-Atomic Molecular and Optical Physics}, volume = {48}, number = {11}, year = {2015}, month = {JUN}, pages = {115009}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

We employ a four-component spinor relativistic equation-of-motion coupled-cluster (EOMCC) method within the single-and double-excitation approximation to calculate the single ionization potentials (IPs) and double ionization potentials (DIPs) of the He and Be isoelectronic sequences up to Ne. The obtained results are compared with the available results from the National Institute of Standards and Technology (NIST) database to test the performance of the EOMCC method. We also present intermediate results at different levels of approximations in the EOMCC framework to gain insight of the effect of electron correlation. Furthermore, we investigate the dependence of the IPs and DIPs of these ions on the ionic charge and observe that these follow parabolic trends. Similarities between the trends of IPs and DIPs in both the classes of considered systems are categorically demonstrated.

}, keywords = {coupled-cluster method, double ionization potentials, equation-of-motion theory}, issn = {0953-4075}, doi = {10.1088/0953-4075/48/11/115009}, author = {Pathak, Himadri and Sahoo, B. K. and Sengupta, Turbasu and Das, B. P. and Vaval, Nayana and Pal, Sourav} } @article {42629, title = {Relativistic extended coupled cluster method for magnetic hyperfine structure constant}, journal = {Physical Review A}, volume = {91}, year = {2015}, month = {FEB}, pages = {Article No. 022512}, type = {Article}, doi = {10.1103/PhysRevA.91.022512}, author = {Sasmal, Sudip and Pathak, Himadri and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {43312, title = {Release of a guest by disassembling a capsule through a photo triggering process}, journal = {Organic Letters}, volume = {15}, year = {2015}, month = {JAN}, pages = {4374 - 4377}, author = {Nithyanandhan, Jayaraj and Jagadesan, P. and Samanta, S. R. and Da Silva, J. P. and Ramamurthy, V.} } @article { ISI:000363949300020, title = {Removal of methylene blue (MB) dye from water environment by processed Jowar Stalk [Sorghum bicolor (L.) Moench] adsorbent}, journal = {Clean Technologies and Environmental Policy}, volume = {17}, number = {8}, year = {2015}, month = {DEC}, pages = {2349-2359}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

The present paper discusses the results of the study of adsorption of methylene blue on activated carbon, derived from cheap and abundantly available agro-residue of Jowar Stalk (JS) [Sorghum bicolor (L.) Moench] on suitable heat and acid treatment. The physico-chemical and morphological characteristics of processed carbon of JS origin were studied using X-ray diffraction, scanning electron microscopy, Brunauer, Emmett and Teller surface area, and Fourier transform infrared spectrophotometry analyses. The batch studies revealed optimum values of adsorption parameters such as pH, adsorbent dosage, agitation speed, grain size, temperature, and contact time as 7, 1.5 g l(-1), 200 rpm, finer than 75 A mu m, 30 A degrees C, and 7 h, respectively. The adsorption isotherm data were best described by Langmuir isotherm model with a maximum adsorption capacity of 176.05 mg MB g(-1) JS activated carbon at 30 A degrees C, which is higher than that available with adsorbents used by past researchers. In terms of cost-effectiveness, JS carbon shows its superiority over commercially available carbon.

}, keywords = {Adsorption, Isotherms, kinetics, Methylene blue, Processed Jowar Stalk [Sorghum bicolor (L.) Moench]}, issn = {1618-954X}, doi = {10.1007/s10098-015-0977-y}, author = {Dod, Ramesh and Banerjee, Goutam and Saini, D. R.} } @article { ISI:000350674400031, title = {Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {10}, year = {2015}, month = {MAR}, pages = {3064-3069}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication depicts an intriguing example of hydrogen-bonding reversal upon introduction of a sulfonamide linkage at the N-terminus of a synthetic reverse-turn peptide motif. The ready availability of two sulfonyl oxygen atoms, as hydrogen-bonding acceptors, combined with the inherent twisted conformation of sulfonamides are seen to act as switches that engage/disengage the hydrogen-bond at the sticky ends/termini.

}, issn = {1477-0520}, doi = {10.1039/c4ob02438a}, author = {Vijayadas, Kuruppanthara N. and Kotmale, Amol S. and Thorat, Shridhar H. and Gonnade, Rajesh G. and Nair, Roshna V. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000364933100004, title = {Reversed reactivity of anilines with alkynes in the rhodium-catalysed C-H activation/carbonylation tandem}, journal = {Nature Communications}, volume = {6}, year = {2015}, month = {OCT}, pages = {Article Number: 8591}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Development of multicatalytic approach consisting of two or more mechanistically distinct catalytic steps using a single-site catalyst for rapid and straightforward access of structurally complex molecules under eco-benign conditions has significance in contemporary science. We have developed herein a rhodium-catalysed C-H activation strategy which uses an unprotected anilines and an electron-deficient alkynes to C-C bonded products as a potential intermediate in contrast to the archetypical C-N bonded products with high levels of regioselectivity. This is followed by carbonylation of C-H bond activated intermediate and subsequent annulation into quinolines has been described. This rhodium-catalysed auto-tandem reaction operates under mild, environmentally benign conditions using water as the solvent and CO surrogates as the carbonyl source with the concomitant generation of hydrogen gas. The strategy may facilitate the development of new synthetic protocols for the efficient and sustainable production of chemicals in an atom-economic way from simple, abundant starting materials.

}, issn = {2041-1723}, doi = {10.1038/ncomms9591}, author = {Midya, Siba Prasad and Sahoo, Manoj Kumar and Landge, Vinod Gokulkrishna and Rajamohanan, P. R. and Balaraman, Ekambaram} } @article {42697, title = {Reverse-hydroformylation: a missing reaction explored}, journal = {Organic Chemistry Frontiers}, volume = {2}, year = {2015}, month = {AUG}, pages = {1422-1424}, abstract = {

Recent progress in transition-metal catalysed acceptor- and acceptorless-reverse hydroformylation of aldehydes for the conversion of olefins has been discussed. The aldehyde feedstock serves as a source for production of syngas and valuable alkenes.

}, doi = {10.1039/C5QO00229J}, author = {Nandakumar, Avanashiappan and Sahoo, Manoj Kumar and Balaraman, Ekambaram} } @article { ISI:000365462600035, title = {Rh-catalyzed synthesis of coumarin derivatives from phenolic acetates and acrylates via C-H bond activation}, journal = {Journal of Organic Chemistry}, volume = {80}, number = {22}, year = {2015}, month = {NOV}, pages = {11544-11550}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient annulation strategy involving the reaction of phenolic acetates with acrylates in the presence of [Rh-2(OAc)(4)] as catalyst and formic acid as reducing agent, leading to the high yield synthesis of coumarin derivatives, has been developed. The addition of NaOAc as a base increased the yield of the products. The reaction is quite Successful for both electron rich as well as electron deficient phenolic acetates, affording coumarins with excellent regioselectivity, and proceeds via, C-H bond activation proven by deuterium incorporation studies.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b01713}, author = {Gadakh, Sunita K. and Dey, Soumen and Sudalai, Arumugarn} } @article { ISI:000356305300034, title = {Rhodium complex with unsymmetrical vicinal diamine ligand: excellent catalyst for asymmetric transfer hydrogenation of ketones}, journal = {RSC Advances}, volume = {5}, number = {64}, year = {2015}, month = {JUN}, pages = {51722-51729}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

New unsymmetrical vicinal diamine ligands with systematic variation in the regio and stereo positions in the amine and sulphonamide groups were synthesized from cheap starting material such as norephedrine. Catalytic Asymmetric Transfer Hydrogenation (ATH) of aromatic alkyl ketones has been investigated using transition metal complexes and new derivatives of monotosylated unsymmetrical vicinal diamine ligands using sodium formate as the hydrogen source, in water and methanol. Chiral secondary alcohols were obtained with excellent enantioselectivity (\>95\% ee) and conversion of ketones (\>95\%) with [Rh(Cp*)Cl-2](2) and ligand 4 as a catalyst. Enantioselectivity was found to be slightly higher with the use of methanol as a solvent for ATH of ketones with sodium formate as the hydrogen source compared to water as a solvent and was found to be consistent with all the ketones investigated. The reaction mixture is homogeneous in methanol unlike in water, where substrate and product are insoluble in water and form separate phase, sodium formate being soluble in water. The activity and enantioselectivity obtained for ATH of ketones using [Rh(Cp*)Cl-2](2) and unsymmetrical vicinal diamine ligand as catalyst was comparable with the C2 symmetric benchmark ligands like TsDPEN ((1R, 2R)-N-(p-tolylsulfonyl)-1,2-diphenylethylene- diamine), and TsCYDN ((1R, 2R)-N-(p-tolylsulfonyl)-1,2-cyclohexyl, diamine) under similar reaction conditions. To the best of our knowledge, this is first example of the ATH of ketones with good activity and high enantioselectivity with [Rh(Cp*)Cl-2](2) and unsymmetrical vicinal diamine ligands as catalyst systems.

}, issn = {2046-2069}, doi = {10.1039/c5ra08220j}, author = {Deshpande, Sudhindra H. and Shende, Vaishali S. and Shingote, Savita K. and Chakravarty, Debamitra K. and Puranik, Vedavati G. and Chaudhari, Raghunath V. and Kelkar, Ashutosh A.} } @article { ISI:000353689400017, title = {Rifampicin reduces advanced glycation end products and activates DAF-16 to increase lifespan in Caenorhabditis elegans}, journal = {Aging Cell}, volume = {14}, number = {3}, year = {2015}, month = {JUN}, pages = {463-473}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Advanced glycation end products (AGEs) are formed when glucose reacts nonenzymatically with proteins; these modifications are implicated in aging and pathogenesis of many age-related diseases including type II diabetes, atherosclerosis, and neurodegenerative disorders. Thus, pharmaceutical interventions that can reduce AGEs may delay age-onset diseases and extend lifespan. Using LC-MSE, we show that rifampicin (RIF) reduces glycation of important cellular proteins in vivo and consequently increases lifespan in Caenorhabditis elegans by up to 60\%. RIF analog rifamycin SV (RSV) possesses similar properties, while rifaximin (RMN) lacks antiglycation activity and therefore fails to affect lifespan positively. The efficacy of RIF and RSV as potent antiglycating agents may be attributed to the presence of a p-dihydroxyl moiety that can potentially undergo spontaneous oxidation to yield highly reactive p-quinone structures, a feature absent in RMN. We also show that supplementing rifampicin late in adulthood is sufficient to increase lifespan. For its effect on longevity, rifampicin requires DAF-18 (nematode PTEN) as well as JNK-1 and activates DAF-16, the FOXO homolog. Interestingly, the drug treatment modulates transcription of a different subset of DAF-16 target genes, those not controlled by the conserved Insulin-IGF-1-like signaling pathway. RIF failed to increase the lifespan of daf-16 null mutant despite reducing glycation, showing thereby that DAF-16 may not directly affect AGE formation. Together, our data suggest that the dual ability to reduce glycation in vivo and activate prolongevity processes through DAF-16 makes RIF and RSV effective lifespan-extending interventions.

}, keywords = {advanced glycation end products, aging, Caenorhabditis elegans, DAF-16, Glycation, lifespan, rifampicin}, issn = {1474-9718}, doi = {10.1111/acel.12327}, author = {Golegaonkar, Sandeep and Tabrez, Syed S. and Pandit, Awadhesh and Sethurathinam, Shalini and Jagadeeshaprasad, Mashanipalya G. and Bansode, Sneha B. and Sampathkumar, Srinivasa-Gopalan and Kulkarni, Mahesh J. and Mukhopadhyay, Arnab} } @article { ISI:000350116200014, title = {Robustness screen in enantioselective catalysis enabled generation of enantioenriched heterocyclic scaffolds in one pot}, journal = {Chemistry-A European Journal}, volume = {21}, number = {9}, year = {2015}, month = {FEB}, pages = {3580-3584}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Enantioselective catalysis has emerged as a powerful synthetic paradigm and has accelerated the development of new methods to make diverse chiral molecules. Generally, these reactions are very sensitive to the steric and electronic environment present in the catalyst as well as the substrates. With this scenario, the presence of an additional component in the reaction mixture is expected to add complexity in achieving the enantioselective variants. Herein, we report that various enantioenriched molecules could be obtained from multiple starting materials in one pot. The reaction of aminoaromatics A with alkynols B-1, B-2, B-3...B-n with a Au-I/chiral BrOnsted acid catalyst afforded AB(1)*, AB(2)*, AB(3)*...AB(n)*; while, the reaction of alkynols B with aminoaromatics A(1), A(2), A(3)...A(n) under the same reaction conditions gave A(1)B*, A(2)B*, A(3)B*...A(n)B*.

}, keywords = {chiral Bronsted acid, Enantioselectivity, Gold, molecular scaffolds, robustness screen}, issn = {0947-6539}, doi = {10.1002/chem.201406045}, author = {Bagle, Pradip N. and Shinde, Valmik S. and Patil, Nitin T.} } @inbook { ISI:000350416600017, title = {Role of lipid-mediated effects in beta(2)-adrenergic receptor dimerization}, booktitle = {biochemical roles of eukaryotic cell surface macromolecules}, series = {Advances in Experimental Medicine and Biology}, volume = {842}, year = {2015}, pages = {247-261}, publisher = {Springer-Verlag Berlin}, organization = {Springer-Verlag Berlin}, address = {Heidelberger Platz 3, D-14197 Berlin, Germany :}, isbn = {978-3-319-11280-0; 978-3-319-11279-4}, issn = {0065-2598}, doi = {10.1007/978-3-319-11280-0_16}, author = {Prasanna, Xavier and Chattopadhyay, Amitabha and Sengupta, Durba}, editor = {Chakrabarti, A. and Surolia, A.} } @article { ISI:000354199900018, title = {Role of N-terminal proline in stabilizing the Ant-Pro zipper motif}, journal = {New Journal of Chemistry}, volume = {39}, number = {5}, year = {2015}, month = {MAR}, pages = {3327-3332}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Hetero-chiral hybrid peptides of the general sequence (L)alpha beta(D)(n)alpha beta(n) featuring proline (Pro, a constrained alpha-amino acid) and anthranilic acid (Ant, a constrained beta-amino acid) as building blocks, where n = 2, 4 etc., form a three-dimensional zipper-like architecture. These zipper peptides attain stable conformation by balancing the co-operative contribution of two competing non-covalent forces, namely hydrogen bonding and aromatic stacking. However, the selection of the N-terminal residue also stands to be one of the key contributors in stabilising the unusually long-range intramolecular hydrogen bond, featuring 26 atoms in the H-bonded ring observed at the termini. This article deals with the substitution alterations at the N-terminus of the zipper motif and their consequent influences on its structure and stability. In this study, the N-terminal Pro residue of the zipper motif was substituted with a flexible amino acid, alanine, and a constrained acyclic amino acid, 2-aminoisobutyric acid, to investigate the role of N-terminal proline in stabilizing the Ant-Pro zipper motif, and its stabilities were assessed by employing solution-state NMR and restrained MD simulation studies.

}, issn = {1144-0546}, doi = {10.1039/c4nj02151g}, author = {Kheria, Sanjeev and Nair, Roshna V. and Kotmale, Amol S. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000359654100006, title = {Role of tumor cell surface lysosome-associated membrane protein-1 (LAMP1) and its associated carbohydrates in lung metastasis}, journal = {Journal of Cancer Research and Clinical Oncology}, volume = {141}, number = {9}, year = {2015}, month = {SEP}, pages = {1563-1574}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Expression of lysosome-associated membrane protein-1 (LAMP1) on the surface correlates with metastatic potential of B16 melanoma cells. Downregulation of their expression in high metastatic (B16F10) cells reduced their surface expression and metastatic potential. Present investigations explore if overexpression of LAMP1 on the surface of low metastatic (B16F1) cells augment their metastatic ability, and if so, how? B16F1 cells were transduced with lentiviral vector carrying mutant-LAMP1 (Y386A) (mutLAMP1). Surface expression of LAMP1 and carbohydrates was analyzed by flow cytometry, immunofluorescence and/or immunoprecipitation and Western blotting. Cell spreading and motility were assessed on components of extracellular matrix (ECM) (fibronectin) and basement membrane (BM) (matrigel), and galectin-3-coated coverslips/plates. Metastatic potential was assessed using experimental metastasis assay. Pre-incubation with anti-LAMP1 antibodies significantly reduced lung metastasis of B16F10 cells. Overexpression of mutLAMP1 significantly increased its surface expression on B16F1 cells, resulting in increased cellular spreading and motility on fibronectin and matrigel. LAMP1 is the major carrier of poly-N-acetyllactosamine (polyLacNAc) on B16F10 cells. However, significantly higher expression of mutLAMP1 had no effect on galectin-3 binding on cell surface or on spreading or motility of cells on galectin-3-coated coverslips/plates. These cells also failed to show any gain in metastatic ability. This could be because LAMP1 from these cells carried significantly lower levels of polyLacNAc in comparison with B16F10 cells. PolyLacNAc on B16F10 cells and galectin-3 on lungs are the major participants in melanoma metastasis. Although surface LAMP1 promotes interactions with organ ECM and BM, carbohydrates on LAMP1 play a decisive role in dictating lung metastasis.

}, keywords = {6 branched N-oligosaccharides, beta 1, Cell surface LAMP1, Galectin-3, Motility, Organ-specific metastasis, Poly-N-acetyllactosamine}, issn = {0171-5216}, doi = {10.1007/s00432-015-1917-2}, author = {Agarwal, Akhil Kumar and Srinivasan, Nithya and Godbole, Rashmi K. and More, Shyam K. and Budnar, Srikanth and Gude, Rajiv P. and Kalraiya, Rajiv D.} } @article {42984, title = {Rottlerin derivatives and other compounds from mallotus philippinensis fruits and their potential antimycobactrial activity}, journal = {Planta Medica Letters}, volume = {2}, year = {2015}, month = {JUN}, pages = {e28-e30}, abstract = {

The methanolic extract of the fruits of Mallotus philippinensis afforded 13 compounds, 7,11-diketo-lanost-3-ol (1, as acetate), lanosta-8-ene-3β-ol (2, as acetate), pregnenolone (3, as acetate), trans-chalcone (4), kamalachalcone E (5), oleanolic acid (6), gallic acid (7), kaempferol (8), myricetin (9), 1-(5,7-dihydroxy-2,2,6-trimethyl-2 H-1-benzopyran-8-yl)-3-phenyl-2-propen-1-one (10), 4'-hydroxyisorottlerin (11), rottlerin (12), and shikimic acid (13). Compound 1 was isolated as a new natural product and its structure was elucidated by 1D and 2D nuclear magnetic resonance analyses including heteronuclear single quantum correlation, heteronuclear multiple-bond correlation, correlation spectroscopy, and nuclear Overhauser effect spectroscopy experiments. All of the isolated compounds were evaluated for their antimycobacterium activity against Mycobacterium tuberculosis H37Ra. Compounds 11 and 12 exhibited promising inhibitory activity with IC50 values of 0.89 {\textpm} 0.33 {\textmu}g/mL (MIC 2.06 {\textpm} 0.41 {\textmu}g/mL) and 7.59 {\textpm} 0.42 {\textmu}g/mL (MIC 11.56 {\textpm} 0.35 {\textmu}g/mL), respectively.

}, doi = {10.1055/s-0035-1557793}, author = {Bhardwaj, Rima and Chinchansure, Ashish A. and Kulkarni, Roshan R. and Arkile, Manisha A. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000354255400032, title = {SBA-15-oxynitrides as a solid-base catalyst: effect of nitridation temperature on catalytic activity}, journal = {Angewandte Chemie-International Edition}, volume = {54}, number = {20}, year = {2015}, month = {MAY}, pages = {5985-5989}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Solid bases, such as SBA-15-oxynitrides, have attracted considerable interest for potential applications as catalysts in important industrial processes. Reported herein is that by simply tuning the temperature of nitridation (ammonolysis), the catalytic activity of these solid bases can be enhanced. Solid-state NMR spectroscopy and XPS studies provided the reasoning behind this change in activity.

}, keywords = {heterogeneous catalysis, Nanostructures, NMR spectroscopy, photoelectron spectroscopy, solid-state structures}, issn = {1433-7851}, doi = {10.1002/anie.201501015}, author = {Singh, Baljeet and Mote, Kaustubh R. and Gopinath, Chinnakonda S. and Madhu, Perunthiruthy K. and Polshettiwar, Vivek} } @article { ISI:000356201100007, title = {Selective and sensitive sensing of free bilirubin in human serum using water-soluble polyfluorene as fluorescent probe}, journal = {Macromolecules}, volume = {48}, number = {11}, year = {2015}, month = {JUN}, pages = {3449-3461}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The adherence of serum protein on conjugated polymer is a major bottleneck in the application of the latter for selective sensing of small biomolecules in blood serum. In this report, we present new polyfluorenes with d-glucuronic acid appendage that is a nonreceptor for any serum protein, thereby providing a platform for selective sensing of free bilirubin in the clinically relevant range of \<25 to \>50 mu mol/L in human blood serum. The appended d-glucuronic acid formed noncovalent interactions with bilirubin, which in conjunction with favorable spectral overlap between the polymers and bilirubin facilitated efficient FRET process in aqueous solutions. Addition of bilirubin resulted in the quenching of the polyfluorene emission with simultaneous appearance of bilirubin emission exhibiting visual emission color change from blue to light green. The polymer remained stable in serum even under severe basic conditions and exhibited high selectivity with visual sensitivity only toward free bilirubin in human serum in the presence of crucial interferences such as hemoglobin, proteins, biliverdin, glucose, cholesterol, and metal ions. Nanomolar sensing of bilirubin could also be demonstrated successfully using one of the d-glucuronic acid appended polymer (PF-Ph-GlcA), which could sense similar to 150 nm of bilirubin in human serum. The combined role of energy transfer and noncovalent interaction highlights the potential of the new polymer design for highly selective sensing activity in complex biofluids.

}, issn = {0024-9297}, doi = {10.1021/acs.macromol.5b00043}, author = {Senthilkumar, T. and Asha, S. K.} } @article { ISI:000355064000014, title = {Self-assembly directed template photopolymerization of perylenebisimide-poly (4-vinylpyridine): nano organization}, journal = {Polymer}, volume = {65}, year = {2015}, month = {MAY}, pages = {115-123}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

A perylene bisimide derivative (PDP-UPBIAcry) having hydroxyl moieties at one termini and polymerizable acrylic units at the other termini was supramolecularly complexed with the pyridine units of Poly (4-vinyl pyridine) (P4VP), followed by photoinduced polymerization of the acrylic units to obtain lamellar organization in the \<10 nm range. H-1 NMR studies including variable temperature (20 degrees C-70 degrees C) measurements were undertaken in DMSO-d(6) (anhydrous, extra dry) to understand the interaction between PDP-UPBIAcry and P4VP. The aromatic perylene protons of PDP-UPBIAcry registered an upfield chemical shift while the pyridine protons of P4VP exhibited small downfield shift in their 1:1 supramolecular complex. The hydrogen bonding interaction between pyridyl nitrogen and phenolic OH group was also traced in non-polar media like CDCl3 in model complexes of 4-vinyl pyridine (4VP) with PDP-UPBIAcry. Wide angle X-ray diffraction (WXRD) technique was used to study the bulk structure. Transmission electron microscopy (TEM) imaging revealed highly ordered layered assembly formed upon complexation. Observation from DFT energy minimization studies were correlated with X-ray diffraction data of the supramolecular complex [P4VP (PDP-UPBIAcry)](1.0) to understand the nature of packing of PDP-UPBIAcry that lead to the formation of highly ordered lamellar stacks alternating with P4VP. The higher ordering in the supramolecular polymer complex was also confirmed by the quenching of fluorescence and reduced fluorescence life times of thin solid films of the [P4VP Poly(PDP-UPBIAcry)](1.0) sample. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {hydrogen bonding, P4VP, Perylenebisimide}, issn = {0032-3861}, doi = {10.1016/j.polymer.2015.03.062}, author = {Shinde, Shekhar and Asha, S. K.} } @article { ISI:000353702500026, title = {Self-templated chemically stable hollow spherical covalent organic framework}, journal = {Nature Communications}, volume = {6}, year = {2015}, month = {APR}, pages = {6786}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Covalent organic frameworks are a family of crystalline porous materials with promising applications. Although active research on the design and synthesis of covalent organic frameworks has been ongoing for almost a decade, the mechanisms of formation of covalent organic frameworks crystallites remain poorly understood. Here we report the synthesis of a hollow spherical covalent organic framework with mesoporous walls in a single-step template-free method. A detailed time-dependent study of hollow sphere formation reveals that an inside-out Ostwald ripening process is responsible for the hollow sphere formation. The synthesized covalent organic framework hollow spheres are highly porous (surface area similar to 1,500m(2) g(-1)), crystalline and chemically stable, due to the presence of strong intramolecular hydrogen bonding. These mesoporous hollow sphere covalent organic frameworks are used for a trypsin immobilization study, which shows an uptake of 15.5 mu mol g(-1) of trypsin.

}, issn = {2041-1723}, doi = {10.1038/ncomms7786}, author = {Kandambeth, Sharath and Venkatesh, V. and Shinde, Digambar B. and Kumari, Sushma and Halder, Arjun and Verma, Sandeep and Banerjee, Rahul} } @article { ISI:000362964900007, title = {Sequence and structure-based comparative analysis to assess, identify and improve the thermostability of penicillin G acylases}, journal = {Journal of Industrial Microbiology \& Biotechnology}, volume = {42}, number = {11}, year = {2015}, month = {NOV}, pages = {1493-1506}, publisher = {SPRINGER HEIDELBERG}, address = {TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY}, abstract = {

Penicillin acylases are enzymes employed by the pharmaceutical industry for the manufacture of semi-synthetic penicillins. There is a continuous demand for thermostable and alkalophilic enzymes in such applications. We have carried out a computational analysis of known penicillin G acylases (PGAs) in terms of their thermostable nature using various protein-stabilizing factors. While the presence of disulfide bridges was considered initially to screen putative thermostable PGAs from the database, various other factors such as high arginine to lysine ratio, less content of thermolabile amino acids, presence of proline in beta-turns, more number of ion-pair and other non-bonded interactions were also considered for comparison. A modified consensus approach designed could further identify stabilizing residue positions by site-specific comparison between mesostable and thermostable PGAs. A most likely thermostable enzyme identified from the analysis was PGA from Paracoccus denitrificans (PdPGA). This was cloned, expressed and tested for its thermostable nature using biochemical and biophysical experiments. The consensus site-specific sequence-based approach predicted PdPGA to be more thermostable than Escherichia coli PGA, but not as thermostable as the PGA from Achromobacter xylosoxidans. Experimental data showed that PdPGA was comparatively less thermostable than Achromobacter xylosoxidans PGA, although thermostability factors favored a much higher stability. Despite being mesostable, PdPGA being active and stable at alkaline pH is an advantage. Finally, several residue positions could be identified in PdPGA, which upon mutation selectively could improve the thermostability of the enzyme.

}, keywords = {Alkalistable, beta-lactam antibiotics, Consensus approach, Disulfide bridge, Ion pairs, Penicillin acylase, Thermostability}, issn = {1367-5435}, doi = {10.1007/s10295-015-1690-x}, author = {Panigrahi, Priyabrata and Chand, Deepak and Mukherji, Ruchira and Ramasamy, Sureshkumar and Suresh, C. G.} } @article { ISI:000353931300023, title = {Shape-selective oriented cerium oxide nanocrystals permit assessment of the effect of the exposed facets on catalytic activity and oxygen storage capacity}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {16}, year = {2015}, month = {APR}, pages = {8545-8555}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The catalytic performance of a range of nanocrystalline CeO2 samples, prepared to have different morphologies, was measured using two accepted indicators; oxygen storage and diesel soot combustion. The same powders were characterized hi detail by HR-TEM, XRD, XPS, and Raman methods. The study demonstrates that activity is determined by the relative fraction of the active crystallographic planes, not by the specific surface area of the powders. The physical study is a step toward quantitative evaluation of the relative contribution to activity of the different facets. The synthetic protocol permits fabrication of CeO2 nanostructures with preferentially grown active planes, and therefore has potential in developing catalytic applications and in nanocompositing.

}, keywords = {ceria, chemical activities, crystal facets, nanocrystals, texture coefficient}, issn = {1944-8244}, doi = {10.1021/acsami.5b00298}, author = {Sreeremya, Thadathil S. and Krishnan, Asha and Remani, Kottayilpadi C. and Patil, Kashinath R. and Brougham, Dermot F. and Ghosh, Swapankumar} } @article { ISI:000364436300046, title = {Short enantioselective synthesis of ephedrine, amphetamine and their analogues via two stereocentered Co(III)-catalyzed hydrolytic kinetic resolution of racemic syn-benzyloxy epoxide}, journal = {Tetrahedron Letters}, volume = {56}, number = {46}, year = {2015}, month = {NOV}, pages = {6488-6490}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient route for the synthesis of 6 drugs belonging to phenethylamine and amphetamine classes in excellent overall yields and high optical purity has been described. The strategy involves introduction of stereogenic centers by means of two-stereocentered Co(III)-catalyzed hydrolytic kinetic resolution (HKR) of racemic syn-benzyloxy epoxide followed by Pd-catalyzed regioselective cationic hydrogenation of amino alcohols as the key reactions. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Amphetamine, Cationic hydrogenation, Hydrolytic kinetic resolution, Phenethylamine, Stereogenic centers}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.10.010}, author = {Lalwani, Komal G. and Sudalai, Arumugam} } @article { ISI:000364803200006, title = {Silicon incorporated morpholine antifungals: design, synthesis, and biological evaluation}, journal = {ACS Medicinal Chemistry Letters}, volume = {6}, number = {11}, year = {2015}, month = {NOV}, pages = {1111-1116}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Known morpholine class antifungals (fenpropimorph, fenpropidin, and amorolfine) were synthetically modified through silicon incorporation to have 15 sila-analogues. Twelve sila-analogues exhibited potent antifungal activity against different human fungal pathogens such as Candida albicans, Candida glabrata, Candida tropicalis, Cryptococcus neoformans, and Aspergillus niger. Si la-analogue 24 (fenpropimorph analogue) was the best in our hands, which showed superior fungicidal potential than fenpropidin, fenpropimorph, and amorolfine. The mode of action of sila-analogues was similar to morpholines, i.e., inhibition of sterol reductase and sterol isomerase enzymes of ergosterol synthesis pathway.

}, keywords = {Antifungal drugs, Candida albicans, ergosterol biosynthesis, morpholines, sila-analogues}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.5b00245}, author = {Jachak, Gorakhnath R. and Ramesh, Remya and Sant, Duhita G. and Jorwekar, Shweta U. and Jadhav, Manjusha R. and Tupe, Santosh G. and Deshpande, Mukund V. and Reddy, D. Srinivasa} } @article { ISI:000347373500003, title = {Simple method for the preparation of ultra-small palladium nanoparticles and their utilization for the hydrogenation of terminal alkyne groups to alkanes}, journal = {Nanoscale}, volume = {7}, number = {3}, year = {2015}, month = {NOV}, pages = {872-876}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple and convenient method for the preparation of ultra-small palladium nanoparticles (Pd-NPs) by a modified digestive ripening method is described. These nanoparticles catalyse the hydrogenation of the terminal alkyne groups to alkanes selectively, and show no effect on other labile protecting and internal alkyne or internal/external alkene groups present in the molecule.

}, issn = {2040-3364}, doi = {10.1039/c4nr04239e}, author = {Seth, Jhumur and Kona, Chandrababu Naidu and Das, Shyamsundar and Bhagavatula L. V. Prasad} } @article { ISI:000351061700025, title = {Situ preparation of N-TiO2/graphene nanocomposite and its enhanced photocatalytic hydrogen production by H2S splitting under solar light}, journal = {Nanoscale}, volume = {7}, number = {11}, year = {2015}, month = {FEB}, pages = {5023-5034}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Highly monodispersed nitrogen doped TiO2 nanoparticles were successfully deposited on graphene (N-TiO2/Gr) by a facile in-situ wet chemical method for the first time. N-TiO2/Gr has been further used for photocatalytic hydrogen production using a naturally occurring abundant source of energy i.e. solar light. The N-TiO2/Gr nanocomposite composition was optimized by varying the concentrations of dopant nitrogen and graphene (using various concentrations of graphene) for utmost hydrogen production. The structural, optical and morphological aspects of nanocomposites were studied using XRD, UV-DRS, Raman, XPS, FESEM, and TEM. The structural study of the nanocomposite shows existence of anatase N-TiO2. Further, the details of the components present in the composition were confirmed with Raman and XPS. The morphological study shows that very tiny, 7-10 nm sized, N-TiO2 nanoparticles are deposited on the graphene sheet. The optical study reveals a drastic change in absorption edge and consequent total absorption due to nitrogen doping and presence of graphene. Considering the extended absorption edge to the visible region, these nanocomposites were further used as a photocatalyst to transform hazardous H2S waste into eco-friendly hydrogen using solar light. The N-TiO2/Gr nanocomposite with 2\% graphene exhibits enhanced photocatalytic stable hydrogen production i.e. similar to 5941 mu mol h(-1) under solar light irradiation using just 0.2 gm nanocomposite, which is much higher as compared to P25, undoped TiO2 and TiO2/Gr nanocomposite. The enhancement in the photocatalytic activity is attributed to {\textquoteleft}N{\textquoteright} doping as well as high specific surface area and charge carrier ability of graphene. The recycling of the photocatalyst shows a good stability of the nanocomposites. This work may provide new insights to design other semiconductor deposited graphene novel nanocomposites as a visible light active photocatalyst.

}, issn = {2040-3364}, doi = {10.1039/c4nr06435f}, author = {Bhirud, Ashwini P. and Sathaye, Shivaram D. and Waichal, Rupali P. and Ambekar, Jalindar D. and Park, Chan-J. and Kale, Bharat B.} } @article { ISI:000359459900017, title = {Situ preparation of N-ZnO/graphene nanocomposites: excellent candidate as a photocatalyst for enhanced solar hydrogen generation and high performance supercapacitor electrode}, journal = {Journal of Materials Chemistry A}, volume = {3}, number = {33}, year = {2015}, month = {JUL}, pages = {17050-17063}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We have demonstrated a facile in situ wet chemical method to synthesize nanostructured nitrogen doped ZnO/Graphene (N-ZnO/GR) nanocomposites for the first time. Nitrogen doped ZnO over graphene (N-ZnO/GR) was studied using various concentrations of graphene. During the synthesis of N-ZnO/GR nanocomposites, in situ formation of graphene via GO reduction and formation of 4-9 nm N-ZnO have been demonstrated. The composite N-ZnO/GR absorbs in the visible region and this property is used for the photocatalytic reaction to transform hazardous H2S waste into eco-friendly hydrogen using solar light. The N-ZnO/GR nanocomposite with 0.3\% graphene exhibits an enhanced photocatalytic stable hydrogen production rate i.e. similar to 5072 mu mol h(-1) under visible light irradiation. It is noteworthy that the N-ZnO/GR electrode exhibits a high specific capacitance of 555 F g(-1) and excellent cyclic performance with nearly 96.20\% capacity retention after 2000 cycles at a current density of 10 A g(-1). These results indicate great potential applications of N-ZnO/GR in developing high hydrogen production and supercapacitors with high energy and power densities.

}, issn = {2050-7488}, doi = {10.1039/c5ta03955j}, author = {Bhirud, Ashwini P. and Sathaye, Shivaram and Waichal, Rupali and Park, Chan-Jin and Kale, Bharat} } @article { ISI:000352546100002, title = {Sodium periodate mediated oxidative transformations in organic synthesis}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {15}, year = {2015}, month = {FEB}, pages = {4374-4394}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The investigation of new oxidative transformations for the synthesis of carbon-heteroatom and heteroatom-heteroatom bonds is of fundamental importance in the synthesis of numerous bioactive molecules and fine chemicals. In this context, NaIO4, an exciting reagent, has attracted increasing attention enabling the development of these unprecedented oxidative transformations that are difficult to achieve otherwise. Thus, NaIO4 has been successfully explored as a versatile oxidant for a variety of fundamental organic transformations such as C-H activation, oxidative functionalization of alkenes and other interesting oxidative transformations and its application in the synthesis of bioactive natural products. This review summarizes recent developments in this area with NaIO4 as a versatile oxidant and brings out many challenges that still remain elusive for the future.

}, issn = {1477-0520}, doi = {10.1039/c5ob00238a}, author = {Sudalai, Arumugam and Khenkin, Alexander and Neumann, Ronny} } @article { ISI:000353167500032, title = {Sophorolipid assisted tunable and rapid gelation of silk fibroin to form porous biomedical scaffolds}, journal = {RSC Advances}, volume = {5}, number = {43}, year = {2015}, month = {MAR}, pages = {33955-33962}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Three dimensional polymer hydrogels, based on both natural and synthetic polymers, are increasingly being used as scaffolds and drug delivery vehicles for biomedical applications. Fibrous protein, silk fibroin (SF), obtained from the Bombyx mori silkworm is a promising candidate in this area. However, SF has a long gelation time of about a few weeks that can only be reduced by non-physiological treatments (e. g. high temperature, ultrasonication and low pH) or by addition of a chemical and non-biodegradable polymer and/or surfactant. We report here accelerated gelation of SF under physiological conditions using a biosurfactant, sophorolipid (SL) as a gelling agent. SL and SF are completely miscible and form a very clear solution upon mixing. Hence it is interesting to see that this clear solution gels in a time span of just a few hours. The hydrogels so formed have pore architecture, porosities and mechanical stability ideally suited for tissue culture applications. Here we also demonstrate that mouse fibroblast cells not only adhere to but also extensively proliferate on these SF-SL scaffolds.

}, issn = {2046-2069}, doi = {10.1039/c5ra04317d}, author = {Dubey, Parul and Nawale, Laxman and Sarkar, Dhiman and Nisal, Anuya and Prabhune, Asmita} } @article { ISI:000363068700007, title = {Specific reagent for Cr(III): imaging cellular uptake of Cr(III) in Hct116 cells and theoretical rationalization}, journal = {Journal of Physical Chemistry B}, volume = {119}, number = {41}, year = {2015}, month = {OCT}, pages = {13018-13026}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A new rhodamine-based reagent (L-1), trapped inside the micellar structure of biologically benign Triton-X 100, could be used for specific recognition of Cr(III) in aqueous buffer medium having physiological pH. This visible light excitable reagent on selective binding to Cr(III) resulted in a strong fluorescence turn-on response with a maximum at similar to 583 nm and tail of that luminescence band extended until 650 nm, an optical response that is desired for avoiding the cellular autofluorescence. Interference studies confirm that other metal ions do not interfere with the detection process of Cr(III) in aqueous buffer medium having pH 7.2. To examine the nature of binding of Cr(III) to L-1, various spectroscopic studies are performed with the model reagent L-1 which tend to support Cr(III)-eta(2)-olefin pi-interactions involving two olefin bonds in molecular probe L-1. Computational studies are also performed with another model reagent L-M to examine the possibility of such Cr(III)-eta(2)-olefin pi-interactions. Presumably, polar functional groups of the model reagent L-M upon coordination to the Cr(III) center effectively reduce the formal charge on the metal ion and this is further substantiated by results of the theoretical studies. This assembly is found to be cell membrane permeable and shows insignificant toxicity toward live colon cancer cells (Hct116). Confocal laser scanning microscopic studies further revealed that the reagent L-1 could be used as an imaging reagent for detection of cellular uptake of Cr(III) in pure aqueous buffer medium by Hct116 cells. Examples of a specific reagent for paramagnetic Cr(III) with luminescence ON response are scanty in the contemporary literature. This ligand design helped us in achieving the turn on response by utilizing the conversion from spirolactam to an acyclic xanthene form on coordination to Cr(III).

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b07565}, author = {Ali, Firoj and Saha, Sukdeb and Maity, Arunava and Taye, Nandaraj and Si, Mrinal Kanti and Suresh, E. and Ganguly, Bishwajit and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000348455100007, title = {Spectral analysis of the emission current noise exhibited by few layer WS2 nanosheets emitter}, journal = {Ultramicroscopy}, volume = {149}, year = {2015}, month = {FEB}, pages = {51-57}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Spectral analysis of the field emission (FE) current fluctuations has been carried out at the base pressure similar to 1 x 10(-8) mbar. The emission current stability investigated at preset value of 2 mu A is characterized by {\textquoteleft}step like fluctuation. The spectral analysis performed on a FFT (Fast Fourier Transform) analyzer revealed that the observed noise is of 1/f(alpha) type, with the value of alpha as similar to 1.05. The estimated value of alpha implies that the current fluctuations are mainly due the various processes occurring on atomic scale like adsorption, migration, and/or desorption of the residual gas species on the emitter surface. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Current fluctuations, field emission, Noise, WS2 nanosheets}, issn = {0304-3991}, doi = {10.1016/j.ultramic.2014.10.004}, author = {Suryawanshi, Sachin R. and Kolhe, Pankaj S. and Rout, Chandra S. and Late, Dattatray J. and More, Mahendra A.} } @article { ISI:000346235600046, title = {Spectroscopic and ab initio investigation of 2,6-difluorophenylacetylene-amine complexes: coexistence of C-H center dot center dot center dot N and lone-pair center dot center dot center dot pi complexes and intermolecular coulombic decay}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {1}, year = {2015}, month = {OCT}, pages = {434-443}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Binary complexes of 2,6-difluorophenylacetylene with methylamine, dimethylamine, trimethylamine and triethylamine were investigated using one colour resonant two photon ionization and infrared-optical double resonance spectroscopic techniques combined with high level ab initio calculations. All four amines form C-Ac-H center dot center dot center dot N hydrogen-bonded complexes. Additionally trimethylamine and triethylamine form complexes characterized by Lp center dot center dot center dot pi interactions, due to the electron deficient nature of the phenyl ring of 2,6-difluorophenylacetylene. The Lp center dot center dot center dot pi interacting structure of the 2,6-difluorophenylacetylenetrimethylamine complex is about 1.5 kJ mol(-1) higher in energy than the C-Ac-H center dot center dot center dot N hydrogen-bonded structure, which is the global minimum. Energy decomposition analysis indicates that the electrostatics and dispersion interactions favour the formation of C-Ac-H center dot center dot center dot N and Lp center dot center dot center dot pi complexes, respectively. Interestingly the C-Ac-H center dot center dot center dot N hydrogen-bonded complex of 2,6-difluorophenylacetylene-triethylamine showed a smaller shift in the acetylenic C-H stretching frequency than the 2,6-difluorophenylacetylene-trimethylamine complex. The observed fragmentation of the binary complexes of 2,6-difluorophenylacetylene with the four amines following resonant two-photon ionization can be explained on the basis of the intermolecular coulombic decay process.

}, issn = {1463-9076}, doi = {10.1039/c4cp03445g}, author = {Mondal, Sohidul Islam and Dey, Arghya and Sen, Saumik and Patwari, G. Naresh and Ghosh, Debashree} } @article { ISI:000363179900069, title = {Spin-coatable, photopatternable magnetic nanocomposite thin films for MEMS device applications}, journal = {RSC Advances}, volume = {5}, number = {104}, year = {2015}, month = {OCT}, pages = {85741-85747}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Magnetic nanomaterials{\textquoteright} (especially metals) air stability and compatibility with standard micro-fabrication technologies are often a concern for development of MEMS-based magnetic devices. In this paper, we report an air-stable, photo-patternable and spin-coatable magnetic thin film preparation process for MEMS applications. This magnetic nanocomposite thin film was prepared by incorporating carbon capped ferromagnetic cobalt nanoparticles of dimension 20-80 nm into the SU-8 matrix. TEM, XRD and EDAX analyses were done, to investigate the crystal structure, dispersion and phase stability of the films. The SQUID magnetometry and MFM measurements of the film confirmed its magnetic response at room temperature and the retention of its magnetic properties over a period of time. The material compatibility for MEMS device applications was demonstrated through fabrication of a suspended circular membrane of radius similar to 250 mu m, having four U-shaped beams, of dimension similar to 270 x 50 mu m each. Three conventional lithography steps and a sacrificial release layer of similar to 1 mm thick oxide was used for the fabrication. The membrane was characterized by evaluating its spring constant and resonant frequency. The spring constant and resonant frequencies were estimated to be similar to 4.2 N m(-1) and similar to 29 kHz respectively. Finally, we demonstrated the actuation of the magnetic membrane by an off-chip generated magnetic field, for its possible use as a MEMS device.

}, issn = {2046-2069}, doi = {10.1039/c5ra15706d}, author = {Kandpal, Manoj and Sharan, C. and Palaparthy, V. and Tiwary, N. and Poddar, P. and Rao, V. Ramgopal} } @article {43027, title = {Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {DEC}, abstract = {

A new series of spirochromone annulated chalcone conjugates were synthesized and evaluated for their antitubercular activity against Mycobacterium tuberculosis H37Rv strain. These compounds were subjected to molecular modeling studies using docking and chemoinformatics based approaches. The docking simulations were performed against a range of known receptors for chalcone derived compounds to reveal MTB phosphotyrosine phosphatase B [MtbPtpB] protein as the most probable target based on the high binding affinity scores. Five compounds exhibit significant inhibition, showing minimum inhibitory concentration values i.e. MIC values ranging from 3.13{\textendash}12.5 μg mL-1. Further analysis of the synthesized compounds with known and in-house developed chemoinformatics tools unequivocally established their potential as anti-tubercular compounds. QSAR modeling revealed a quantitative relationship between biological activities and frontier molecular orbital energies of synthesized compounds. The predictive model can be employed further for virtual screening of new compounds in this series.

}, doi = {10.1039/C5RA21737G}, author = {Mujahid, Mohammad and Perumal, Yogeeswari and Sriram, D. and Basavanag, U. M. V. and D{\i}az-Cervantes, Erik and Cordoba-Bahena, Luis and Robles, Juvencio and Gonnade, Rajesh Ghanshyam and Karthikeyan, Muthukumarasamy and Vyas, Renu and Krishnan, M. Muthu} } @article { ISI:000361935600025, title = {Star telechelic poly(L-lactide) ionomers}, journal = {Macromolecules}, volume = {48}, number = {18}, year = {2015}, month = {SEP}, pages = {6580-6588}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Poly(L-lactide) (PLA), a biodegradable and biorenewable polymer, has many excellent properties that are equivalent to those of petroleum-derived plastics such as polystyrene, aromatic polyesters, etc. However, a major disadvantage of PLA which limits its processability is its poor melt elasticity. In this work we explore the possibility of improving the viscoelastic properties of PLA melt by incorporating ionic groups on the polymer. Specifically, we demonstrate the synthesis of star telechelic PLA anionomers by a three-step procedure involving synthesis of Star PIA, converting the hydroxyl end groups into carboxylic acid end groups, and finally converting these into ionic groups. Rheology data showed a dramatic increase in the elasticity of the star telechelic ionomer melts relative to the Star PLA melts. The viscoelasticity of star telechelic ionomers melts could be modulated by varying the number of ionic groups per molecule.

}, issn = {0024-9297}, doi = {10.1021/acs.macromol.5b01854}, author = {Kulkarni, Amruta and Lele, Ashish K. and Sivaram, Swaminathan and Rajamohanan, P. R. and Velankar, Sachin and Chatterji, Apratim} } @article { ISI:000350573400013, title = {Starch (Tapioca) to carbon dots: an efficient green approach to an on-off-on photoluminescence probe for fluoride ion sensing}, journal = {Analyst}, volume = {140}, number = {6}, year = {2015}, month = {FEB}, pages = {1837-1841}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Photoluminescent carbon dots of 4-5 nm size were prepared from starch (Tapioca Sago) through a solution method under mild conditions. The as-prepared carbon dots were used as photoluminescence probes for highly anion selective fluoride ion detection in aqueous solutions. A ready-to-use device is also demonstrated.

}, issn = {0003-2654}, doi = {10.1039/c4an02340d}, author = {Basu, Aniruddha and Suryawanshi, Anil and Kumawat, Begraj and Dandia, Anshu and Guin, Debanjan and Ogale, Satishchandra B.} } @article { ISI:000345901600049, title = {Stepwise isolation of low-valent, low-coordinate Sn and Pb mono- and dications in the coordination sphere of platinum}, journal = {Chemical Science}, volume = {6}, number = {1}, year = {2015}, month = {OCT}, pages = {425-435}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Synthetic access to low-coordinate Pb mono- and dications is in general impeded due to their poor solubility and highly electrophilic nature. However, the electrophilicity of these cations can be tamed by attaching them to electron-rich transition metals. Following this principle we have isolated low-valent Pb mono- ([(Cy3P)(2)Pt-PbCl](2)[AlCl4](2), 8a) and dications ([(Cy3P)(2)Pt(Pb)][AlCl4](2), 11) in the coordination sphere of platinum. The same approach then has been implemented for the isolation of analogous low-valent Sn mono- (7a) and dications (10). An energy decomposition analysis (EDA-NOCV) was performed to investigate the nature of Pt-Pb and Pb-Cl bonding in [(Cy3P)(2)Pt(PbCl2)] (2), 8a and 11. The results show that the Pt-Pb bonds in 8a and 11 are electron-sharing in nature, whereas that of the precursor 2 is a dative bond. The breakdown of attractive interactions in 2, 8a and 11 reveals that the ionic interactions in the analyzed Pt-Pb and Pb-Cl bonds are always stronger than the covalent interactions, except for the Pb-Cl bond in 8a. The calculated D3 dispersion energies show that dispersion interactions play a key role in the thermodynamic stability of 2, 8a and 11.

}, issn = {2041-6520}, doi = {10.1039/c4sc02948h}, author = {Braunschweig, Holger and Celik, Mehmet Ali and Dewhurst, Rian D. and Heid, Magdalena and Hupp, Florian and Sen, Sakya S.} } @article { ISI:000363727100011, title = {Structure mediation in substrate binding and post-translational processing of penicillin acylases: Information from mutant structures of Kluyvera citrophila penicillin G acylase}, journal = {Protein Science}, volume = {24}, number = {10}, year = {2015}, month = {OCT}, pages = {1660-1670}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Penicillin acylases are industrially important enzymes for the production of 6-APA, which is used extensively in the synthesis of secondary antibiotics. The enzyme translates into an inactive single chain precursor that subsequently gets processed by the removal of a spacer peptide connecting the chains of the mature active heterodimer. We have cloned the penicillin G acylase from Kluyvera citrophila (KcPGA) and prepared two mutants by site-directed mutagenesis. Replacement of N-terminal serine of the beta-subunit with cysteine (Ser beta 1Cys) resulted in a fully processed but inactive enzyme. The second mutant in which this serine is replaced by glycine (Ser beta 1Gly) remained in the unprocessed and inactive form. The crystals of both mutants belonged to space group P1 with four molecules in the asymmetric unit. The three-dimensional structures of these mutants were refined at resolutions 2.8 and 2.5 angstrom, respectively. Comparison of these structures with similar structures of Escherichia coli PGA (EcPGA) revealed various conformational changes that lead to autocatalytic processing and consequent removal of the spacer peptide. The large displacements of residues such as Arg168 and Arg477 toward the N-terminal cleavage site of the spacer peptide or the conformational changes of Arg145 and Phe146 near the active site in these structures suggested probable steps in the processing dynamics. A comparison between the structures of the processed Serb1Cys mutant and that of the processed form of EcPGA showed conformational differences in residues Arg alpha 145, Phe alpha 146, and Phe beta 24 at the substrate binding pocket. Three conformational transitions of Arg alpha 145 and Phe alpha 146 residues were seen when processed and unprocessed forms of KcPGA were compared with the substrate bound structure of EcPGA. Structure mediation in activity difference between KcPGA and EcPGA toward acyl homoserine lactone (AHL) is elucidated.

}, keywords = {acyl homoserine lactone, autocatalytic processing, conformational changes, KcPGA_Ser beta 1Cys, KcPGA_Ser beta 1Gly, Ntn hydrolase}, issn = {0961-8368}, doi = {10.1002/pro.2761}, author = {Chand, Deepak and Varshney, NishantKumar and Ramasamy, Sureshkumar and Panigrahi, Priyabrata and Brannigan, James A. and Wilkinson, Anthony J. and Suresh, C. G.} } @article { ISI:000349999200004, title = {Structure-induced catalytic activity of Co-Zn double-metal cyanide complexes for terpolymerization of propylene oxide, cyclohexene oxide and CO2}, journal = {RSC Advances}, volume = {5}, number = {24}, year = {2015}, month = {FEB}, pages = {18196-18203}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The application of Co-Zn double-metal cyanide (DMC) complexes as catalysts for selective terpolymerization of propylene oxide, cyclohexene oxide and CO2 producing polycarbonates is reported for the first time. DMC complexes were prepared with and without using a co-complexing agent. The catalyst with monoclinic/rhombohedral crystal structure and strong Lewis acidity, prepared without using a co-complexing agent showed higher initial activity than that with a cubic structure prepared using a co-complexing agent. Interestingly, no induction period in the terpolymerization reaction was observed. The terpolymer has 75.5 mol\% of carbonate fraction in its composition and an average molecular weight of 22 700 and polydispersity index of 2.97. It is characterized by a T-g of 55 degrees C. This structure-induced catalytic activity of DMC can open up new avenues for its applications in other reactions. The influence of process parameters on the catalytic activity of DMC was investigated.

}, issn = {2046-2069}, doi = {10.1039/c5ra00299k}, author = {Sebastian, Joby and Darbha, Srinivas} } @conference { ISI:000354845400033, title = {Study of molecular vibration by coupled cluster method: bosonic approach}, booktitle = {Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010)}, series = {AIP Conference Proceedings}, volume = {1642}, year = {2015}, note = {International Conference of Computational Methods in Sciences and Engineering (ICCMSE), Kos, GREECE, OCT 03-08, 2010}, month = {FEB}, pages = {227-230}, publisher = {European Soc Computat Methods Sci, Engn \& Technol}, organization = {European Soc Computat Methods Sci, Engn \& Technol}, address = {2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {

The vibrational coupled cluster method in bosonic representation is formulated to describe the molecular anharmonic vibrational spectra. The vibrational coupled cluster formalism is based on Watson Hamiltonian in normal coordinates. The vibrational excited states are described using coupled cluster linear response theory (CCLRT). The quality of the coupled cluster wave function is analyzed. Specifically, the mean displacement values of the normal coordinates and expectation values of the square of the normal coordinates of different vibrational states are calculated. A good agreement between the converged full CI results and coupled cluster results is found for the lower lying vibrational states.

}, keywords = {CCLRT, Expectation values, Watson Hamiltonian}, isbn = {978-0-7354-1282-8}, issn = {0094-243X}, doi = {10.1063/1.4906658}, author = {Banik, Subrata and Pal, Sourav and Prasad, M. Durga}, editor = {Simos, TE and Maroulis, G} } @article { ISI:000365530700017, title = {Study of the nucleation and growth of antibiotic labeled Au NPs and blue luminescent Au-8 quantum clusters for Hg2+ ion sensing, cellular imaging and antibacterial applications}, journal = {Nanoscale}, volume = {7}, number = {47}, year = {2015}, month = {OCT}, pages = {19985-20002}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we report a detailed experimental study supported by DFT calculations to understand the mechanism behind the synthesis of cefradine (CFD - an antibiotic) labeled gold nanoparticles (Au NPs) by employing CFD as both a mild reducing and capping agent. The analysis of the effect of growth conditions reveals that a higher concentration of HAuCl4 results in the formation of an increasing fraction of anisotropic structures, higher temperature leads to the formation of quasi-spherical particles instead of anisotropic ones, and larger pH leads to the formation of much smaller particles. The cyclic voltammetry (CV) results show that when the pH of the reaction medium increases from 4 to 6, the reduction potential of CFD increases which leads to the synthesis of nanoparticles (in a pH 4 reaction) to quantum clusters (in a pH 6 reaction). The MALDI-TOF mass spectrometry results of supernatant of the pH 6 reaction indicate the formation of [Au-8(CFD)(2)S-6] QCs which show fluorescence at ca. 432 nm with a Stokes shift of ca. 95 nm. The blue luminescence from Au-8 QCs was applied for sensing of Hg2+ ions on the basis of an aggregation-induced fluorescence quenching mechanism and offers good selectivity and a high sensitivity with a limit of detection ca. 2 nM which is lower than the detection requirement of 10 nM by the U.S. EPA and 30 nM by WHO for drinking water. We have also applied the sensing probe to detect Hg2+ ions in bacterial samples. Further, we have investigated the antibacterial property of as-synthesized Au NPs using MIC, growth curve and cell survival assay. The results show that Au NPs could reduce the cell survival very efficiently rather than the cell growth in comparison to the antibiotic itself. The scanning electron microscopy study shows the degradation and blebbing of the bacterial cell wall upon exposure with Au NPs which was further supported by fluorescence microscopy results. These Au NPs did not show reactive oxygen species generation. We believe that the bacterial cytotoxicity is due to the direct contact of the Au NPs with bacterial cells.

}, issn = {2040-3364}, doi = {10.1039/c5nr05619e}, author = {Khandelwal, Puneet and Singh, Dheeraj K. and Sadhu, Subha and Poddar, Pankaj} } @article { ISI:000365602800014, title = {Study on fused/cast AZS refractories for deployment in vitrification of radioactive waste effluents}, journal = {Journal of Nuclear Materials}, volume = {467}, number = {1}, year = {2015}, month = {DEC}, pages = {144-154}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Fused/cast Al2O3-ZrO2-SiO2 (FC-AZS){\textquoteright} is being considered as {\textquoteleft}glass contact refractory{\textquoteright} within ceramic melters, to be used for nuclear waste immobilization. Microstructural analyses reveal random distributions of baddeleyite (ZrO2) within aluminosilicate (Al2SiO5) matrix. Al-27 and Si-29 NMR data suggest that within aluminosilicate matrix Al occurs in both 4- and 6-fold co-ordinations whereas Si prefers a 4-fold environment. Polydispersity of pores has been studied with small-angle neutron scattering (SANS) technique. Corrosion rates of FC-AZS within 6 M HNO3, simulated wastes (500 h exposure), and borosilicate melt (975 degrees C, 800 h exposure) are found to be 0.38 x 10(3) mu my(-1), 0.13 x 10(3) mu my(-1) and 4.75 x 10(3) mu my(-1) respectively. A comparison of chemical interaction data clearly suggests that FC-AZS exhibits better chemical durability than AZC refractory (Al2O3-ZrO2-Cr2O3, also used for similar purpose). Thermal cycling studies indicate that FC-AZS retains structural integrity (including compressive strength and density) even up to 20 cycles. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Interaction between refractory material and hazardous liquid, Nuclear waste immobilization, Vitrification melter}, issn = {0022-3115}, doi = {10.1016/j.jnucmat.2015.09.019}, author = {Sengupta, Pranesh and Mishra, Raman K. and Soudamini, N. and Sen, D. and Mazumder, S. and Kaushik, Chetan P. and Ajithkumar, Thalasseril G. and Banerjee, K.} } @article {45886, title = {Supported imidazole as heterogeneous catalyst for the synthesis of cyclic carbonates from epoxides and CO2}, journal = {Catalysis Communications}, volume = {59}, year = {2015}, month = {JAN }, pages = {201-205}, type = {Article}, abstract = {

Imidazole anchored onto a silica matrix, by means of a propyl linkage, is found to be an effective heterogeneous catalyst for the synthesis of cyclic carbonates from epoxides and CO2 in near quantitative yield. The versatility of this catalyst is demonstrated by using different substrates (epichlorohydrin, propylene oxide, butylene oxide and styrene oxide) for this cycloaddition reaction. These CO2 insertion reactions were typically carried out in the temperature range of 343 to 403 K at 0.6 MPa CO2 pressure under solvent-free conditions. Several spectroscopic methods were used to characterize the catalyst and study the integrity of the fresh and spent catalysts. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Anchored imidazole, CO2 utilization, cyclic carbonates, epoxides}, issn = {1566-7367}, doi = {10.1016/j.catcom.2014.10.026}, author = {Sankar, Meenakshisundaram and Ajithkumar, Thalasseril G. and Sankar, Gopinathan and Manikandan, Palanichamy} } @article { ISI:000349578400018, title = {Surface site modulations by conjugated organic molecules to enhance visible light activity of ZnO nanostructures in photocatalytic water splitting}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {6}, year = {2015}, month = {FEB}, pages = {3060-3067}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Surface modification of ZnO nanoparticles is identified as a method of modulating surface sites advantageously. ZnO nanoparticles of two different sizes are surface modified with a conjugated organic moiety to enable electron conduction and transfer. Enhanced H-2 evolution from water-methanol mixtures was observed in the composite systems compared to pristine ZnO under visible light irradiation without any cocatalyst. The system is also marginally active in water splitting in pure water without any sacrificial agents. Photophysical characterization indicates that even though reducing size into the nanoregime affects the band gap detrimentally, modifications by simple conjugated organic molecules assist in enhanced visible light activity. The experimental observations are corroborated with computational studies, which also point to a localization of valence band maximum of the interface on the organic moiety and conduction band minimum on ZnO.

}, issn = {1932-7447}, doi = {10.1021/jp511996z}, author = {George, Leena and Sappati, Subrahmanyam and Ghosh, Prasenjit and Devi, R. Nandini} } @article { ISI:000362243500018, title = {Surface-tuned Co3O4 nanoparticles dispersed on nitrogen-doped graphene as an efficient cathode electrocatalyst for mechanical rechargeable zinc-air battery application}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {38}, year = {2015}, month = {SEP}, pages = {21138-21149}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The most vital component of the fuel cells and metal air batteries is the electrocatalyst, which can facilitate the oxygen reduction reaction (ORR) at a significantly reduced overpotential. The present work deals with the development of surface-tuned cobalt oxide (Co3O4) nanoparticles dispersed on nitrogen-doped graphene as a potential ORR electrocatalyst possessing some unique advantages. The thermally reduced nitrogen-doped graphene (NGr) was decorated with three different morphologies of Co3O4 nanoparticles, viz., cubic, blunt edged cubic, and spherical, by using a simple hydrothermal method. We found that the spherical Co3O4 nanoparticle supported NGr catalyst (Co3O4-SP/NGr-24h) has acquired a significant activity makeover to display the ORR activity closely matching with the state-of-the-art Pt supported carbon (PtC) catalyst in alkaline medium. Subsequently, the Co3O4-SP/NGr-24h catalyst has been utilized as the air electrode in a Zn-air battery, which was found to show comparable performance to the system derived from PtC. Co3O4-SP/NGr-24h catalyst has shown several hours of flat discharge profile at the discharge rates of 10, 20, and 50 mA/cm(2) with a specific capacity and energy density of similar to 590 mAh/g(-zn) and,840 Wh/kg(-zn), respectively, in the primary Zn-air battery system. In conjunction, Co3O4-SP/NGr-24h has outperformed as an air electrode in mechanical rechargeable Zn-air battery as well, which has shown consistent flat discharge profile with minimal voltage loss at a discharge rate of 50 mA/cm(2). The present results, thus demonstrate that the proper combination of the tuned morphology of Co3O4 with NGr will be a promising and inexpensive material for efficient and ecofriendly cathodes for Zn-air batteries.

}, keywords = {electrocatalyst, mixed facets, oxygen reduction reaction, rechargeable zinc-air battery, surface morphology}, issn = {1944-8244}, doi = {10.1021/acsami.5b04865}, author = {Singh, Santosh K. and Dhavale, Vishal M. and Kurungot, Sreekumar} } @article { ISI:000356021300023, title = {Surfactant assisted formation of ruthenium nanochains under mild conditions and their catalytic CO oxidation activity}, journal = {Chemical Communications}, volume = {51}, number = {50}, year = {2015}, month = {MAY}, pages = {10178-10181}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Spontaneous formation of ruthenium nanochains is accomplished in aqueous medium under mild conditions using a seed mediated protocol with cetyl trimethylammonium bromide (CTAB) as the capping agent. They are formed due to the random self-assembly of Ru seeds of similar to 3.5 nm size. These 1D nanostructures exhibit better catalytic activity towards the oxidation of CO relative to the similar to 3.5 nmseeds and 6 nm Ru nanospheres. The synthesis strategy adopted here is found to be simple, facile and environmentally friendly.

}, issn = {1359-7345}, doi = {10.1039/c4cc09430a}, author = {Sreedhala, S. and Vinod, C. P.} } @article {43034, title = {Swarm and swim motilities of salmonella enterica serovar typhimurium and role of osmoregulated periplasmic glucans}, journal = {Microbiol Discov}, volume = {3}, year = {2015}, month = {JAN}, pages = {3-6}, doi = {10.7243/2052-6180-3-3}, author = {Dharne, Mahesh S. and Kannan, Porteen and Murphy, Charles and Smith, Allen and Bhagwat, Arvind A.} } @article { ISI:000354910500021, title = {Switching closed-shell to open-shell phenalenyl: toward designing electroactive materials}, journal = {Journal of the American Chemical Society}, volume = {137}, number = {18}, year = {2015}, month = {MAY}, pages = {5955-5960}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Open-shell phenalenyl chemistry started more than half a century back, and the first solid-state phenalenyl radical was realized only 15 years ago highlighting the synthetic challenges associated in stabilizing carbon-based radical chemistry, though it has great promise as building blocks for molecular electronics and multifunctional materials. Alternatively; stable closed-shell phenalenyl has tremendous potential as it can be utilized, to create an in situ open-shell state by external spin injection. In the present study, we have designed a closed-shell phenalenyl-based iron(III) complex, Fe-III(PLY)(3) (PLY-H = 9-hydroxyphenalenone) displaying an excellent electrocatalytic property as cathode material for one compartment membraneless H2O2 fuel cell. The power density output Of Fe-III(PLY)(3) is nearly 15-fold higher than the structurally related model compound Fe-III(acac)(3) (acac = acetylacetonate) and nearly 140-fold higher than an earlier reported mononuclear Fe(III) complex; Fe-III(Pc)Cl (Pc = pthalocyaninate), highlighting the role of switchable closed-shell phenalenyl moiety for electron-transfer process in designing electroactive materials.

}, issn = {0002-7863}, doi = {10.1021/jacs.5b00272}, author = {Pariyar, Anand and Vijaykumar, Gonela and Bhunia, Mrinal and Dey, Suman Kr. and Singh, Santosh K. and Kurungot, Sreekumar and Mandal, Swadhin K.} } @article { ISI:000358338300003, title = {Synthesis and antifungal potential of 1,2,3-triazole and 1,2,4-triazole thiol substituted strobilurin derivatives}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {54}, number = {7}, year = {2015}, month = {JUL}, pages = {908-917}, publisher = {COUNCIL SCIENTIFIC \& INDUSTRIAL RES}, address = {ANUSANDHAN BHAWAN, 2 RAFI MARG, NEW DELHI, 110001, INDIA}, abstract = {

beta-Methoxyacrylate group is an important pharmacophore of commercially used strobilurin fungicides. In the present study, a total of seventeen 1,2,4-triazole thiols 8a-h and 1,2,3-triazole substituted 10a-i strobilurin derivatives have been synthesized. 1,2,4-Triazole thiol substituted strobilurin derivatives 8a-h have been found to inhibit the growth of plant pathogens such as Fusarium oxysporum, Magnaporthe grisea, Drechslera oryzae and human pathogens Aspergillus fumigatus and different strains of Cryptococcus neoformans, with MIC in the range of 16-256 mu g/mL. In case of Candida albicans tested strain, the MIC is \> 256 mu g/mL. p-Chlorophenyl substituted 1,2,4-triazole thiol strobiulrin derivative 8e is the most potent inhibitor with MIC of 16-64 mu g/mL against most of the tested pathogens. Antifungal action of the compounds is due to inhibition of mitochondrial respiration. In the resazurin reduction assay, EC50 for inhibition of RZ reduction in D. oryzae by azoxystrobin and 8e are 3.42 +/- 0.03 mu g/mL and 3.63 +/- 0.21 mu g/mL, respectively; while in case of C. neoformans, EC50,, of azoxystrobin and 8e are between 0.65-0.85 mu g/mL. In a non-pathogenic model Benjaminiella poitrasii, though the MIC for all the synthesized compounds 8a-h and 10a-i are \> 256 mu g/ml, yeast to hypha transition is inhibited in the range of 21-75\% at 4 mu g/mL concentration while EC50 for inhibition of RZ reduction by azoxystrobin and 8e are 31.5 +/- 0.4 mu g/mL and 17.95 +/- 0.7 mu g/mL, respectively. The 50\% germ tube formation inhibition in case of C. albicans is observed at 108.49 mu g/mL. 1,2,4-Triazole thiol substituted strobilurin derivatives hold promise for the control of pathogenic fungi in agriculture and health care.

}, keywords = {1, 2, 3-triazole strobilurin, 4-triazole thiol strobilurin, antifungal, Strobilurin, Y-H transition inhibition}, issn = {0376-4699}, author = {Chaudhary, Preeti M. and Tupe, Santosh G. and Jorwekar, Shweta U. and Sant, Duhita G. and Deshpande, Sunita R. and Maybhate, Shailaja P. and Likhite, Anjali P. and Deshpande, Mukund V.} } @article {45939, title = {Synthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents}, journal = {MedChemComm}, volume = {6}, year = {2015}, month = {AUG}, pages = {2209-2215}, type = {Article}, abstract = {

A number of thieno[2,3-d]pyrimidin-4(3H)-ones were designed, synthesized and screened against Mycobacteria as a part of our program to develop new antitubercular agents. It was observed that some of the compounds have significant antimycobacterial activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743). The active compounds were studied for cytotoxicity against four cell lines and were found to be non-cytotoxic. The results showed that compounds 13b and 29e were found to exhibit very good antimycobacterial activity (MIC in the range of 6-8 mu M) and the thienopyrimidinones as a class have potential to be developed as antitubercular agents.

}, issn = {2040-2503}, doi = {10.1039/c5md00404g}, author = {Borate, Hanumant B. and Annadate, Ritesh A. and Vagh, Sandip S. and Pisal, Mahesh M. and Deokate, Sagar B. and Arkile, Manisha A. and Jadhav, Nandadeep J. and Nawale, Laxman U. and Sarkar, Dhiman} } @article {45927, title = {Synthesis, characterization of thiolated karaya gum and evaluation of effect of pH on its mucoadhesive and sustained release properties}, journal = {Carbohydrate Polymers}, volume = {130}, year = {2015}, month = {OCT }, pages = {183-190}, type = {Article}, abstract = {

Present study aims at synthesis and characterization of thiolated gum karaya by reacting karaya gum with 80\% thioglycolic acid resulting in esterification and immobilization of thiol groups on polymeric backbone. Immobilized thiol groups were found to be 5.026 mM/g determined by Ellman{\textquoteright}s method. It was characterized by FTIR, DSC and XRD. Directly compressible tablets prepared using thiolated gum displayed more disintegration time, swelling and mucoadhesion with increase in pH of medium simulating gastric and intestinal environment than plain gum. Controlled drug release for more than 24h by Fickian diffusion following Korsemeyer-Peppas model was observed with Metoprolol Succinate as a model drug as compared to plain gum which released more than 90\% of the drug within 2 h. Synthesized thiomer showed no cytotoxicity determined using HepG2 cell line. According to these results, thiolated gum karaya seems to be promising excipient for the development of mucoadhesive drug delivery systems. (C) 2015 Elsevier Ltd. All rights reserved.

}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2015.04.064}, author = {Bahulkar, Swati S. and Munot, Neha M. and Surwase, Sachin S.} } @article { ISI:000355856200084, title = {Synthesis, DNA interaction and anticancer activity of 2-anthryl substituted benzimidazole derivatives}, journal = {New Journal of Chemistry}, volume = {39}, number = {6}, year = {2015}, month = {APR}, pages = {4882-4890}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

2-Anthryl benzimidazole derivatives (5-7) with hydrogen, carboxyl and benzoyl substituents at the 5th position have been synthesized using a silica supported periodic acid catalyst. The DNA cleavage activity of 5-7 was studied in the presence of light using pBR322 plasmid DNA and was shown to vary with substitution at the 5th position of benzimidazole derivatives. DNA binding studies using ethidium bromide displacement assay demonstrated the non-intercalative binding mode of 5-7. The anticancer activity of these target molecules was tested against MCF-7 and HL-60 cell lines, and they exhibited remarkable activity in the micromolar range. Cellular uptake and morphological changes were confirmed by fluorescence and confocal microscopy. A molecular docking study was carried out to explore the DNA binding mechanism of 5-7.

}, issn = {1144-0546}, doi = {10.1039/c4nj02415j}, author = {Sontakke, Vyankat A. and Kate, Anup N. and Ghosh, Sougata and More, Piyush and Gonnade, Rajesh G. and Kumbhar, Navanath M. and Kumbhar, Anupa A. and Chopade, Balu Ananda and Shinde, Vaishali S.} } @proceedings {42929, title = {Synthesis of GdB6 nanostructures using nanosecond (Nd: YAG) laser: field emission investigation}, year = {2015}, month = {JUL}, pages = {122-123}, publisher = {IEEE, 345 E 47th ST, New York, NY 10017 USA}, address = {Guangzhou, Peoples R China}, abstract = {

We herein report field emission characteristics of GdB6 nanostructures grown directly on a pellet via laser processing (laser fluence similar to 6 J/cm(2)). The laser processed GdB6 pellet was characterized by X-ray diffraction, which revealed no change in phase upon laser processing. The values of the turn-on field required to draw emission current density of 1 mu A/cm(2) is found to be similar to 2.95 V/mu m, for the laser processed GdB6 emitter. Furthermore, the Fowler-Nordheim (F-N) plot exhibits non-linear behavior over the entire range of applied field and the field enhancement factor (beta) calculated from slope of the F-N plot (low field region) was found to be similar to 543. The emission current stability over a period of 3h was observed to be fairly good. The observed results demonstrate that laser processing can be efficiently used to make GdB6 nanostructure emitter having potential for practical applications.

}, author = {Suryawanshi, S. R. and Late, Dattatray J. and More, Mahendra A. and Singh, Anil K. and Sinha, S.} } @article {43035, title = {Synthesis of N, F and S co-doped graphene quantum dots}, journal = {Nanoscale}, volume = {7}, year = {2015}, month = {MAY}, pages = {11515-11519}, abstract = {

Graphene quantum dots (GQDs) are a promising category of materials with remarkable size dependent properties like tunable bandgap and photoluminescence along with the possibility of effective chemical functionalization. Doping of GQDs with heteroatoms is an interesting way of regulating their properties. Herein, we report a facile and scalable one-step synthesis of luminescent GQDs, substitutionally co-doped with N, F and S, of similar to 2 nm average size by a microwave treatment of multi-walled carbon nanotubes in a customized ionic liquid medium. The use of an ionic liquid coupled with the use of a microwave technique enables not only an ultrafast process for the synthesis of co-doped GQDs, but also provides excellent photoluminescence quantum yield (70\%), perhaps due to the interaction of defect clusters and dopants.

}, author = {Kundu, Sumana and Yadav, Ram Manohar and Narayanan, T. N. and Shelke, Manjusha V. and Vajtai, Robert and Ajayan, Pulickel M. and Pillai, Vijayamohanan K.} } @article { ISI:000356927800001, title = {Synthesis of novel N-cyclopentenyl-lactams using the aube reaction}, journal = {Beilstein Journal of Organic Chemistry}, volume = {11}, year = {2015}, month = {JUN}, pages = {1060-1067}, publisher = {BEILSTEIN-INSTITUT}, address = {TRAKEHNER STRASSE 7-9, FRANKFURT AM MAIN, 60487, GERMANY}, abstract = {

A novel and convenient method utilizing the Aube reaction to access a new class of compounds that are similar to carbocyclic nucleosides is reported. The azido alcohol derived from Vince lactam undergoes the Aube reaction with various cyclic ketones to give cyclopentenyl-substituted lactams. Upon dihydroxylation, this affords the N-cyclopentenyl-lactam compounds in racemic form. Given the numerous uses of nucleosides and related compounds, we were interested in the synthesis of carbocylic nucleoside mimics. The attempts and results are described herein.

}, keywords = {Aube reaction, Biological activity, carbocyclic nucleosides, cyclopentenylated lactams, cyclopentylated lactams}, issn = {1860-5397}, doi = {10.3762/bjoc.11.119}, author = {Shinde, Madhuri V. and Ople, Rohini S. and Sangtani, Ekta and Gonnade, Rajesh G. and Reddy, D. Srinivasa} } @article { ISI:000358337700009, title = {Synthesis, optoelectronic, and transistor properties of BODIPY- and cyclopenta[c]thiophene-containing pi-conjugated copolymers}, journal = {Journal of Physical Chemistry C}, volume = {119}, number = {28}, year = {2015}, month = {JUL}, pages = {15859-15867}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Three new low-band-gap copolymers were synthesized by fusing dipyrromethene difluoroborane (BODIPY) as the acceptor (A) and thiophene-capped 5,5-bis(hexyloxymethyl)-5,6-dihydro-4H-cyclopenta[c]-thiophene (CPT) as the donor (D). The BODIPY unit was copolymerized through the {\textquoteleft}alpha{\textquoteright} positions (1 and 7 positions) in P1 and through the {\textquoteleft}beta{\textquoteright} positions (2 and 6 positions) in P2 and P3. The additional acetylene unit between D and A in P3 enhanced the conjugation by minimizing the possible steric hindrance compared to that in P2, whereas P1 exhibited a more red-shifted absorption than P2 and P3 because of the more effective conjugaion through the {\textquoteleft}alpha{\textquoteright} positions of BODIPY. Importantly, the optical band gaps (E-g(opt)) obtained from the onset of the absorption spectra are 1.28, 1.71, and 1.57 eV for P1, P2, and P3, respectively. P1 has the lowest band gap for any CPT-containing polymer. In the best transistor devices, a mobility improvement by 4 orders of magnitude from 3.22 x 10(-6) cm(2) V-1 s(-1) for P2 to 0.01 cm(2) V-1 s(-1) for P1 was achieved. DFT calculations alongside measured charge-transport properties indicated that appreciable alterations in the optoelectronic properties of the polymers were achieved through minor changes in their structural features. The polymers were further characterized by thin-film X-ray diffraction, atomic force microscopy, and spectroelectrochemistry to investigate their material and electrochemical properties.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b02743}, author = {Debnath, Sashi and Singh, Saumya and Bedi, Anjan and Krishnamoorthy, Kothandam and Zade, Sanjio S.} } @article { ISI:000354108200006, title = {Tailor made ionic liquids: catalyst and media for organic transformations}, journal = {Current Organic Chemistry}, volume = {19}, number = {8}, year = {2015}, month = {FEB}, pages = {728-742}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Ionic liquids are considered as one of the safe, green and environmentally benign solvents/catalysts for many organic reactions. Particularly, imidazolium based ionic liquids attracted much attention in basic as well as applied research. The major role of these ionic liquids is the replacement of the existing corrosive solvents, which are largely used in most of the organic processes and make these processes more eco-friendly. Recent report reveals the importance of imidazolium based ionic liquids, supported on silica gel or polystyrene in catalysis. The solid supports have well versed properties such as easy anchoring of ionic liquid, chemically and mechanically very stable and inert in nature. These ionic liquids can be tailored either by covalent attachment or simple deposition of the ionic liquid on the surface of the support. Both approaches showed enhanced reactivity and selectivity for various reactions. In this review, we made an attempt to review the recent reports related to synthesis and applications of tailor made ionic liquids and their use as catalyst in Aldol, Friedel-Crafts alkylation, hydroformylation, nucleophilic substitution and biomass transformation reactions.

}, keywords = {Green solvent, heterogeneous catalyst, organic transformation, sustainable process, task-specific ionic liquids}, issn = {1385-2728}, author = {Chandra, Prakash and Shinde, Sandip S. and Biradar, Ankush V.} } @article { ISI:000350754400004, title = {Target cum flexibility: synthesis of indolo[1,2-b]isoquinoline derivatives via cobalt-catalyzed [2+2+2] cyclotrimerization}, journal = {Synlett}, volume = {26}, number = {5}, year = {2015}, month = {MAR}, pages = {604-608}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A modular approach for the synthesis of small molecules having the unnatural 6,11-dihydroindolo[1,2-b]isoquinoline tetracyclic core has been documented. An acid-catalyzed Friedel-Crafts-type C2-alkylation of N-propargyl indole with a suitably activated alkynol has been used to prepare the key indole-derived diynes. The cobalt-catalyzed [2+2+2] cyclotrimerization of these diynes has been studied with various internal/terminal alkynes and with nitriles.

}, keywords = {2-b]-isoquinoline, cobalt, Indole, indolo[1, Pyridine, [2+2+2] cyclotrimerization}, issn = {0936-5214}, doi = {10.1055/s-0034-1379950}, author = {Swami, Anuradha and Ramana, Chepuri V.} } @article { ISI:000362437900092, title = {Targeting a chemorefractory COLO205 (BRAF V600E) cell line using substituted benzo[alpha]phenoxazines}, journal = {RSC Advances}, volume = {5}, number = {100}, year = {2015}, month = {SEP}, pages = {82549-82563}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Mutational activations of the oncogene BRAF (especially BRAF V600E) result in a poor prognosis for colon cancer patients and are associated with chemoresistance rendering them refractory to treatment. The development of novel bioactive compounds with specific targeting abilities under such conditions is an urgent need in drug discovery. In this report we synthesize and characterize three fluorescent benzo[alpha]phenoxazine compounds (10R-benzo[alpha]phenoxazine-5-one, 1B; R = Cl, 2B; R = CH3, 3B; R = H) and their anticancer activities are evaluated in a COLO205 cell line. All three compounds with a log P value around 2 were cell permeable. However, 2B and 3B showed specific cytotoxicity in a malignant COLO205 cell line with a BRAF mutation (V600E) in comparison to a non-malignant wild-type BRAF HEK293T cell line. From further cell-based assays (cell cycle analysis, DNA fragmentation and caspase activation), we conclude that 2B and 3B treatment-induced selective cell death by inducing cell cycle arrest at the G0/G1 phase and caspase-mediated apoptosis (activation of the intrinsic and extrinsic pathways) are present only in BRAF V600E COLO205 cells. Further studies in the drug discovery pipeline might help develop these benzo[alpha]phenoxazines as promising chemotherapeutics for such refractory mutated cancers.

}, issn = {2046-2069}, doi = {10.1039/c5ra14949e}, author = {Pal, Sanjima and Konkimalla, V. Badireenath and Kathawate, Laxmi and Rao, Soniya S. and Gejji, Shridhar P. and Puranik, Vedavati G. and Weyhermueller, Thomas and Salunke-Gawali, Sunita} } @article { ISI:000347890900011, title = {Targeting dormant tuberculosis bacilli: results for molecules with a novel pyrimidone scaffold}, journal = {Chemical Biology \& Drug Design}, volume = {85}, number = {2}, year = {2015}, month = {FEB}, pages = {201-207}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Our inability to completely control TB has been due in part to the presence of dormant mycobacteria. This also renders drug regimens ineffective and is the prime cause of the appearance of drug-resistant strains. In continuation of our efforts to develop novel antitubercular agents that especially target dormant mycobacteria, a set of 55 new compounds belonging to the pyrimidone class were designed on the basis of CoMFA and CoMSIA studies, and these were synthesized and subsequently tested against both the dormant and virulent BCG strain of M.tuberculosis. Some novel compounds have been identified which selectively inhibit the dormant tuberculosis bacilli with significantly low IC50 values. This study reports the second molecule after TMC-207, having the ability to inhibit tuberculosis bacilli exclusively in its dormant phase. The synthesis was accomplished by a modified multicomponent Biginelli reaction. A classification model was generated using the binary QSAR approach - recursive partitioning (RP) to identify structural characteristics related to the activity. Physicochemical, structural, topological, connectivity indices, and E-state key descriptors were used for generation of the decision tree. The decision tree could provide insights into structure-activity relationships that will guide the design of more potent inhibitors.

}, keywords = {Antitubercular activity, dormant tuberculosis bacilli, pyrimidones, recursive partitioning}, issn = {1747-0277}, doi = {10.1111/cbdd.12373}, author = {Joshi, Rohit R. and Barchha, Avinash and Khedkar, Vijay M. and Pissurlenkar, Raghuvir R. S. and Sarkar, Sampa and Sarkar, Dhiman and Joshi, Rohini R. and Joshi, Ramesh A. and Shah, Anamik K. and Coutinho, Evans C.} } @article { ISI:000364355500044, title = {Temperature-dependent raman spectroscopy of titanium trisulfide (TiS3) nanoribbons and nanosheets}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {43}, year = {2015}, month = {NOV}, pages = {24185-24190}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Titanium trisulfide (TiS3) has recently attracted the interest of the 2D community because it presents a direct bandgap of similar to 1.0 eV, shows remarkable photoresponse, and has a predicted carrier mobility up to 10000 cm(2) V-1 s(-1). However, a study of the vibrational properties of TiS3, relevant to understanding the electron-phonon interaction that can be the main mechanism limiting the charge carrier mobility, is still lacking. In this work, we take the first steps to study the vibrational properties of TiS3 through temperature-dependent Raman spectroscopy measurements of TiS3 nanoribbons and nanosheets. Our investigation shows that all the Raman modes linearly soften (red shift) as the temperature increases from 88 to 570 K due to anharmonic vibrations of the lattice, which also includes contributions from the lattice thermal expansion. This softening with the temperature of the TiS3 modes is more pronounced than that observed in other 2D semiconductors, such as MoS2, MoSe2, WSe2, and black phosphorus (BP). This marked temperature dependence of the Raman spectra could be exploited to determine the temperature of TiS3 nanodevices by using Raman spectroscopy as a noninvasive and local thermal probe. Interestingly, the TiS3 nanosheets show a stronger temperature dependence of the Raman modes than the nanoribbons, which we attribute to lower interlayer coupling in the nanosheets.

}, keywords = {2D semiconductors, layered materials, Raman spectroscopy, thermal effect, TiS3 nanoribbons, TiS3 nanosheets}, issn = {1944-8244}, doi = {10.1021/acsami.5b07492}, author = {Pawbake, Amit S. and Island, Joshua O. and Flores, Eduardo and Ramon Ares, Jose and Sanchez, Carlos and Ferrer, Isabel J. and Jadkar, Sandesh R. and van der Zant, Herre S. J. and Castellanos-Gomez, Andres and Late, Dattatray J.} } @article { ISI:000363023500010, title = {Temporal protein expression pattern in intracellular signalling cascade during T-cell activation: a computational study}, journal = {Journal of Biosciences}, volume = {40}, number = {4}, year = {2015}, month = {OCT}, pages = {769-789}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Various T-cell co-receptor molecules and calcium channel CRAC play a pivotal role in the maintenance of cell{\textquoteright}s functional responses by regulating the production of effector molecules (mostly cytokines) that aids in immune clearance and also maintaining the cell in a functionally active state. Any defect in these co-receptor signalling pathways may lead to an altered expression pattern of the effector molecules. To study the propagation of such defects with time and their effect on the intracellular protein expression patterns, a comprehensive and largest pathway map of T-cell activation network is reconstructed manually. The entire pathway reactions are then translated using logical equations and simulated using the published time series microarray expression data as inputs. After validating the model, the effect of in silico knock down of co-receptor molecules on the expression patterns of their downstream proteins is studied and simultaneously the changes in the phenotypic behaviours of the T-cell population are predicted, which shows significant variations among the proteins expression and the signalling routes through which the response is propagated in the cytoplasm. This integrative computational approach serves as a valuable technique to study the changes in protein expression patterns and helps to predict variations in the cellular behaviour.

}, keywords = {Boolean model, co-receptors and CRAC channel, synchronous and asynchronous simulation, T-cell signalling pathway, temporal gene expression patterns}, issn = {0250-5991}, doi = {10.1007/s12038-015-9561-1}, author = {Ganguli, Piyali and Chowdhury, Saikat and Bhowmick, Rupa and Sarkar, Ram Rup} } @article { ISI:000346236000077, title = {Thermodynamic and kinetic characterization of transmembrane helix association}, journal = {Physical Chemistry Chemical Physics}, volume = {17}, number = {2}, year = {2015}, month = {NOV}, pages = {1390-1398}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The transient dimerization of transmembrane proteins is an important event in several cellular processes and computational methods are being increasingly used to quantify their underlying energetics. Here, we probe the thermodynamics and kinetics of a simple transmembrane dimer to understand membrane protein association. A multi-step framework has been developed in which the dimerization profiles are calculated from coarse-grain molecular dynamics simulations, followed by meso-scale simulations using parameters calculated from the coarse-grain model. The calculated value of Delta G(assoc) is approx. -20 kJ mol(-1) and is consistent between three methods. Interestingly, the meso-scale stochastic model reveals low dimer percentages at physiologically-relevant concentrations, despite a favorable Delta G(assoc). We identify generic driving forces arising from the protein backbone and lipid bilayer and complementary factors, such as protein density, that govern self-interactions in membranes. Our results provide an important contribution in understanding membrane protein organization and linking molecular, nano-scale computational studies to meso-scale experimental data.

}, issn = {1463-9076}, doi = {10.1039/c4cp03732d}, author = {Pawar, Aiswarya B. and Deshpande, Sneha A. and Gopal, Srinivasa M. and Wassenaar, Tsjerk A. and Athale, Chaitanya A. and Sengupta, Durba} } @article { ISI:000364074300007, title = {Titanium superoxide - a stable recyclable heterogeneous catalyst for oxidative esterification of aldehydes with alkylarenes or alcohols using TBHP as an oxidant}, journal = {Organic \& Biomolecular Chemistry}, volume = {13}, number = {43}, year = {2015}, month = {SEP}, pages = {10631-10640}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Titanium superoxide efficiently catalysed the oxidative esterification of aldehydes with alkylarenes or alcohols, under truly heterogeneous conditions, to afford the corresponding benzyl and alkyl esters in excellent yields. Mechanistic studies have established that this {\textquoteleft}{\textquoteleft}one pot{\textquoteright}{\textquoteright} direct oxidative esterification process proceeds through a radical pathway, proven by a FTIR spectral study of a titanium superoxide-aldehyde complex as well as spin trapping experiments with TEMPO. The intramolecular version of this protocol has been successfully demonstrated in the concise synthesis of 3-butylphthalide, an anti-convulsant drug.

}, issn = {1477-0520}, doi = {10.1039/c5ob01586c}, author = {Dey, Soumen and Gadakh, Sunita K. and Sudalai, A.} } @article { ISI:000354211100055, title = {Tolbutamide induces conformational change and promotes albumin glycation}, journal = {RSC Advances}, volume = {5}, number = {50}, year = {2015}, month = {APR}, pages = {40070-40075}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Tolbutamide is a first generation sulfonylurea drug used for the treatment of type II diabetes. In the present study, the effect of tolbutamide on albumin conformation was investigated using BSA as a model protein. The binding of tolbutamide induced a conformational change in albumin, which was confirmed by thioflavin T assay, ANS assay, and CD spectroscopy. Computer simulations suggested that the binding of tolbutamide increases the solvent accessibility of lysine residues, the hotspots of glycation. Furthermore, the change in conformation of albumin facilitates increased glycation, which was observed by AGE specific fluorescence and the results were corroborated by mass spectrometric analysis. This study suggested that tolbutamide enhances albumin glycation by inducing conformational change in BSA and hence could be a potential risk factor if used for a prolonged period.

}, issn = {2046-2069}, doi = {10.1039/c5ra03839a}, author = {Bansode, Sneha B. and Batkulwar, Kedar B. and Warkad, Shrikant D. and Jana, Asis K. and Sengupta, Neelanjana and Kulkarni, Mahesh J.} } @article { ISI:000352463200009, title = {Total synthesis and structural revision of mycalol, an anticancer natural product from the marine source}, journal = {Organic Letters}, volume = {17}, number = {7}, year = {2015}, month = {APR}, pages = {1652-1655}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The total synthesis of an anticancer (anaplastic thyroid) natural lipid mycalol has been accomplished for the first time. Synthesis of originally proposed structure necessitated the revision of structure in which the position of acetate group moved from C20 to C19 and a change in stereochemistry of the glycerol unit.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b00345}, author = {Seetharamsingh, B. and Rajamohanan, P. R. and Reddy, D. Srinivasa} } @article {45946, title = {Towards comprehension of complex chemical evolution and diversification of terpene and phenylpropanoid pathways in Ocimum species}, journal = {RSC Advances}, volume = {5}, year = {2015}, month = {NOV}, pages = {106886-106904}, type = {Article}, abstract = {

Ocimum species present a wide array of diverse secondary metabolites possessing immense medicinal and economic value. The importance of this genus is undisputable and exemplified in the ancient science of Chinese and Indian (Ayurveda) traditional medicine. Unlike several other plant species of Artemisia, Salvia, Catharanthus, Taxus, Mentha, etc. that are largely exploited, detailed characterization and identification of important metabolites from Ocimum species remained unexplored. Till date, most of the analyzed Ocimum species are predominantly rich in either phenylpropanoids or terpenoids. Metabolite data suggests domination of a unique set of signature compounds in all species. However, molecular pathways leading to the production, accumulation and metabolism of these compounds are poorly understood. The past few years have witnessed an upsurge in our understanding of the complex and intricately woven secondary metabolic pathways. Such information is generated through systematic analysis and correlation of metabolite profiling with transcriptomics data sets from different Ocimum species. The present review is aimed at integrating our current knowledge to understand the active secondary metabolic pathways, the key players in flux regulation including external stimuli, differential gene expression, transcription factors, microRNAs, enzyme promiscuity, etc. Extensive analysis of available data identifies events that may have contributed to evolve Ocimum species rich with a specific set of metabolites, thus, shedding light on pathway diversification. We believe that a better understanding of the multi-level regulation of intermediates and metabolites will help us harness the inherent diversity of Ocimum species optimally.

}, issn = {2046-2069}, doi = {10.1039/c5ra16637c}, author = {Singh, Priyanka and Kalunke, Raviraj M. and Giri, Ashok P.} } @article { ISI:000355656000012, title = {Tuning magnetic behavior of nanoscale cobalt sulfide and its nanocomposite with an engineering thermoplastic}, journal = {Journal of Electronic Materials}, volume = {44}, number = {7}, year = {2015}, month = {JUL}, pages = {2308-2311}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Nanocomposites containing magnetic nanoparticles embedded in a polymer matrix with good thermal stability (up to 200A degrees C) are technologically important. We report an environmentally benign solid-solid approach for synthesis of cobalt sulfide and its nanocomposite using a thermally stable matrix of polyphenylene sulfide. Physicochemical characterizations reveal the formation of nanoclusters of the hexagonal phase CoS. Even though bulk CoS is nonmagnetic, magnetization studies exhibit anomalous magnetic behavior for phase-pure nanoscale CoS and its nanocomposites.

}, keywords = {Nanocomposite, polyphenylene sulfide, Solid-solid reaction, superparamagnetic}, issn = {0361-5235}, doi = {10.1007/s11664-015-3753-1}, author = {Rumale, Narendra and Arbuj, Sudhir S. and Umarji, Govind and Shinde, Manish and Mulik, Uttam P. and Joy, Pattayil Alias and Amalnerkar, Dinesh P.} } @conference {45944, title = {Two phase flow boiling pressure drop in small channels}, booktitle = {IUTAM Symposium on multiphase flows with phase change: challenges and opportunities}, year = {2015}, month = {DEC}, publisher = {IUTAM, Dept Sci Technol India; Ministry Earth Sciences; CSIR; Natl Sci Fdn, USA; Intel Ansys Fujitsu \& TSI India}, organization = {IUTAM, Dept Sci Technol India; Ministry Earth Sciences; CSIR; Natl Sci Fdn, USA; Intel Ansys Fujitsu \& TSI India}, address = {SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Two-phase pressure drop, flow instability and boiling regime identifications are an essential step in the design of a variety of plant in the power and process industries. Despite the wide spread applications, significant experimental data on flow boiling in small channel is not available. In the present work, experimental set-up was designed for studying boiling flows in 19 mm ID tube and identifies flow regimes at various mass and heat flux conditions by varying inlet fluid temperature. The steady-state pressure data was collected and flow regimes identified using pressure drop and pressure fluctuations inside the channel. (C) 2015 The Authors. Published by Elsevier B.V.

}, keywords = {flow boiling, flow instability, pressure drop, regime identification}, doi = {10.1016/j.piutam.2015.04.044}, author = {Sardeshpande, Madhavi V. and Shastri, Parikshit and Ranade, Vivek V.}, editor = {Sahu, KC} } @article {43042, title = {Understanding visceral leishmaniasis disease transmission and its control - a study based on mathematical modelling}, journal = {Mathematics}, volume = {3}, year = {2015}, month = {SEP}, pages = {913-344}, doi = {10.3390/math3030913}, author = {Subramanian, Abhishek and Singh, Vidhi and Sarkar, Ram Rup} } @article { ISI:000364585200026, title = {Unraveling the success and failure of mode coupling theory from consideration of entropy}, journal = {Journal of Chemical Physics}, volume = {143}, number = {17}, year = {2015}, month = {NOV}, pages = {174504}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

We analyze the dynamics of model supercooled liquids in a temperature regime where predictions of mode coupling theory (MCT) are known to be valid qualitatively. In this regime, the Adam-Gibbs (AG) relation, based on an activation picture of dynamics, also describes the dynamics satisfactorily, and we explore the mutual consistency and interrelation of these descriptions. Although entropy and dynamics are related via phenomenological theories, the connection between MCT and entropy has not been argued for. In this work, we explore this connection and provide a microscopic derivation of the phenomenological Rosenfeld theory. At low temperatures, the overlap between the MCT power law regime and AG relation implies that the AG relation predicts an avoided divergence at T-c, the origin of which can be related to the vanishing of pair configurational entropy, which we find occurring at the same temperature. We also show that the residual multiparticle entropy plays an important role in describing the relaxation time. (C) 2015 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4934986}, author = {Nandi, Manoj Kumar and Banerjee, Atreyee and Sengupta, Shiladitya and Sastry, Srikanth and Bhattacharyya, Sarika Maitra} } @article { ISI:000351236300059, title = {UV-assisted size sampling and antibacterial screening of lantana camara leaf extract synthesized silver nanoparticles}, journal = {RSC Advances}, volume = {5}, number = {31}, year = {2015}, month = {FEB}, pages = {24513-24520}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Green route synthesized silver nanoparticles are extremely toxic to multidrug resistant bacteria and have widespread applications in biomedical science. If the silver reducing weed extract possesses antimicrobial properties then it can additionally contribute to the medicinal activity. Herein, we present a synthesis of silver nanoparticles by using the weed plant Lantana camara{\textquoteright}s leaf extract. This study shows an easy, quick and cost-effective route to silver nanoparticle synthesis. Size controlled synthesis of Ag-0 nanoparticles is studied and discussed based on optical absorption, photoluminescence, dynamic light scattering (DLS), zeta potential, infrared spectroscopy, X-ray diffraction measurements, FE-SEM and TEM analysis. The synthesis of silver nanoparticles via this green approach shows very high antibacterial activity against E coli (Gram -ve) and S. aureus (Gram +ve) bacteria at a very low concentration (50 ppm Ag nanoparticles). Use of such eco-friendly nanoparticles may open a door for a new range of bactericidal agents.

}, issn = {2046-2069}, doi = {10.1039/c4ra17233g}, author = {Singh, Pradeep Kumar and Bhardwaj, Kirti and Dubey, Parul and Prabhune, Asmita} } @article { ISI:000347302000013, title = {Vanadium in borosilicate glass}, journal = {Journal of the American Ceramic Society}, volume = {98}, number = {1}, year = {2015}, month = {JAN}, pages = {88-96}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Understanding the role of V2O5 within borosilicate glass matrices is important for the development of novel matrices toward immobilization of sulfate containing high-level nuclear wastes. Present investigation shows, within sodium barium borosilicate glass matrix V2O5 can be homogeneously added up to 5mol\% and beyond which it separates out into three phases, for example, (i) silica (ii) Barium (Ba) - Vanadium (V) oxide, and (iii) glass matrix. Si-29 MAS NMR (Nuclear Magnetic Resonance) studies of the samples show that below 5mol\% V2O5 addition, silicate network is dominantly constituted of Q(2) and Q(3) structural units, whereas above this, the network gets more polymerized through formation of Q(3) and Q(4) units. In case of borate network, B-11 MAS NMR investigations revealed that the concentration of BO4 [(0B, 4Si)] unit increases gradually up to 5mol\% and then it decreases at the cost of BO4 [(1B, 3Si)], BO3 (symmetric) and BO3 (asymmetric) units. Micro-Raman analyses of the samples showed that with additions of V2O5 in diluted concentrations, amorphous silicate network remained unaltered, whereas some amplification in signals corresponding to ring-type metaborate and VO5 units exists. It is therefore apparent from both MAS-NMR and micro-Raman studies that with V2O5 additions within the solubility limit (5mol\%), borate network gets depolymerized leading to decrease in hardness from an average value of 5.0-4.2GPa.

}, issn = {0002-7820}, doi = {10.1111/jace.13303}, author = {Sengupta, Pranesh and Dey, Krishna K. and Halder, Rumu and Ajithkumar, Thalasseril G. and Abraham, Geogy and Mishra, Raman K. and Kaushik, Chetan P. and Dey, Goutam K.} } @article { ISI:000359136500056, title = {Vapour-liquid-solid growth of one-dimensional In2Se3 nanostructures and their promising field emission behaviour}, journal = {RSC Advances}, volume = {5}, number = {80}, year = {2015}, month = {JUL}, pages = {65274-65282}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Single crystalline ultra long In2Se3 nanowires have been grown by employing a single step facile thermal evaporation route under optimized conditions on Au/Si wafers, and morphology dependent field emission investigations on the In2Se3 nanostructure at the base pressure -1 x 10(-8) mbar are explored. In addition, structural and morphological analysis of as-synthesized In2Se3 nanostructures has been carried out using XRD, SEM and TEM. A plausible explanation of the vapor-solid-liquid (VLS) growth mechanism based on the experimental results and reported literature has been presented. Furthermore, field emission measurements demonstrate remarkably enhanced emission behaviour, which is explained on the basis of the field enhancement factor and aspect ratio of the nanostructures. The synthesized In25e3 nanowire emitter delivers a very high current density of -1.2 mA cm(-2) at an applied electric field of -6.33 cm(-1). The present results demonstrate In2Se3 as an important candidate for potential applications in nano/micro-electronic devices.

}, issn = {2046-2069}, doi = {10.1039/c5ra10160c}, author = {Suryawanshi, Sachin R. and Bankar, Prashant K. and More, Mahendra A. and Late, Dattatray J.} } @article {43033, title = {Viridians group streptococci in patients undergoing tooth extraction}, journal = {European Journal of General Medicine}, volume = {12}, year = {2015}, month = {SEP}, pages = {227-233}, abstract = {

The aerobic microflora of the oral cavity consists of viridians group of streptococci (VGS). The present study was carried out with an objective to evaluate the prevalence of VGS in patients undergoing tooth extraction and to study their antibiotic susceptibility pattern. Samples of subgingival dental plaques for microbiological studies were collected from 80 patients undergoing tooth extraction. The isolated streptococci were identified along with their antibacterial susceptibilities by automated Vitek 2 (bioM{\'e}rieux) system in accordance with CLSI standards. A total of 260 VGS strains belonging to 05 phenotypic groups, namely mutans, salivarius, anginosus, sanguinus and mitis groups; along with few strains of Granulicatella like G. adiacens and G. elegans. Altogether a total of 15 species were isolated from the subgingival plaque of 80 patients undergoing tooth extraction. Among the 15 antibiotics tested, highest resistance was observed to lincosamides (36.2\%) followed by macrolides (29.7\%), tetracyclines (17.7\%), cephems (15.1\%), fluoroquinolones (14.4\%), oxazolidinones (13.5\%), streptogramins (12.7 \%) and penicillins (7.9\%). However, all the 260 VGS strains were found susceptible to vancomycin and linezolid. In the subgingival plaque of patients undergoing tooth extraction, approximately 70\% of streptococci belonged to three VGS groups, i.e. mitis, sanguinis and mutans groups. Streptococci of salivarus and anginosus groups were isolated sporadically (5\%). Highest resistance was observed to lincosamides and macrolides (29.7\%). Multiple antibiotic resistance was observed in mitis and salivarius group.

}, doi = {10.15197/sabad.1.12.48}, author = {Dhotre, Shree V. and Dharne, Mahesh S. and Potdar, S. and Suklikar, J. and Suryawanshi, Namdev and Nagoba, Basavraj} } @article { ISI:000355360200058, title = {Vitellibacter nionensis sp nov., isolated from a shallow water hydrothermal vent}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {65}, number = {2}, year = {2015}, month = {FEB}, pages = {692-697}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

A novel, Gram-stain-negative, non-motile, rod-shaped yellow bacterium, designated VBW088(T) was isolated from a shallow water hydrothermal vent in Espalamaca in the Azores. Phylogenetic analysis based on 16S rRNA gene sequences showed that strain VBW088(T) clustered with three type strains of species of the genus Vitellibacter and exhibited a sequence similarity of 97.3\% with Vitellibacter soesokkakensis RSSK-12(T). However, strain VBW088(T) and V. soesokkakensis RSSK-12(T) exhibited low DNA-DNA relatedness (12.7 +/- 3.5 \%). Strain VBW088(T) was positive for catalase and oxidase. Growth occurred at 10-37 degrees C, with the optimum at 80 degrees C, and at pH 6.0-8.0 (optimum pH 6.0) and in up to 5\% (w/v) NaCl with optimum growth at 1-2\% (w/v) NaCl. The major fatty acids (\>10\%) were iso-C-15:0 (33.5\%) and iso-C-17:0 3-OH (32.0\%). The polar lipids detected in strain VBW088(T) consisted of phosphatidylethanolamine, one unidentified aminolipid and three unidentified phospholipids. The DNA G+C content of strain VBW088(T) was 36.7 mol\%. On the basis of phylogenetic inference, DNA-DNA relatedness, chemotaxonomic analysis and physiological data, the isolate represents a novel species of the genus Vitellibacter, for which the name Vitellibacter nionensis sp. nov. is proposed, with the type strain as VBW088(T). (=KCTC 32420(T)=MCC 2354(T)).

}, issn = {1466-5026}, doi = {10.1099/ijs.0.070805-0}, author = {Rajasabapathy, Raju and Mohandass, Chellandi and Yoon, Jung-Hoon and Dastager, Syed Gulam and Liu, Qing and Thi-Nhan Khieu and Chu Ky Son and Li, Wen-Jun and Colaco, Ana} } @article { ISI:000350194500001, title = {Void fraction measurement using electrical capacitance tomography and high speed photography}, journal = {Chemical Engineering Research \& Design}, volume = {94}, year = {2015}, month = {FEB}, pages = {1-11}, publisher = {INST CHEMICAL ENGINEERS}, address = {165-189 RAILWAY TERRACE, DAVIS BLDG, RUGBY CV21 3HQ, ENGLAND}, abstract = {

Gas-liquid flows are encountered in variety of industrial applications including boilers, distillation towers, chemical reactors, oil pipelines, nuclear reactors etc. The measurement of two-phase flow parameters such as flow regime and void fraction is considerably important and play an important role in characterization of the hydrodynamic behavior of such gas-liquid two phase systems. The void fraction is a dimensionless quantity and is often termed as {\textquoteleft}{\textquoteleft}holdup or fraction{\textquoteright}{\textquoteright} in two-phase flows. According to industrial applications; it is essential to develop measurement technique for void fraction measurement which can work in hot and opaque systems. Therefore, an attempt was made here to establish electrical capacitance tomography (ECT) facility for measuring void fraction and flow regimes as well as develop suitable data processing methodologies. In the present work, focus was to measure void fraction using ECT technique and compares it with conventional and high speed photography technique. Therefore, that will give guidelines of using ECT technique for hot and opaque systems like boiling flows. (C) 2014 The Institution of Chemical Engineers. Published by Elsevier BM. All rights reserved.

}, keywords = {ECT, Flow regimes, Two phase flow, Void fraction}, issn = {0263-8762}, doi = {10.1016/j.cherd.2014.11.013}, author = {Sardeshpande, Madhavi V. and Harinarayan, Sagar and Ranade, Vivek V.} } @article {42917, title = {Water-dispersible ascorbic-acid-coated magnetite nanoparticles for contrast enhancement in MRI}, journal = {Applied Nanoscience}, volume = {5}, year = {2015}, month = {JAN}, pages = {435-441}, doi = {10.1007/s13204-014-0335-0}, author = {Sreeja, V. and Jayaprabha, Kunnoth N. and Joy, Pattayil Alias} } @article { ISI:000365445500001, title = {Water-promoted diels-alder reaction in quaternary ammonium salts}, journal = {Journal of Physical Organic Chemistry}, volume = {28}, number = {11}, year = {2015}, month = {NOV}, pages = {665-673}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

{Prevailing classification of salts based on their effect in solubility and stability of proteins in aqueous solution predicts that tetraalkylammonium salts, guanidinium chloride (GnCl), LiClO4 act as salting-in (S/I) and LiCl, NaCl act as salting-out (S/O) in aqueous conditions. In the same context the behaviour of GnCl, LiClO4 and LiCl are contradictory in polar solvents like ethylene glycol and formamide. In these solvents, expected salt effect shows just opposite nature from their usual expectation. However, in the aqueous solution salts like tetraalkylammonium halide (R4NX

}, keywords = {Delta G(solvation), Diels-Alder reaction, k(s), kinetic study, solubility, tetraalkylammonium salts, viscosity}, issn = {0894-3230}, doi = {10.1002/poc.3469}, author = {Nagare, Amit S. and Manna, Arpan and Sonawane, Pramod D. and Kumar, Anil} } @article {42699, title = {Well-defined palladium(II) complexes for ligand enabled C(sp3)-alkynylation}, journal = {Dalton Transactions}, volume = {44}, year = {2015}, month = {JUL}, pages = {15382-15386}, abstract = {

The first example of ligand-enabled C(sp3)-alkynylation of 8-methylquinoline is reported. The reaction is catalysed by well-defined Pd(II) complexes. The present C(sp3)-alkynylation has a broad substrate scope as well as functional group tolerance and proceeds efficiently under mild conditions.

}, doi = {10.1039/C5DT02772A}, author = {Landge, Vinod Gokulkrishna and Sahoo, Manoj Kumar and Midya, Siba Prasad and Jaiswal, Garima and Balaraman, Ekambaram} } @article { ISI:000359166300077, title = {Zinc inhibits glycation induced structural, functional modifications in albumin and protects erythrocytes from glycated albumin toxicity}, journal = {International Journal of Biological Macromolecules}, volume = {79}, year = {2015}, month = {AUG}, pages = {601-610}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

The present work aims to investigate the concentration and time dependant effect of zinc on the in vitro non enzymatic modifications of albumin by diabetic levels of glucose. Further, preventive and curative effect of zinc was studied by adding zinc before and after initiation of glycation respectively. Glycation of albumin was done at different concentrations of zinc (125, 250 and 500 mu M) at different time intervals (21,28 and 35 days) with appropriate controls. The antiglycation potential of zinc was assessed by estimating different markers of albumin glycation (fructosamines, carbonyls, bound sugar, AGEs), structural modifications (free amino, thiol group, beta amyloid, native PAGE, ANS binding, fluorescence lifetime decay and CD analysis) and functional properties (antioxidant activity, hemolysis). Zinc at highest concentration (500 mu M) significantly reduced modifications of albumin which was comparable to aminoguanidine and also protected secondary and tertiary structure of albumin after 28 days of incubation. Zinc exhibited significant protective effect on erythrocytes by inhibiting hemolysis. Thus the present study indicate preventive mode of albumin glycation inhibition by zinc. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Albumin, Erythrocytes, Glycation}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2015.05.028}, author = {Tupe, Rashmi and Kulkarni, Amruta and Adeshara, Krishna and Sankhe, Neena and Shaikh, Shamim and Dalai, Sayli and Bhosale, Siddharth H. and Gaikwad, Sushama M.} } @article {43598, title = {10000-Fold enhancement in proton conduction by doping of cesium ions in a proton-conducting zwitterionic metal-organic framework}, journal = {European Journal of Inorganic Chemistry}, year = {2016}, month = {SEP}, pages = {4382-4386}, abstract = {Developing metal-organic framework (MOF)-based proton-conducting electrolytes for fuel-cell applications is an important target that has drawn a lot of attention. A key approach involves the selective replacement of the guest species within the pores to enhance performance. The modular and crystalline nature of the MOF permits controlled introduction of such species and characterization of their compositions with high precision, a task which is very difficult to achieve in amorphous polymers. Herein, we partially replaced the protons of a zwitterionic pyridinol in Mg(terephthalate)(pyridinol) MOF 1 with Cs+ ions, which brought about a 10000-fold increase in the proton conductivity (10(-6) to 10(-2) S cm(-1)). Interestingly, Li+ ions could not be loaded, whereas Cs+ ions with smaller hydrated ionic radii could be loaded, and the loading was controlled as a function of time. The Cs+ loading nearly halved the activation energy (from 0.35 for 1 to 0.19 eV for _Cs). The highest conductivities were realized for an optimal loading of Cs+ ions, which was found to be about 10 \% in this case.}, doi = {10.1002/ejic.201600364}, author = {Shalini, Sorout and Aggarwal, Shubhangi and Singh, Santosh K. and Dutt, Malvika and Ajithkumar, Thallaseril G. and Vaidhyanathan, Ramanathan} } @article { ISI:000382246400001, title = {1000-fold enhancement in proton conductivity of a MOF using post-synthetically anchored proton transporters}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {AUG}, pages = {32489}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Pyridinol, a coordinating zwitter-ionic species serves as stoichiometrically loadable and non-leachable proton carrier. The partial replacement of the pyridinol by stronger hydrogen bonding, coordinating guest, ethylene glycol (EG), offers 1000-fold enhancement in conductivity (10(-6) to 10(-3) Scm(-1)) with record low activation energy (0.11 eV). Atomic modeling coupled with C-13-SSNMR provides insights into the potential proton conduction pathway functionalized with post-synthetically anchored dynamic proton transporting EG moieties.

}, issn = {2045-2322}, doi = {10.1038/srep32489}, author = {Shalini, Sorout and Dhavale, Vishal M. and Eldho, Kavalakal Mathai and Kurungot, Sreekumar and Ajithkumar, Thalasseril G. and Vaidhyanathan, Ramanathan} } @article {45650, title = {1D alignment of PEDOT in a buckypaper for high-performance solid supercapacitors}, journal = {Chemelectrochem}, volume = {3}, year = {2016}, month = {SEP}, pages = {1329-1336}, type = {Article}, abstract = {

A flexible solid-state supercapacitor is prepared from carbon nanotube (CNT)-based buckypaper after forming a thin layer of polyethylenedioxythiophene (PEDOT) on the surface of the CNTs in the paper. A highly conducting PEDOT phase is obtained by interfacial polymerization, in which polymerization is confined at the interface of two immiscible liquids. The hydrophilic interaction between the functionalized CNTs and the oxidizing agent (iron perchlorate, Fe(ClO4)(3)), which is located in the aqueous phase, and the restricted interaction of the oxidizing agent with the EDOT monomer in the organic layer at the immiscible interface play a vital role in establishing a uniform and aggregate-free growth pattern of PEDOT on CNT. By carefully optimizing the amount of polymer in the paper, an electrode with a sheet resistance of 3.4(-1) and equivalent series resistance of 0.95 can be prepared. A thin and flexible solid-state supercapacitor device with an overall thickness of 210m is made by using this paper as the electrodes and poly(vinyl alcohol)/lithium chloride as the gel electrolyte. The power density and energy density of the electrode are 9.94Wcm(-3) and 8.85mWhcm(-3), respectively. The device also delivers a high volumetric capacitance of 18Fcm(-3) and areal capacitance of 354mFcm(-2). The demonstrated strategy is scalable and hence the process can be conveniently applied to prepare large-area PEDOT-modified buckypapers in a short time.

}, keywords = {Carbon, Energy storage, nanotubes, polymerization, Supercapacitors}, issn = {2196-0216}, doi = {10.1002/celc.201600229}, author = {Soni, Roby and Anothumakkool, Bihag and Kurungot, Sreekumar} } @article {43630, title = {3-Aminothiophenecarboxylic acid (3-Atc)-induced folding in peptides}, journal = {New Journal of Chemistry}, volume = {40}, year = {2016}, month = {SEP}, pages = {9205-9210}, abstract = {This paper describes the consequences of incorporating a constrained heterocyclic aromatic b-amino acid 3-aminothiophenecarboxylic acid (3-Atc) into peptides containing beta-turn forming elements such as Pro-Gly motif and the effect on the secondary structural architecture of the entire peptide backbone. Conformational investigations of oligomers comprising an alpha,beta,alpha peptide sequence were carried out by single-crystal X-ray diffraction, solution-state NMR, nOe-restrained MD simulation and circular dichroism studies. The results suggested that these peptide sequences assume helical architecture. The helical folding in the oligomers was found to be devoid of inter-residual H-bonding, instead found to be stabilized by a co-operative effect of 6-membered H-bonding within the 3-Atc unit and conformational restrictions of individual amino acids in the peptide backbone.}, doi = {10.1039/c6nj01667g}, author = {Ingole, Tukaram S. and Kotmale, Amol S. and Gawade, Rupesh L. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article {42976, title = {3D Polyaniline architecture by concurrent inorganic and organic acid doping for superior and robust high rate supercapacitor performance}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {FEB}, pages = {Article No. 21002}, doi = {10.1038/srep21002}, author = {Gawli, Yogesh and Banerjee, Abhik and Dhakras, Dipti and Deo, Meenal S. and Bulani, Dinesh and Wadgaonkar, Prakash P. and Shelke, Manjusha and Ogale, Satishchandra} } @article { ISI:000373747700077, title = {Additive mediated syn-anti conformational tuning at nucleation to capture elusive polymorphs: remarkable role of extended pi-stacking interactions in driving the self-assembly}, journal = {Crystal Growth \& Design}, volume = {16}, number = {4}, year = {2016}, month = {APR}, pages = {2416-2428}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Understanding the process of prenucleation clustering at supersaturating stage is of significant importance to envisage the polymorphism in crystalline materials. Preferential formation of a thermodynamically stable crystal form suggests energetically favored patterns of interactions which control molecular aggregation during nucleation. Introduction of additives during crystallization is sometimes used as a suitable strategy to obtain metastable polymorphs in cases where it is not easy to capture the same by conventional crystallization methods. Comparative analysis of energy relationships and intermolecular interactions between thermodynamically stable and metastable crystal forms provides valuable clues about the nature of growth synthons at prenucleation clustering and preferential crystallization of the thermodynamic form. Conformationally flexible sulfonamide/sulfoester derivatives constituting electron rich and electron deficient aromatic rings were synthesized to study the interplay between pi-stacking and hydrogen bonding synthons. We have identified and characterized the thermodynamically stable and metastable elusive polymorphs of aromatic sulfonamides 1 and 2 and sulfoesters 3 and 4. However, these compounds eluded polymorphism during crystallisation from various common solvents/conditions and only produced thermodynamically stable crystals forms (form I crystals). Surprisingly, exploitation of pyrazinamide as an additive in different stoichiometric ratios during crystallization gave elusive polymorphs [three for 1 (form 1II, form 1III, and form 1IV) and one each for 2 (form 2II), 3 (form 3II), and 4 (form 4II)]. Molecules in stable crystal forms of these compounds are linked via extended chains of parallel displaced pi...pi stacking interactions that seem to play a vital role in driving the self-assembly of molecules and subsequently governing the nucleation process. In contrast, molecules in metastable polymorphs are devoid of such extended pi-stacking assemblies. Interestingly, differential scanning calorimetry, hot stage microscopy, and X-ray crystallographic studies confirmed the thermal crystal-to-crystal transition of all three metastable polymorphs of 1 (form 1II, form 1III, and form 1IV) to its thermodynamically stable crystal form (form 1I). Conformational analysis of molecule 1 using density functional theory calculations also validated higher stability for syn conformation (observed in Form 1I crystals) over anti and midway conformations (seen in metastable polymorphs). Melt crystallization of form 1I crystals of 1 on the larger face (001) of delta-pyrazinamide and lattice matching analysis (GRACE) revealed that the layered arrangement of molecules of delta-pyrazinamide (on 001 face) during heterogeneous nucleation acts as a template (heteroepitaxy) to provide a preferential site for the nucleation of new metastable polymorphs by selectively inhibiting the most preferred crystal form from growing into the nucleus. Solution state one- and two-dimensional (NOESY) H-1 NMR, scanning electron microscopy, and a Cambridge Structural Database survey were conducted to substantiate the role of additives during crystallization.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.6b00204}, author = {Gawade, Rupesh L. and Chakravarty, Debamitra K. and Kotmale, Amol and Sangtani, Ekta and Joshi, Pranaya V. and Ahmed, Awais and Mane, Manoj V. and Das, Susanta and Vanka, Kumar and Rajamohanan, Pattuparambil R. and Puranik, Vedavati G. and Gonnade, Rajesh G.} } @article {43639, title = {Adsorptive removal of diuron on biomass ashes: a comparative study using rice husk ash and bagasse fly ash as adsorbents}, journal = {Desalination and Water Treatment}, volume = {57}, year = {2016}, month = {JAN}, pages = {22378-22391}, abstract = {This study describes the use of two types of biomass ashes (BMAs) as adsorbents for diuron removal. Two BMAs, namely rice husk ash (RHA) and bagasse fly ash (BFA), were used in this study, and their adsorption behavior and adsorption mechanism were compared based on various characteristics, such as surface area, pore diameter, and volume. It was found that the particle size and the composition of these BMAs, especially the content of carbon and silica, primarily affect the adsorption kinetics and capacity. Compared with RHA, BFA has more carbon content (47.37\%), and therefore shows higher adsorption capacity (43.48mol/g). In addition, BFA has larger external surface area and exhibited faster kinetics at the initial adsorption stage; by contrast, RHA due to its larger pore diameter allows for faster pore adsorption and surpasses the initial kinetic rate of BFA. For the same particle size (0.354-0.251mm), the equilibrium capacity of BFA was found to be four times greater than that of RHA; in addition, the surface area of BFA is two times more than that of RHA, suggesting that BFA has more active sites than RHA. It was found that solution pH influences adsorption mechanism of diuron molecule on BMA. The uptake capacity of BFA and RHA is 10 times greater than natural adsorbents such as soil and is comparable with synthetic adsorbents such as activated carbon and multiwalled carbon nanotubes. To our knowledge, removal of diuron using ashes has not been reported previously.}, doi = {10.1080/19443994.2015.1132394}, author = {Deokar, Sunil K. and Singh, Diksha and Modak, Sweta and Mandavgane, Sachin A. and Kulkarni, Bhaskar D.} } @article { ISI:000370307800008, title = {Alternate synthesis of appetite suppressant (R)-2-benzylmorpholine employing Sharpless asymmetric epoxidation strategy}, journal = {Tetrahedron Letters}, volume = {57}, number = {8}, year = {2016}, month = {FEB}, pages = {861-863}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An alternate synthesis of (R)-2-benzylmorpholine 1, an appetite suppressant agent has been accomplished starting from readily available trans-cinnamyl alcohol employing Sharpless asymmetric epoxidation strategy as a key step, with an overall yield of 24\%. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {(R)-2-Benzylmorpholine, Appetite suppressant, Sharpless asymmetric epoxidation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2016.01.032}, author = {Viswanadh, N. and Mujumdar, P. and Sasikumar, M. and Kunte, S. S. and Muthukrishnan, Murugan} } @article { ISI:000372759100036, title = {Amelioration of excision wounds by topical application of green synthesized, formulated silver and gold nanoparticles in albino Wistar rats}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {62}, year = {2016}, month = {MAY}, pages = {293-300}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Wound healing, a complex biological process, has attained a lot of attention as dermatologists are primarily interested in stimulated wound closure without formation of scar or a faint scar. The recent upsurgence of nanotechnology has provided novel therapeutic materials in the form of silver and gold nanoparticles which accelerate the wound healing process. The effect of formulated nanoparticles using Coleus forskohlii root extract (green synthesized) has been tried out for ameliorating full thickness excision wounds in albino Wistar male rats. The evaluation of in vivo activity of nanoparticles in wound healing was carried out on open wounds made by excision on the dorsal sides of albino Wistar rats under anesthesia, and the healing of the wounds was assessed. Histological aspects of the healing process were studied by a HE (Hematoxylin and Eosin) staining method to assess various degrees of re-epithelialization and the linear alignment of the granulation tissue whereas Van Gieson{\textquoteright}s histochemical staining was performed to observe collagen fibers. The healing action shown by the formulated nanoparticles was remarkable during the early stages of wound healing, which resulted in the substantial reduction of the whole healing period. Topical application of formulated gold nanoparticles was found to be more effective in suppressing inflammation and stimulating re-epithelialization compared to silver nanoparticles during the healing process. The results throw light on the amelioration of excision wounds using nanoparticles which could be a novel therapeutic way of improving wound healing in clinical practice. The mechanism of advanced healing action of both types of nanoparticles could be due to their antimicrobial, antioxidant and anti-inflammatory properties. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {collagen, Gold, green synthesis, Nanopraticles, wound Healing}, issn = {0928-4931}, doi = {10.1016/j.msec.2016.01.069}, author = {Naraginti, Saraschandra and Kumari, P. Lakshmi and Das, Raunak Kumar and Sivakumar, A. and Patil, Sagar Hindurao and Andhalkar, Vaibhav Vilas} } @article { ISI:000369587800022, title = {Ammonium catalyzed cyclitive additions: evidence for a cation-pi interaction with alkynes}, journal = {Chemical Communications}, volume = {52}, number = {11}, year = {2016}, month = {DEC}, pages = {2311-2313}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The addition of carbamate nitrogen to a non-conjugated carbon-carbon triple bond is catalyzed by an ammonium salt leading to a cyclic product. Studies in homogeneous systems suggest that the ammonium agent facilitates nitrogen-carbon bond formation through a cation-p interaction with the alkyne unit that, for the first time, is directly observed by Raman spectroscopy.

}, issn = {1359-7345}, doi = {10.1039/c5cc08641h}, author = {Nagy, Edith and St Germain, Elijah and Cosme, Patrick and Maity, Pradip K. and Terentis, Andrew C. and Lepore, Salvatore D.} } @article { ISI:000369572000024, title = {Angiotensin II analogs comprised of pro-amb (gamma-turn scaffold) as angiotensin II type 2 (AT(2)) receptor agonists}, journal = {Chemical Communications}, volume = {52}, number = {8}, year = {2016}, month = {NOV}, pages = {1645-1648}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We describe herein the design, synthesis and conformational investigation of Pro-Amb (proline-3-amino-2-methoxybenzoic acid) incorporated Angiotensin II and its truncated analogues. Solution-state NMR and CD studies suggest gamma-turn-like conformation in Pro-Amb analogs in aqueous solution. Furthermore, Pro-Amb analogs have been shown to act as AT(2) receptor agonists.

}, issn = {1359-7345}, doi = {10.1039/c5cc09687a}, author = {Jedhe, Ganesh S. and Kotmale, Amol S. and Rajamohanan, Pattuparambil R. and Pasha, Santosh and Sanjayan, Gangadhar J.} } @article { ISI:000378790600010, title = {Anti-oxidant properties of ficus religiosa L. Bark extract on human keratinocytes}, journal = {Science of Advanced Materials}, volume = {8}, number = {6}, year = {2016}, month = {JUN}, pages = {1221-1226}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Ficus religiosa (Sacred Fig) is a medicinally important tree, native to the Indian subcontinent. It has been extensively pharmacologically researched species having wide spectrum of medicinal properties. All parts of F. religiosa tree are known to possess important medicinal properties such as anti-oxidant, anti-inflammatory, wound healing and skin diseases etc. However, effects of F. religiosa on skin cells line HaCaT was not studied for its antioxidant properties. In this report we have investigated F. religiosa bark aqueous extract for its antioxidant properties on human keratinocytes (HaCaT) cell line using DPPH, superoxide dismutase 1, superoxide dismutase 2 and catalase assay. We observed that F. religiosa bark aqueous extract efficiently scavenged (80\%) DPPH radicals. Superoxide dismutase1 assay of F. religiosa bark aqueous extract effectively scavenged superoxide radicals (O-2(-)) and showed dose dependent activity. Reactive oxygen species were trapped by superoxide dismutase 2 assay of F. religiosa bark aqueous extract and form hydrogen peroxide. Catalase assay results revelled that hydrogen peroxide was further decomposed to give water and oxygen. Thus various anti-oxidant assays of F. religiosa bark aqueous extract indicate that it efficiently reduced the reactive oxygen species in skin cells.

}, keywords = {Anti-Oxidant, Catalase Assay, DPPH Assay, Ficus religiosa, Keratinocyte HaCaT Cell Line, Moraceae, SOD Assay}, issn = {1947-2935}, doi = {10.1166/sam.2016.2740}, author = {Dixit, Shailesh S. and Kulkarni, Atul and Seo, Hyo Hyun and Gadgil, Jayant and Dingre, Medini and Umar, Ahmad and Moh, Sang Hyun and Parasharami, Varsha A.} } @article { ISI:000373421700065, title = {Architecture of 2D MoS2 nanosheets and 3D CdMoS4 marigold flowers: consequence of annealing on field emission performance}, journal = {Microporous and Mesoporous Materials}, volume = {225}, year = {2016}, month = {MAY}, pages = {573-579}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Herein, we report the field electron emission investigations on template free solvothermally synthesized layered MoS2 nanosheets as well as novel phase of CdMoS4 nanoflowers at the base pressure of similar to 1 x 10(-8) mbar. The turn-on field, threshold field and maximum emission current densities for both MoS2 and CdMoS4 are strongly influenced by thermal annealing in inert atmosphere. The turn on field, required to draw emission current density of 1 mu A/cm(2) is found to be 5.8 and 3.2 V/mu m for pristine and annealed MoS2 at 400 degrees C. In case of as prepared and annealed CdMoS4 sample the turn on field values are found to be similar to 6.2 and 5.0 V/mu m, respectively. The emission current versus time (I-t) plot measured at the preset current values of similar to 1 mu A for pristine and annealed sample indicates stable operation of the emitter. The emission current fluctuations for annealed sample are observed to be less as compared with the pristine sample due to conditioning of the emitter, thereby showing highly stable nature of emitter. Thus, the present result demonstrates the potential of annealed MoS2 nanosheets and CdMoS4 nanoflowers as an emerging materials for micro/nanoelectronics and flat panel field emission display applications. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {field emission, MoS2 and CdMoS4, Nanoflowers, nanosheets}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2016.01.033}, author = {Kadam, Sunil R. and Suryawanshi, Sachin R. and Panmand, Rajendra P. and Mate, Vivek R. and More, Mahendra A. and Late, Dattatray J. and Kale, Bharat B.} } @article {43611, title = {Asymmetric transfer hydrogenation of cyclic imines in water with a versatile hydrogen donorformic acid/N-methylpiperidine: rapid access to highly enantioselective amines}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {JUL}, pages = {2221-2224}, abstract = {Asymmetric transfer hydrogenation (ATH) of cyclic imines in water has been investigated for the first time by using HCOOH in combination with bases other than triethylamine as H donor. Effect of FA/Base ratio has shown significant impact on activity and enantioselectivity for ATH reaction in water. Use of methanol as a co-solvent improved the reduction performance. FA/N-methylpiperidine was found to be excellent, versatile hydrogen donor for ATH of imine 6,7-dimethoxy-1-methyl-3,4-dihy-droisoquinoline (1a) giving by far the highest noted TOF value of 5940 h(-1). ATH of-different imines derivatives including 3, 4-dihydoisoquinolines, beta-carbolines and cyclic sulfonyl imines have been performed with excellent activity (91-99\% yield) and enantioselectivity (88-97\%) in very short time (1-2 min). This is very simple protocol for rapid access to enantioselective amines with very new and versatile hydrogen donor 1.1 FA/Nmethylpiperidine.}, doi = {10.1002/slct.201600497}, author = {Shende, Vaishali S. and Shingote, Savita K. and Deshpande, Sudhindra H. and Kelkar, Ashutosh. A.} } @article {42844, title = {Au(I)/Ag(I) co-operative catalysis: interception of Ag-bound carbocations with α-gold(I) enals in the imino-alkyne cyclizations with N-allenamides}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {NOV}, pages = {14462-14465}, doi = {10.1039/C6CC08385D}, author = {Bagle, Pradip N. and Mane, Manoj V. and Vanka, Kumar and Shinde, Dinesh R. and Shaikh, Samir R. and Gonnade, Rajesh G. and Patil, Nitin T.} } @inbook {45837, title = {Balancing omega-6: Omega-3 ratios in oilseeds}, booktitle = {Omega-3 fatty acids: keys to nutritional health}, year = {2016}, pages = {203-220}, publisher = {Springer International Publishing}, organization = {Springer International Publishing}, abstract = {Fats and oils are the essential constituents of human diet, and nearly 80 \% of these are obtained from plants. The predominant fatty acids present in plant oils are saturated and unsaturated compounds with straight aliphatic chains of carbon atoms and a single carboxyl group. Depending on the position of the first double bond from the methyl end in the fatty acyl chain, the mono- and polyunsaturated fatty acids can be denoted as -9, -6, or -3. Excess consumption of -6 fatty acids has greatly and unfavorably increased the -6: -3 ratio up to 25:1, which is associated with prevalence of many negative health effects, including cardiovascular diseases, cancer, osteoporosis, and inflammatory and autoimmune diseases. Because the -3 fatty acids (FAs) are the precursors for synthesis of anti-inflammatory eicosanoids, balancing the -6: -3 ratio is vital. The easiest approach to achieve this would be consumption of oils rich in -3 FAs, such as linseed oil. Alternatively, the fatty acid biosynthetic pathway in plants producing high -6 FAs can be altered by biotechnological means, so that they produce higher proportion of -3 FAs. This chapter describes the current knowledge of the fatty acid biosynthesis pathway in plants, including the genes involved, their temporal and spatial expression patterns, and various fluxes that they drive. The choice of oilseeds, genes, and promoters for modulating the fatty acid biosynthesis flux from -6 to -3 fatty acids is also dealt with. The potential hurdles in achieving these and possible solutions have also been described.}, doi = {10.1007/978-3-319-40458-5_15}, author = {Chirmade, T. P. and Sanghi, S. and Rajwade, A .V. and Gupta, V. S. and Kadoo, N. Y.} } @article { ISI:000379306400014, title = {Band edge modulated polymer layer to decrease back electron transfer and increase efficiency in sensitized solar cells}, journal = {Advanced Energy Materials}, volume = {6}, number = {9}, year = {2016}, month = {MAY}, pages = {1502334}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Recombination of charges residing in the TiO2 and redox electrolyte is one of the factors affecting the efficiency of dye sensitized solar cells (DSSCs). To circumvent this recombination, inorganic oxide barrier layers and organic silanes have been coated on TiO2/dyes. Due to the insulating nature of these layers, the efficiency increase is not very impressive. Conducting polymers with different band edges are used to suppress the charge recombination. Amongst the four polymers that are used as barrier layers, a polymer with a highest occupied molecular orbital energy at -5.8 eV and lowest unoccupied molecular orbital at -3.1 eV is found to increase the electron life time at TiO2 and decrease the charge recombination. The electron life time is found to be 88 ms. In addition to the long electron life time, the recombination resistance of this polymer is also high (91 Omega). This resistance is 18\% higher than that measured for DSSCs without polymer barrier layer. These factors impact the efficiency of DSSCs. DSSCs fabricated with this polymer as barrier layer exhibit an efficiency of 9.2\%, which is 22\% higher than that of DSSCs without polymer barrier layer.

}, issn = {1614-6832}, doi = {10.1002/aenm.201502334}, author = {Arulkashmir, Arulraj and Sudhakar, Vediappan and Krishnamoorthy, Kothandam} } @article {43051, title = {Benz{\textendash}amidinato stabilized a monomeric calcium Iodide and a lithium calciate(II) cluster featuring group 1 and group 2 elements}, journal = {ChemistrySelect}, volume = {1}, year = {2016}, month = {APR}, pages = {1066{\textendash}1071}, abstract = {

Soluble calcium halides reported so far are mostly dimeric in nature. The halides occupy the bridging position and thus provide additional coordination to the metal. We obtained a monomeric calcium iodide [{PhC(NiPr)(2)} CaI(thf)(3)] (1) from the reaction of [PhC(NiPr)(2)] Li with Cal(2) in THF. The compound has been stabilized by electronic donation and steric shielding from the amidinate ligand as well as coordination of three THF molecules. 1 does not show any propensity towards ligand exchange reaction. When the same reaction is carried out in diethyl ether instead of THF, it led to the formation of a Li calciate(II) cluster of composition L2Ca4I8Li4O (L= PhC(NiPr)(2)) (2) with an encapsulated O2+ in the middle of a tetrahedron spanned by four Ca2+ ions. 2 represents a metal-rich halide comprising of both alkali and alkaline earth metals which is quite unprecedented. Another notable aspect is that the amidinate ligand binds to the calcium atom in chelating bidentate mode in 1, whereas in 2 each N atom of the amidinate ligands binds to two Ca atoms leading to bridging bis-chelating coordination mode.

}, doi = {10.1002/slct.201600285}, author = {Yadav, Sandeep and Swamy, V. S. V. S. N. and Gonnade, Rajesh G. and Sen, Sakya S.} } @article { ISI:000363815800016, title = {Bicinchoninic acid-based colorimetric chemosensor for detection of low concentrations of cyanide}, journal = {Sensors and Actuators B-Chemical}, volume = {222}, year = {2016}, month = {JAN}, pages = {112-119}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Bicinchoninic acid (BCA) is reagent that is widely used to determine the concentration of proteins in solutions through the colored complex it forms with Cu(I) and the proteins. In this report, we present a new use for BCA, where a highly sensitive method for detection of cyanide ions in solutions by using Cu2+-BCA complex as the chemosensing agent is demonstrated. The detection of cyanide ions is achieved by taking advantage of the nucleophilic attack of the Cu2+-BCA complex by cyanide ions. Upon the addition of cyanide ions, the Cu2+-BCA complex undergoes transformations to free BCA via a series of equilibriums and, as a result, forms different Cu(II)-(BCA)(x)(CN)(y) species depending on the concentrations of cyanide ions in the solution. These different Cu(II)-(BCA)(x)(CN)(y) species, in turn, give different metal-to-ligand charge transfer electronic spectra and colors that are easily detectable both with naked eyes and UV-vis spectroscopy. As the cyanide ion concentration increases, the color of the solution containing the complexes changes from green to purple, red, yellow, and finally colorless, giving a corresponding blue shift in the absorption maxima on their UV-vis spectra. Through this process, the complexes enable detection of cyanide ions with a detection level of up to 0.06 ppm in solutions. Thus, this colorimetric technique based on Cu2+-BCA can make low concentrations of cyanide detectable, well before the concentrations possibly reach lethal amounts. Furthermore, the method is shown to give fast detection response with no interference from other anionic and cationic species and has the potential to be adopted for accurate and convenient analysis of cyanide ions in drinking water sources as well as industrial effluents. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {BCA, Bicinchoninic acid, Chemosensor, Colorimetric sensor, Copper, Cyanide}, issn = {0925-4005}, doi = {10.1016/j.snb.2015.08.043}, author = {Biradar, Archana A. and Biradar, Ankush V. and Sun, Tiffany and Chan, Yung and Huang, Xiaoxi and Asefa, Tewodros} } @article {43044, title = {Big Data Deluge in Biology: Challenges and Solutions}, journal = {Journal of Informatics and Data Mining}, volume = {1}, year = {2016}, month = {JUN}, pages = {1-3}, doi = {10.4172/2472-1956.100014}, author = {Sarkar, Ram Rup} } @article {43614, title = {Bilayer cryogel wound dressing and skin regeneration grafts for the treatment of acute skinwounds}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {JUN}, pages = {15145-15159}, abstract = {In this study, the potential of cryogel bilayer wound dressing and skin regenerating graft for the treatment of surgically created full thickness wounds was evaluated. The top layer was composed of polyvinylpyrrolidone-iodine (PVP-I) and served as the antiseptic layer, while the bottom regenerative layer was made using gelatin cryogel. Both components of the bilayer showed typical features of a cryogel interconnected macropore network, rapid swelling, high water uptake capacity of about 90\%. Both PVP and gelatin cryogel showed high tensile strength of 45 and 10 kPa, respectively. Gelatin cryogel sheets were essentially elastic and could be stretched without any visible deformation. The antiseptic PVP-I layer cryogel sheet showed sustained iodine release and suppressed microbial growth when tested with skin pathogens (zone of inhibition cm for sheet of 0.9 cm diameter). The gelatin cryogel sheet degraded in vitro in weeks. The gelatin cryogel sheet supported cell infiltration, attachment, and proliferation of fibroblasts and keratinocytes. Microparticles loaded with bioactive molecules (mannose-6-phosphate and human fibrinogen) were also incorporated in the gelatin cryogel sheets for their role in enhancing skin regeneration and scar free wound healing. In vivo evaluation of healing capacity of the bilayer cryogel was checked in rabbits by creating full thickness wound, defect (diameter 2 cm). Macroscopic and microscopic observation at regular time intervals for 4 weeks demonstrated better and faster skin regeneration in the wound treated with cryogel bilayer as compared to untreated defect and the repair was comparable to commercial skin regeneration scaffold Neuskin-F. Complete skin regeneration was observed after 4 weeks{\textquoteright} of implantation with no sign of inflammatory response. Defects implanted with cryogel having mannose-6-phosphate showed no scar formation,, while the wound treated with bilayer incorporated with human fibrinogen microparticles showed early signs of skin regeneration; epidermis formation occurred at 2 weeks after implantation.}, doi = {10.1021/acsami.6b04711}, author = {Priya, S. Geetha and Gupta, Ankur and Jain, Era and Sarkar, Joyita and Damania, Apeksha and Jagdale, Pankaj R. and Chaudhari, Bhushan P. and Gupta, Kailash C. and Kumar, Ashok} } @article { ISI:000380072400017, title = {Biogenic terbium oxide nanoparticles as the vanguard against osteosarcoma}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {168}, year = {2016}, month = {NOV}, pages = {123-131}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of inner transition metal nanoparticles via an ecofriendly route is quite difficult. This study, for the first time, reports synthesis of terbium oxide nanoparticles using fungus, Fusarium oxysporum. The biocompatible terbium oxide nanoparticles (Tb2O3 NPs) were synthesized by incubating Tb4O7 with the biomass of fungus F. oxysporum. Multiple physical characterization techniques, such as UV-visible and photoluminescence spectroscopy, TEM, SAED, and zeta-potential were used to confirm the synthesis, purity, optical and surface characteristics, crystallinity, size, shape, distribution, and stability of the nanoemulsion of Tb2O3 NPs. The Tb2O3 NPs were found to inhibit the propagation of MG-63 and Saos-2 cell-lines (IC50 value of 0.102 mu g/mL) and remained non-toxic up to a concentration of 0373 gg/mL toward primary osteoblasts. Cell viability decreased in a concentration-dependent manner upon exposure to 10 nmTb(2)O(3) NPs in the concentration range 0.023-0373 mu g/mL Cell toxicity was evaluated by observing changes in cell morphology, cell viability, oxidative stress parameters, and FACS analysis. Morphological examinations of cells revealed cell shrinkage, nuclear condensation, and formation of apoptotic bodies. The level of ROS within the cells an indicator of oxidative stress was significantly increased. The induction of apoptosis at concentrations \<= IC50 was corroborated by 4{\textquoteright},6-diamidino-2-phenylindole dihydrochloride (DAPI) staining (DNA damage and nuclear fragmentation). Flow-cytometric studies indicated that the response was dose dependent with a threshold effect. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Biosynthesis, Cytotoxicity, fusarium oxysporum, Osteosarcoma, Tb2O3 nanoparticles}, issn = {1386-1425}, doi = {10.1016/j.saa.2016.05.053}, author = {Iram, Sana and Khan, Salman and Ansary, Abu Ayoobul and Arshad, Mohd and Siddiqui, Sahabjada and Ahmad, Ejaz and Khan, Rizwan H. and Khan, Mohd Sajid} } @article { ISI:000371117900016, title = {Bioresponsive carbon nano-gated multifunctional mesoporous silica for cancer theranostics}, journal = {Nanoscale}, volume = {8}, number = {8}, year = {2016}, month = {DEC}, pages = {4537-4546}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Designing bioresponsive nanocarriers for controlled and efficient intracellular drug release for cancer therapy is a major thrust area in nanomedicine. With recent recognition by the US FDA as a safe material for human trials, mesoporous silica nanoparticles (MSNPs) are being extensively explored as promising theranostic agents. Green fluorescent carbon quantum dots (CQDs), though known as possible alternatives for their more toxic and relatively less efficient predecessors, are less known as gate keepers for drug release control. We report for the first time an efficient bioresponse of CQDs when judiciously designed using glutathione cleavable (redox responsive) disulphide bonds. When the anticancer drug doxorubicin loaded MSNPs are capped with these CQDs, they display promising drug release control on exposure to a mimicked intracellular cancer environment. Their dual functionality is well established with good control on preventing the premature release and exceptional bio-imaging of HeLa cancer cells. Fluorescence images prove selective targeting of HeLa cells by overexpression of folate receptors from the surface functionalised folic acid ligand. Extensive characterisation using XRD, TEM, BET analysis, drug loading tests, drug release kinetics, MTT assay and fluoroscence cell imaging helps in understanding the multi-functionalities of the successful design, extending its scope with exciting prospects towards non-invasive targeted drug delivery and bio-imaging for effective cancer diagnosis and treatment.

}, issn = {2040-3364}, doi = {10.1039/c5nr06756a}, author = {Prasad, Rajendra and Aiyer, Sandhya and Chauhan, Deepak S. and Srivastava, Rohit and Selvaraj, Kaliaperumal} } @article { ISI:000369937200001, title = {Biosurfactant as a promoter of methane hydrate formation: thermodynamic and kinetic studies}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {FEB}, pages = {20893}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Natural gas hydrates (NGHs) are solid non-stoichiometric compounds often regarded as a next generation energy source. Successful commercialization of NGH is curtailed by lack of efficient and safe technology for generation, dissociation, storage and transportation. The present work studied the influence of environment compatible biosurfactant on gas hydrate formation. Biosurfactant was produced by Pseudomonas aeruginosa strain A11 and was characterized as rhamnolipids. Purified rhamnolipids reduced the surface tension of water from 72 mN/m to 36 mN/m with Critical Micelle Concentration (CMC) of 70 mg/l. Use of 1000 ppm rhamnolipids solution in C type silica gel bed system increased methane hydrate formation rate by 42.97\% and reduced the induction time of hydrate formation by 22.63\% as compared to water saturated C type silica gel. Presence of rhamnolipids also shifted methane hydrate formation temperature to higher values relative to the system without biosurfactant. Results from thermodynamic and kinetic studies suggest that rhamnolipids can be applied as environment friendly methane hydrate promoter.

}, issn = {2045-2322}, doi = {10.1038/srep20893}, author = {Arora, Amit and Cameotra, Swaranjit Singh and Kumar, Rajnish and Balomajumder, Chandrajit and Singh, Anil Kumar and Santhakumari, B. and Kumar, Pushpendra and Laik, Sukumar} } @article {42555, title = {Biosynthesis of anti-proliferative gold using endophytic fusarium oxysporum strain isolated from neem (A-indica) leaves}, journal = {Current topics in medicinal chemistry}, volume = {16}, year = {2016}, month = {JAN}, pages = {2036-2042}, abstract = {

Here we report a simple, rapid, environment friendly approach for the synthesis of gold nanoparticles using neem (Azadirachta indica A. Juss.) fungal endophyte, which based upon morphological and cultural characteristics was eventually identified as Fusarium oxysporum. The aqueous precursor (HAuCl4) solution when reacted with endophytic fungus resulted in the biosynthesis of abundant amounts of well dispersed gold nanoparticles of 10-40 nm with an average size of 22nm. These biosynthesized gold nanoparticles were then characterized by standard analytical techniques such as UV-Visible spectroscopy, X-ray diffraction, Transmission Electron Microscopy and Fourier Transform Infrared Spectroscopy. Cytotoxic activity of these nanoparticles was checked against three different cell types including breast cancer (ZR-75-1), Daudi (Human Burkitt{\textquoteright}s lymphoma cancer) and normal human peripheral blood mononuclear cells (PBMC), where it was found that our gold nanoparticles are anti-proliferative against cancer cells but completely safe toward normal cells. In addition to this, assessment of toxicity toward human RBC revealed less than 0.1 \% hemolysis as compared to Triton X-100 suggesting safe nature of our biosynthesized gold nanoparticles on human cells. Also, our nanoparticles exhibited no anti-fungal (against Aspergillus niger) or anti-bacterial [against Gram positive (Bacillus subtilis \& Staphylococcus aureus) and Gram negative (Escherichia coli \& Pseudomonas aeruginosa) bacteria] activity thus suggesting their non-toxic, biocompatible nature. The present investigation opens up avenues for eco-friendly, biocompatible nanomaterials to be used in a wide variety of application such as drug delivery, therapeutics, theranostics and so on.

}, doi = {10.2174/1568026616666160215160644}, author = {Siddiqui, Ejaz Ahmad and Ahmad, Absar and Julius, Anju and Syed, Asad and Khan, Shadab and Kharat, Mahesh and Pai, Kalpana and Kadoo, Narendra Y. and Gupta, Vidya} } @article {43634, title = {Biosynthesis of fluorescent Bi2S3 nanoparticles and their application as dual-functionSPECT-CT probe for animal imaging}, journal = {Current Topics In Medicinal Chemistry}, volume = {16}, year = {2016}, month = {OCT}, pages = {2019-2025}, abstract = {Bismuth sulphide (Bi2S3) is an excellent semiconductor and its nanoparticles have numerous significant applications including photovoltaic materials, photodiode arrays, bio-imaging, etc. Nevertheless, these nanoparticles when fabricated by chemical and physical routes tend to easily aggregate in colloidal solutions, are eco-unfriendly, cumbrous and very broad in size distribution. The aim of the present manuscript was to ecologically fabricate water dispersible, safe and stable Bi2S3 nanoparticles such that these may find use in animal imaging, diagnostics, cell labeling and other biomedical applications. Herein, we for the first time have biosynthesized highly fluorescent, natural protein capped Bi2S3 nanoparticles by subjecting the fungus Fusarium oxysporum to bismuth nitrate pentahydrate [Bi(NO3)(3).5H(2)O] alongwith sodium sulphite (Na2SO3) as precursor salts under ambient conditions of temperature, pressure and pH. The nanoparticles were completely characterized using recognized standard techniques. These natural protein capped Bi2S3 nanoparticles are quasi-spherical in shape with an average particle size of 15 nm, maintain long term stability and show semiconductor behavior having blue shift with a band gap of 3.04 eV. Semiconductor nanocrystals are fundamentally much more fluorescent than the toxic fluorescent chemical compounds (fluorophores) which are presently largely employed in imaging, immunohistochemistry, biochemistry, etc. Biologically fabricated fluorescent nanoparticles may replace organic fluorophores and aid in rapid development of biomedical nanotechnology. Thus, biodistribution study of the so-formed Bi2S3 nanoparticles in male Sprague Dawley rats was done by radiolabelling with Technitium-99m (Tc-99m) and clearance time from blood was calculated. The nanoparticles were then employed in SPECT-CT probe for animal imaging where these imparted iodine equivalent contrast.}, doi = {10.2174/1568026616666160215155347}, author = {Uddin, Imran and Ahmad, Absar and Siddiqui, Ejaz Ahmad and Rahaman, Sk. Hasanur and Gambhir, Sanjay} } @article { ISI:000378563200115, title = {Broad spectrum photon responsive, paramagnetic beta-NaGdF4: Yb3+, Er3+ - mesoporous anatase titania nanocomposite}, journal = {RSC Advances}, volume = {6}, number = {58}, year = {2016}, month = {MAY}, pages = {53504-53518}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we report a novel single multifunctional platform based on broad-spectrum photoactive beta-NaGdF4:18\% Yb3+, 2\% Er3+ and mesoporous anatase TiO2 for enhanced energy and simultaneous biomedical applications. Currently, the photoactive materials for solar energy harvesting applications have limitations in their efficiency due to their narrow photon absorption spectrum. The upconversion phosphor beta-NaGdF4: 18\% Yb3+, 2\% Er3+ nanorods collect and harvest the NIR photons (similar to 980 nm) of sunlight and transform them into visible light via anti-Stokes emission (lambda(em) similar to 521 and similar to 540 nm), and the photoactive mesoporous anatase TiO2 (mTiO(2)) utilizes UV and weak visible photons, thus the composite forms a broad spectrum photon-capture system and improved power conversion efficiency for enhanced applications in photocatalysis, and dye sensitized solar cells (DSSCs). The photocatalytic activity of the nanocomposite showed an improvement in comparison to the mTiO(2) for the degradation of various dyes. In addition, the photocurrent density and solar cell efficiency of the nanocomposites showed an improvement by similar to 24\% and similar to 17\% respectively, over mTiO(2). The beta-NaGdF4: Yb3+, Er3+/mTiO(2) nanocomposite exhibits a strong paramagnetic signal (chi similar to 6.45 x 10(-5) emu g(-1) Oe(-1)). The nuclear magnetic resonance (NMR) measurements showed large longitudinal T1 relaxivity (r(1) = 7.09 s(-1) mM(-1)) and magnetic resonance imaging showed enhanced T-1-weighted MRI images with increased concentrations of beta-NaGdF4: Yb3+, Er3+/mTiO(2) nanocomposite making them suitable for simultaneous magnetoresonance imaging. In addition, this composite system can also be used as a NIR triggered drug delivery system and in biomedical applications. Moreover, mesoporous TiO2 is expected to increase the photocatalytic active sites, dye, and absorption, and drug loading capacity. The as-designed multifunctional beta-NaGdF4:Yb3+, Er3+/mTiO(2) nanocomposite possessed simultaneous multiple discrete functionalities with excellent luminescence properties, intrinsic paramagnetism, biocompatibility, improved photocatalytic activity, and solar cell efficiency. This work provides a promising system to utilize NIR light, which will contribute to efficient photon harvesting and biological applications.

}, issn = {2046-2069}, doi = {10.1039/c6ra06813h}, author = {Padhye, Preeti and Sadhu, Subha and Malik, Monika and Poddar, Pankaj} } @article {42668, title = {Bromide ion mediated modification to digestive ripening process: preparation of ultra-small Pd, Pt, Rh and Ru nanoparticles}, journal = {Nano Research}, volume = {9}, year = {2016}, month = {MAY}, pages = {2007{\textendash}2017}, abstract = {

Nanoparticles of catalytically important transition metals, such as Pd, Pt, Rh, and Ru have been prepared by the well-known {\textquotedblleft}digestive ripening{\textquotedblright} (DR) and {\textquotedblleft}modified digestive ripening{\textquotedblright} (mDR) methods. In the traditional DR process, a polydisperse colloidal dispersion is refluxed in the presence of a surface-active molecule, such as alkanethiol. The mDR method involved a small modification in the procedure, wherein refluxing was performed with an alkanethiol and a tetra-alkylammonium bromide surfactant. This minor modification led to a dramatic change in the final particle size distributions, giving access to nanoparticles in the \<3 nm size regime; this was not possible with the traditional DR process. Bromide ions, which are present during refluxing, proved to be an important ingredient in the modification process. These bromide ions are revealed to act as etchants, resulting in ultra-small nanoparticles. All transition metal nanoparticles investigated displayed catalytic activity in the reduction reaction of p-nitro phenol. Pd nanoparticles, synthesized by a modified digestive ripening method, exhibited the best catalytic activity among the systems investigated.

}, doi = {10.1007/s12274-016-1091-0}, author = {Seth, Jhumur and Bhagavatula L. V. Prasad} } @article {43584, title = {Calculation of hyperfine structure constants of small molecules using Z-vector method in the relativistic coupled-cluster framework}, journal = {Journal of Chemical Sciences}, volume = {128}, year = {2016}, month = {OCT}, pages = {1671-1675}, abstract = {The Z-vector method in the relativistic coupled-cluster framework is employed to calculate the parallel and perpendicular components of the magnetic hyperfine structure constant of a few small alkaline earth hydrides (BeH, MgH, and CaH) and fluorides (MgF and CaF). We have compared our Z-vector results with the values calculated by the extended coupled-cluster (ECC) method reported in Phys. Rev. A 91 022512 (2015). All these results are compared with the available experimental values. The Z-vector results are found to be in better agreement with the experimental values than those of the ECC values.}, doi = {10.1007/s12039-016-1174-1}, author = {Sasmal, Sudip and Talukdar, Kaushik and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {45839, title = {Capsicum annuum proteinase inhibitor ingestion negatively impacts the growth of sorghum pest Chilo partellus and promotes differential protease expression}, journal = {Biochemistry and Biophysics Reports}, volume = {78}, year = {2016}, month = {DEC}, pages = {302-309}, type = {Article}, abstract = {Background Chilo partellus is an important insect pest infesting sorghum and maize. The larvae internalize in the stem, rendering difficulties in pest management. We investigated the effects of Capsicum annuum proteinase inhibitors (CanPIs) on C. partellus larvae by in-vitro and in-vivo experiments. Methods Recombinant CanPI-7 (with four-Inhibitory Repeat Domains, IRDs), -22 (two-IRDs) and insect proteinase activities were estimated by proteinase assays, dot blot assays and in gel activity assays. Feeding bioassays of lab reared C. partellus with CanPI-7 and -22 were performed. C. partellus proteinase gene expression was done by RT-PCR. In-silico structure prediction of proteinases and CanPI IRDs was carried out, their validation and molecular docking was done for estimating the interaction strength. Results Larval proteinases of C. partellus showed higher activity at alkaline pH and expressed few proteinase isoforms. Both CanPIs showed strong inhibition of C. partellus larval proteinases. Feeding bioassays of C. partellus with CanPIs revealed a dose dependent retardation of larval growth, reduction of pupal mass and fecundity, while larval and pupal periods increased significantly. Ingestion of CanPIs resulted in differential up-regulation of C. partellus proteinase isoforms, which were sensitive to CanPI-7 but were insensitive to CanPI-22. In-silico interaction studies indicated the strong interaction of IRD-9 (of CanPI-22) with Chilo proteinases tested. Conclusions Of the two PIs tested, CanPI-7 prevents induction of inhibitor insensitive proteinases in C. partellus so it can be explored for developing C. partellus tolerance in sorghum. General significance Ingestion of CanPIs, effectively retards C. partellus growth; while differentially regulating the proteinases.}, doi = {10.1016/j.bbrep.2016.09.016}, author = {Jadhav, A. R. and War, A. R. and Nikam, A. N. and Adhav, A. S. and Gupta, V. S. and Sharma, H. C. and Giri, A. P. and Tamhane, V.A.} } @inbook {45843, title = {Catalyst deactivation and regeneration}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {187-219}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {

Catalysis plays a vital role in the manufacture of fuels, industrial chemicals, fine chemicals, and specialty chemicals. A catalyst is not only expected to be highly active, it should be stable for long hours on stream and should be recyclable, if required. However, in reality, all the catalysts have finite life. Hence, a most important goal of any catalyst development is to get a catalyst that is highly active for long periods without needing any regeneration. This chapter addresses various causes of catalyst deactivation with reference to different catalyst systems. It discusses various forms coke (carbon) forms on catalysts and the side reactions that drive their formation. The role of support on carbon formation as well as how carbon can be limited using bimetallic catalysts is discussed. Various mechanisms responsible for sintering of metals have been discussed while suggesting means to suppress the same. This chapter also discusses loss of catalyst activity due to strong chemisorption of impurities or byproducts. Typical poisons to different catalysts are listed. The effect of various poisons and how they can influence the course of a catalytic reaction are described. A catalyst may also lose its activity due to mechanical failures such as (i) crushing of catalyst pellets or granules, (ii) breakup of catalyst pellets followed by its attrition, and (iii) erosion of catalyst particles or monolith wash coats. Various solutions to prevent or delay catalyst deactivation as well as various catalyst regeneration methods are summarized.

}, doi = {10.1016/B978-0-12-801457-8.00005-7}, author = {Satyanarayana, C. V. and Srikant, D. and Gurav, H. R.} } @article { ISI:000369545400100, title = {Catalytic activity of bare and porous palladium nanostructures in the reduction of 4-nitrophenol}, journal = {RSC Advances}, volume = {6}, number = {14}, year = {2016}, month = {JAN}, pages = {11911-11920}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The catalytic activity of bare and porous palladium nanostructures viz. palladium nanoballs (PdNBs) and palladium urchins (Pdurc) synthesized in surfactant based liquid crystalline mesophase have been investigated in the reduction of 4-nitrophenol. The loading of PdNBs and Pdurc nanocatalyst in the reaction are optimized to 1.57 x 10(-4) mol\% and 1.57 x 10(-3) mol\% respectively. The surface area normalized rate constant obtained at 303 K for PdNBs (0.74 +/- 0.03) s(-1) m(-2) L and Pdurc (0.41 +/- 0.05) s(-1) m(-2) L is the highest, considering the low palladium loading used in the reaction. The specific surface area determined for the PdNBs and Pdurc are 153 m(2) g(-1) and 27 m(2) g(-1) respectively. The high surface area of PdNBs nanostructure is consistent with the highest catalytic activity. The palladium nanostructure catalyzed reaction lacks induction time (t(0)), indicating the influence of porosity in the Langmuir-Hinshelwood mechanism. Besides, PdNBs and Pdurc exhibited thermal stability and structural integrity with good conversion of the substrate (\>97\%) even up to five consecutive reactions. The mechanistic insight of the bare and porous palladium nanostructures presented in this study is significant for the development of stable and efficient palladium metal based nanocatalyst.

}, issn = {2046-2069}, doi = {10.1039/c5ra23138h}, author = {Kalekar, Ajit M. and Sharma, Kiran Kumar K. and Luwang, Meitram Niraj and Sharma, Geeta K.} } @article { ISI:000378725800123, title = {Catecholase and phenoxazinone synthase activities of a ferromagnetically coupled tetranuclear Cu(II) complex}, journal = {RSC Advances}, volume = {6}, number = {63}, year = {2016}, month = {JUN}, pages = {58831-58838}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A crystallographically characterized tetranuclear Cu(II) complex [Cu-4(II)(L)(4)] (1) [H2L = N-(2-hydroxyethyl)-3-methoxysalicylaldimine] is found to show overall ferromagnetic exchange coupling. Complex (1) mimics the catalytic activity of the plant enzyme catechol oxidase by oxidising 3,5-di-tert-butylcatechol to its corresponding quinone in methanol and dichloromethane medium in the presence of aerial oxygen. The reaction follows Michaelis-Menten enzymatic reaction kinetics with turnover numbers (K-cat) 6.99 x 10(3) and 1.85 x 10(3) h(-1) in methanol and dichloromethane, respectively. 1 is also phenoxazinone synthase active in methanol medium with a turnover number of 1.21 x 10(5) h(-1).

}, issn = {2046-2069}, doi = {10.1039/c6ra11433d}, author = {Mitra, Merry and Kundu, Tanay and Kaur, Gurpreet and Sharma, Gyaneswar and Choudhury, Angshuman Roy and Singh, Yogesh and Ghosh, Rajarshi} } @conference {45847, title = {Characterizing flow and solid suspension in optimax crystallization workstation}, booktitle = {North American Mixing Forum 2016 - Core Programming Area at the 2016 AIChE Annual Meeting}, year = {2016}, month = {NOV}, publisher = {AIChE}, organization = {AIChE}, address = {San Francisco; United States}, isbn = {978-151083442-2}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85019102692\&origin=inward\&txGid=820eae9eac7a8eac5ea31078647c0e4f}, author = {Sardeshpande, M. and Pandit, A. and Vedantam, S. and Ranade, V. V.} } @article { ISI:000369482100014, title = {Characterizing the nanoclay induced constrained amorphous region in model segmented polyurethane-urea/clay nanocomposites and its implications on gas barrier properties}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {3}, year = {2016}, month = {JAN}, pages = {1487-1499}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

There has been an increasing recognition of the fact that purely geometric factors associated with clay platelet dispersion in a polymer matrix cannot adequately explain the barrier properties of polymer/clay nanocomposites. The objective of the present work is to understand the nanoclay induced structural changes in a polyurethane-urea matrix and clay dispersion at different length scales using segment-specific characterization techniques and implications of the same in gas barrier properties using He, N-2 and CO2 as probe molecules. Wide angle X-ray diffraction (WAXD) and positron annihilation life time spectroscopy (PALS) studies revealed nanoclay induced alterations in the chain packing of the amorphous soft segments of the polyurethane matrix at a molecular scale of a few Angstroms. The hard segment organization and the phase morphology of the nanocomposites, spanning length scales of several nanometers, were investigated by small angle X-ray scattering (SAXS), scanning electron microscopy (SEM) and atomic force microscopy (AFM). Furthermore, the presence of a constrained amorphous region surrounding the nanoclay was confirmed from AFM, WAXD and PALS results. Several pertinent structural variables from the gas transport point of view were deduced from these characterization techniques to understand the effect of the barrier properties in tandem with the clay dispersion morphology.

}, issn = {1463-9076}, doi = {10.1039/c5cp05260b}, author = {Rath, Sangram K. and Sudarshan, Kathi and Bhavsar, Rupesh S. and Kharul, Ulhas K. and Pujari, Pradeep K. and Patri, Manoranjan and Khakhar, Devang V.} } @article { ISI:000373519300040, title = {Chitosan-based lead ion-imprinted interpenetrating polymer network by simultaneous polymerization for selective extraction of lead(ii)}, journal = {Industrial \& Engineering Chemistry Research}, volume = {55}, number = {12}, year = {2016}, month = {MAR}, pages = {3668-3678}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this study, we report the synthesis of a Pb(II) ion-imprinted interpenetrating polymer network (II-IPN) by simultaneous polymerization for selective extraction of Pb(II) from printed-circuit-board (PCB) recycling unit wastewater. Initially, a polymer network was synthesized by polymerization of methacrylic acid (monomer) and ethylene glycol dimethacrylate (cross-linker) and a second polymer network by chitosan (complexing monomer) and tetraethyl orthosilicate (cross-linker). The chemical structure and morphology of the II-IPN were analyzed using Fourier transform infrared, field-emission scanning electron microscopy, atomic force microscopy, and transmission electron microscopy. The interaction of the functionality in the II-IPN with Pb(II) through chelation was studied by X-ray photoelectron spectroscopy analysis. The maximum adsorption capacities for II-IPN and nonimprinted interpenetrating polymer network were 37.5 and 10.3 mg g(-1), respectively. The largest selectivity coefficient for Pb(II) in the presence of W(VI) was 161.58. The developed Pb(II) II-IPN was successfully employed for selective extraction of Pb(II) from PCB recycling unit wastewater.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b04889}, author = {Hande, Pankaj E. and Kamble, Sanjay and Samui, Asit B. and Kulkarni, Prashant S.} } @article { ISI:000381562500001, title = {Cholesterol-dependent conformational plasticity in GPCR dimers}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {AUG}, pages = {31858}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

The organization and function of the serotonin1A receptor, an important member of the GPCR family, have been shown to be cholesterol-dependent, although the molecular mechanism is not clear. We performed a comprehensive structural and dynamic analysis of dimerization of the serotonin1A receptor by coarse-grain molecular dynamics simulations totaling 3.6 ms to explore the molecular details of its cholesterol-dependent association. A major finding is that the plasticity and flexibility of the receptor dimers increase with increased cholesterol concentration. In particular, a dimer interface formed by transmembrane helices I-I was found to be sensitive to cholesterol. The modulation of dimer interface appears to arise from a combination of direct cholesterol occupancy and indirect membrane effects. Interestingly, the presence of cholesterol at the dimer interface is correlated with increased dimer plasticity and flexibility. These results represent an important step in characterizing the molecular interactions in GPCR organization with potential relevance to therapeutic interventions.

}, issn = {2045-2322}, doi = {10.1038/srep31858}, author = {Prasanna, Xavier and Sengupta, Durba and Chattopadhyay, Amitabha} } @article { ISI:000379369800003, title = {Chromium free high temperature water-gas shift catalyst for the production of hydrogen from waste derived synthesis gas}, journal = {Applied Catalysis A-General}, volume = {522}, year = {2016}, month = {JUL}, pages = {21-31}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A comparative study between monometallic (Me-CeO2, Me =Zn, Cu, Fe and Co) and Ni-doped bimetallic (Me-Ni-CeO2) catalysts has been performed in the high temperature water-gas shift (HT-WGS) reaction using waste derived synthesis gas. Experimental results revealed that Me-Ni-CeO2 exhibited higher catalytic performance than simple Me-CeO2 catalysts. Within the Me-Ni-CeO2 series, Co-Ni-CeO2 exhibited excellent and stable catalytic performance (CO conversion \> 90\%) at a very high GHSV of 143,000 h(-1). The existence of high" concentration of Ce3+ ions and oxygen vacancies on the catalyst surface were responsible for the increased WGS activity of Co-Ni-CeO2. In addition, Co-Ni-CeO2 maintains a stable performance for 50 h. However, commercial Fe2O3-Cr2O3 catalyst showed a steep decline from their initial CO conversion values 15-10\% within 5 h. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {CeO2, Co-Ni-CeO2, Lattice strain, oxygen vacancies, Water-gas shift}, issn = {0926-860X}, doi = {10.1016/j.apcata.2016.04.027}, author = {Jha, Ajay and Jeong, Dae-Woon and Lee, Yeol-Lim and Jang, Won-Jun and Shim, Jae-Oh and Jeon, Kyung-Won and Rode, Chandrashekhar V. and Roh, Hyun-Seog} } @article {43574, title = {"Click" polymerization: a convenient strategy to prepare designer fullerene materials}, journal = {Materials \& Design}, volume = {108}, year = {2016}, month = {OCT}, pages = {34-41}, abstract = {"Click" polymeric assemblies of fullerenes, thiophenes and aryl compounds were prepared for the first time to study their spectroscopic/chemical/electronic characteristics and possible applications in photovoltaic cells. The GPC and NMR spectroscopic data confirmed a moderate to high degree of polymerization while microscopic pictures showed well-defined arrangements of fullerenes. The FTIR studies indicated that the product is free from starting azide materials, whereas thermogravimetric analysis data suggested a good stability. Band gap of the material was determined using UV-Vis spectroscopy, cyclic voltammetric techniques and compared with computational investigation. The fullerene copolymer was fabricated as acceptor material in a bulk heterojunction photovoltaic cell. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.matdes.2016.06.059}, author = {Krishnamurthy, Munusamy and Krishnamoorthy, Kothandam and Arulkashmir, Arulraj and Raghavendra, V. and Murali, Adhigan and Jaisankar, Sellamuthu N. and Murugan, P. and Gurusamy-Thangavelu, Senthil A. and Nasar, A. Sultan and Mandal, Asit Baran and Samanta, Debasis} } @article { ISI:000374920400016, title = {CO oxidation on large high-index faceted Pd nanostructures}, journal = {Journal of Catalysis}, volume = {337}, year = {2016}, month = {MAY}, pages = {138-144}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

The structure sensitivity of CO oxidation has been investigated on oxide-supported palladium nanoparticles of different morphologies. The reactivity of concave nanocubes and nanoflowers that expose {3 1 0} and {3 1 1} high-index facets showed a lower onset temperature for CO oxidation than Pd nanospheres of size around 6 nm. These concave nanocubes and nanoflowers were also found to catalyze the CO oxidation reaction more efficiently than simple cubes and spheres of similar size that exposed low-index facets. The enhanced activity of these nanoparticles compared with other morphologies are attributed to the presence of sites of under-coordination on the exposed high-index facets. The larger nanoparticles were also found to be more stable in the reaction environment. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {CO oxidation, High-index facets, Pd nanoparticles, structure sensitivity}, issn = {0021-9517}, doi = {10.1016/j.jcat.2016.01.017}, author = {Sreedhala, S. and Sudheeshkumar, V. and Vinod, C. P.} } @article {43425, title = {CO2 Laser direct written MOF-based metal-decorated and heteroatom-doped porous graphene for flexible all-solid-state microsupercapacitor with extremely high cycling stability}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {NOV}, pages = {31841-31848}, abstract = {Over the past decade, flexible and wearable microelectronic devices and systems have gained significant importance. Because portable power source is an essential need of such wearable devices, currently there is considerable research emphasis on the development of planar interdigitated micro energy-torage devices by employing diverse precursor materials to obtain functional materials (functional carbon, oxides, etc.) with the desirable set of properties. Herein we report for the first time the use of metal organic framework (MOF) and zeolitic imidazolate framework (ZIF-67) for high-wavelength photothermal laser direct writing of metal-decorated, heteroatom-doped, porous few-layer graphene electrodes for microsupercapacitor application. We argue that the specific attributes of MOF as a precursor and the high-wavelength laser writing approach (which creates extremely high localized and transient temperature (>2500 degrees C) due to strong absorption by lattice vibrations) are together responsible for the peculiar interesting properties of the carbon material thus synthesized, thereby rendering extremely high cycling stability to the corresponding microsupercapacitor device. Our device exhibits near 100\% retention after 200 000 cycles as well as stability under 150 degrees bending.}, doi = {10.1021/acsami.6b10193}, author = {Basu, Aniruddha and Roy, Kingshuk and Sharma, Neha and Nandi, Shyamapada and Vaidhyanathan, Ramanathan and Rane, Sunit and Rode, Chandrashekhar V. and Ogale, Satishchandra B.} } @article {45848, title = {Cobalt ferrite bearing nitrogen-doped reduced graphene oxide layers spatially separated with microporous carbon as efficient oxygen reduction electrocatalyst}, journal = {ACS Applied Materials and Interfaces}, volume = {8}, year = {2016}, month = {AUG}, pages = {20730-20740}, type = {Article}, abstract = {The present work discloses how high-quality dispersion of fine particles of cobalt ferrite (CF) could be attained on nitrogen-doped reduced graphene oxide (CF/N-rGO) and how this material in association with a microporous carbon phase could deliver significantly enhanced activity toward electrochemical oxygen reduction reaction (ORR). Our study indicates that the microporous carbon phase plays a critical role in spatially separating the layers of CF/N-rGO and in creating a favorable atmosphere to ensure the seamless distribution of the reactants to the active sites located on CF/N-rGO. In terms of the ORR current density, the heat-treated hybrid catalyst at 150 {\textdegree}C (CF/N-rGO-150) is found to be clearly outperforming (7.4 {\textpm} 0.5 mA/cm 2 ) the state-of-the-art 20 wt \% Pt-supported carbon catalyst (PtC) (5.4 {\textpm} 0.5 mA/cm 2 ). The mass activity and stability of CF-N-rGO-150 are distinctly superior to PtC even after 5000 electrochemical cycles. As a realistic system level exploration of the catalyst, testing of a primary zinc-air battery could be demonstrated using CF/N-rGO-150 as the cathode catalyst. The battery is giving a galvanostatic discharge time of 15 h at a discharge current density of 20 mA/cm 2 and a specific capacity of \~{}630 mAh g -1 in 6 M KOH by using a Zn foil as the anode. Distinctly, the battery performance of this system is found to be superior to that of PtC in less concentrated KOH solution as the electrolyte.}, doi = {10.1021/acsami.6b05416}, author = {Kashyap, V. and Singh, S. K. and Kurungot, S.} } @article { ISI:000378973100031, title = {Cobalt-modified covalent organic framework as a robust wateroxidation electrocatalyst}, journal = {Chemistry of Materials}, volume = {28}, number = {12}, year = {2016}, month = {JUN}, pages = {4375-4379}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The development of stable, efficient oxygen evolution reaction (OER) catalyst capable of oxidizing water is one of the premier challenges in the conversion of solar energy to electrical energy, because of its poor kinetics. Herein, a bipyridine-containing covalent organic framework (TpBpy) is utilized as an OER catalyst by way of engineering active Co(II) ions into its porous framework. The as-obtained Co-TpBpy retains a highly accessible surface area (450 m(2)/g) with exceptional stability, even after 1000 cycles and 24 h of OER activity in phosphate buffer under neutral pH conditions with an overpotential of 400 mV at a current density of 1 mA/cm(2). The unusual catalytic stability of Co-TpBpy arises from the synergetic effect of the inherent porosity and presence of coordinating units in the COF skeleton.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.6b01370}, author = {Aiyappa, Harshitha Barike and Thote, Jayshri and Shinde, Digambar Balaji and Banerjee, Rahul and Kurungot, Sreekumar} } @article {42999, title = {Comparative functional characterization of eugenol synthase from four different ocimum species: implications on eugenol accumulation}, journal = {Biochimica Et Biophysica Acta-Proteins and Proteomics}, volume = {1864}, year = {2016}, month = {NOV}, pages = {1539-1547}, abstract = {

Isoprenoids and phenylpropanoids are the major secondary metabolite constituents in Ocimum genus. Though enzymes from phenylpropanoid pathway have been characterized from few plants, limited information exists on how they modulate levels of secondary metabolites. Here, we performed phenylpropanoid profiling in different tissues from five Ocimum species, which revealed significant variations in secondary metabolites including eugenol, eugenol methyl ether, estragole and methyl cinnamate levels. Expression analysis of eugenol synthase (EGS) gene showed higher transcript levels especially in young leaves and inflorescence; and were positively correlated with eugenol contents. Additionally, transcript levels of coniferyl alcohol acyl transferase, a key enzyme diverting pool of substrate to phenylpropanoids, were in accordance with their abundance in respective species. In particular, eugenol methyl transferase expression positively correlated with higher levels of eugenol methyl ether in Ocimum tenuiflorum. Further, EGSs were functionally characterized from four Ocimum species varying in their eugenol contents. Kinetic and expression analyses indicated, higher enzyme turnover and transcripts levels, in species accumulating more eugenol. Moreover, biochemical and bioinformatics studies demonstrated that coniferyl acetate was the preferred substrate over coumaryl acetate when used, individually or together, in the enzyme assay. Overall, this study revealed the preliminary evidence for varied accumulation of eugenol and its abundance over chavicol in these Ocimum species. Current findings could potentially provide novel insights for metabolic modulations in medicinal and aromatic plants. (C) 2016 Elsevier B.V. All rights reserved.

}, doi = {10.1016/j.bbapap.2016.08.004}, author = {Anand, Atul and Jayaramaiah, Ramesha H. and Beedkar, Supriya D. and Singh, Priyanka A. and Joshi, Rakesh S. and Mulani, Fayaj A. and Dholakia, Bhushan B. and Punekar, Sachin A. and Gade, Wasudeo N. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article { ISI:000368941700025, title = {Comparative study of dG affinity vs. DNA methylation modulating properties of side chain derivatives of procainamide: insight into its DNA hypomethylating effect}, journal = {RSC Advances}, volume = {6}, number = {7}, year = {2016}, month = {JAN}, pages = {5350-5358}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Procainamide derivatives have been synthesized to investigate the role of side chains in modulating the DNA methylation level in cancer cells and gain insight into its mechanism of action. The synthesized derivatives comprised of flexible (dimethyl), constrained (pyrrolidine, piperidine, morpholine) and planar aromatic (pyridine, phenyl) side chain motifs. The affinity of procainamide and its derivatives towards the deoxyguanosine (dG) base in neutral form has been assessed by performing Differential Pulse Voltammetry (DPV) under physiological conditions. Further, molecular docking with hemimethylated CpG rich DNA acquired from an active mDNMT-1-DNA (PDB ID-4DA4) crystal structure, reveals their preferential non-covalent interaction with dG nucleobase in the intercalation cavity of the minor groove. Differential affinity of the derivatives to dG base in neutral and bound forms (DNA) is correlated with their DNA methylation modulating properties at sub-lethal concentrations. Among all the derivatives, a compound with an aromatic phenyl side chain (1) has shown a highest binding affinity for dG nucleobase in neutral form as well as for partially denatured CpG rich DNA which is attributed to the formation of p/p stacking interaction in addition to N-H/O hydrogen bonding with the pyrimidine ring of dG base. It also shows the highest cytotoxicity and global hypomethylation at a sub-lethal level in the MCF-7 cancer cell line compared to other derivatives and procainamide. A docking study has also illustrated the plausible structural basis of DNA methylation modulating a property of procainamide. Strong association of procainamide with dG bases of partially denatured CpG rich DNA via H-bonding and other non-covalent interactions may alter the active topology of DNA required by the DNA-binding regulatory proteins (e. g. DNMT-1) which is validated by a DNMT-1 inhibition assay. This systematic investigation leads to a new potent alternative to procainamide being found and gives a plausible insight into the DNA hypomethylating effect of procainamide.

}, issn = {2046-2069}, doi = {10.1039/c5ra20012a}, author = {Gawade, Rupesh L. and Chakravarty, Debamitra K. and Debgupta, Joyashish and Sangtani, E. and Narwade, S. and Gonnade, Rajesh G. and Puranik, Vedavati G. and Deobagkar, D. D.} } @article { ISI:000370464800023, title = {Complexation key to a pH locked redox reaction}, journal = {Journal of Chemical Education}, volume = {93}, number = {2}, year = {2016}, month = {FEB}, pages = {355-361}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An unfavorable pH can block a feasible electron transfer for a pH dependent redox reaction. In this experiment, a series of potentiometric titrations demonstrate the sequential loss in feasibility of iron(II) dichromate redox reaction over a pH range of 0-4. The pH at which this reaction failed to occur was termed as a pH locked reaction. The comparative ability of 10 selected iron binding ligands with varied propensity for the redox potential modification of Fe(III)/Fe(II) redox couple to restore/unlock the pH locked redox reaction is shown using potentiometric titrations. The spectrophotometric speciation analysis of Fe(III) Tiron complexation with pH was carried out to explain the differing ability of EDTA and Tiron to unlock the reaction under different pH Conditions. The experiment illustrates how environmental, biological redox reactions avoid severe laboratory conditions to occur and can be explored in the design of novel redox systems for natural attenuation of environmental toxins to their non- or lesser-toxic forms. The experiment also demonstrates prudent laboratory practice for safe waste disposal.

}, keywords = {Analytical Chemistry, Aqueous Solution Chemistry, Coordination Compounds, Oxidation/Reduction, pH, Physical Chemistry, Potentiometry, Second-Year Undergraduate, Thermodynamics, Titration/Volumetric Analysis, Upper-Division Undergraduate}, issn = {0021-9584}, doi = {10.1021/acs.jchemed.5b00499}, author = {Rizvi, Masood Ahmad and Dangat, Yuvraj B. and Shams, Tahir and Khan, Khaliquz Zaman} } @article { ISI:000370029900002, title = {Compounds with low-valent p-block elements for small molecule activation and catalysis}, journal = {Chemcatchem}, volume = {8}, number = {3}, year = {2016}, month = {FEB}, pages = {486-501}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

The past decade has witnessed staggering progress in the chemistry of compounds with low-valent main-group elements. Although these discoveries are mostly fundamental by nature, these compounds show promising reactivity towards small molecule activation. The reactivity of these compounds stems from the modest HOMO-LUMO energy gap; a characteristic known for the transition metals. The journey began in 2005 with the facile activation of dihydrogen by an alkyne analog of germanium [ArGeGeAr; Ar=2,6-Trip(2)-C6H3 (Trip=2,4,6-iPr(3)-C6H2)]. Subsequently, tremendous progress has been achieved in understanding and elucidating the potential of these compounds to activate small molecules as well as to use them in a variety of stoichiometric and catalytic transformations. In this review, we focus on developments in the activation of H-2, NH3, CO, and CO2 by compounds with multiply bound or open shell main-group elements. Emphasis will be given to their catalytic activity.

}, keywords = {activation, carbenes, main-group elements, silylenes, small molecules}, issn = {1867-3880}, doi = {10.1002/cctc.201501015}, author = {Yadav, Sandeep and Saha, Sumana and Sen, Sakya S.} } @article { ISI:000376689000006, title = {Concise enantioselective synthesis of (+)-L-733,060 and (+)-T-2328 via sequential proline catalysis}, journal = {Synlett}, volume = {27}, number = {9}, year = {2016}, month = {JUN}, pages = {1339-1343}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

A new, sequential proline-catalyzed approach to the synthesis of (+)-L-733,060 and (+)-T-2328 in high optical purity (93\% ee) is described starting from phenyl N-Boc imine. The strategy involves proline-catalyzed Mannich reaction of an arylimine with acetaldehyde followed by -aminoxylation/Wittig olefination in a sequential fashion as the key steps.

}, keywords = {Aminoxylation, imine, Mannich reaction, olefination, sequential}, issn = {0936-5214}, doi = {10.1055/s-0035-1561346}, author = {Lalwani, Komal G. and Sudalai, Arumugam} } @article { ISI:000373408800021, title = {Concise enantioselective synthesis of (+)-sertraline and (-)-CP-52002 using proline catalysis}, journal = {Tetrahedron Letters}, volume = {57}, number = {9}, year = {2016}, month = {MAR}, pages = {1053-1055}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A short enantioselective synthesis of (+)-sertraline and its C-4 epimer (-)-CP-52002 with an overall yield of 30\%, respectively, as its hydrochloride has been described. The key steps are the proline catalyzed Mannich reaction of acetaldehyde and acid catalyzed intramolecular Friedel-Crafts{\textquoteright} alkylation reaction of olefin proceeding with high optical purities. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Indatraline, Mannich reaction, Proline catalysis, Sertraline, Tametraline}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2016.01.085}, author = {Kalshetti, Rupali G. and Venkataramasubramanian, V. and Kamble, Sanjay P. and Sudalai, Arumugam} } @article { ISI:000375142200228, title = {Conformational dynamics of GPCR dimers is dependent on membrane cholesterol}, journal = {Biophysical Journal}, volume = {110}, number = {3, 1}, year = {2016}, note = {60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, FEB 27-MAR 02, 2016}, month = {FEB}, pages = {356A-356A}, publisher = {Biophys Soc}, address = {600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA}, issn = {0006-3495}, author = {Sengupta, Durba and Prasanna, Xavier and Chattopadhyay, Amitabha} } @article { ISI:000376417400001, title = {Conformational energy landscape of the ritonavir molecule}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {19}, year = {2016}, month = {MAY}, pages = {4331-4340}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Conformational polymorphism of ritonavir, a well-known pharmaceutical drug, is intricately linked to its efficacy in the treatment of acquired immunodeficiency syndrome (AIDS). Polymorphic transition from the crystalline form I to form II leads to the loss of bioactivity. The constituent ritonavir molecules adopt a trans configuration about the carbamate torsion angle in the form I crystal, and a cis configuration in the form II crystal. Investigating the energetics and mechanistic features of conformational transitions at the single molecule level is a key step toward decoding the complex features of the solid state polymorphism. In this work, we employ the energy landscape framework to investigate the conformational transitions of an isolated ritonavir molecule. The landscape is explored using discrete path sampling (DPS) and visualized in terms of disconnectivity graphs. We identify two distinct funnels corresponding to the two molecular forms that are identified by crystallography. The two regions can be reliably distinguished using the carbamate torsion angle, and the corresponding interconversion rates are predicted to follow Arrhenius behavior. The results provide mechanistic insight into pathways for cis \<-\> trans interconversion at the molecular level and may also help in elucidating the polymorphic transitions in the crystal state.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b12272}, author = {Chakraborty, Debayan and Sengupta, Neelanjana and Wales, David J.} } @article {42692, title = {Conformational features of the Aβ42 peptide monomer and its interaction with the surrounding solvent}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, year = {2016}, month = {OCT}, pages = {30144-30159}, doi = {10.1039/C6CP04925G}, author = {Khatua, Prabir and Jose, Jaya C. and Sengupta, Neelanjana and Bandyopadhyay, Sanjoy} } @article {43442, title = {Constructing covalent organic frameworks in water via dynamic covalent bonding}, journal = {Iucrj}, volume = {3}, year = {2016}, month = {NOV}, pages = {402-407}, abstract = {The formation of keto-enamine based crystalline, porous polymers in water is investigated for the first time. Facile access to the Schiff base reaction in water has been exploited to synthesize stable porous structures using the principles of Dynamic Covalent Chemistry (DCC). Most credibly, the water-based Covalent Organic Frameworks (COFs) possess chemical as well as physical properties such as crystallinity, surface area and porosity, which is comparable to their solvothermal counterparts. The formation of COFs in water is further investigated by understanding the nature of the monomers formed using hydroxy and non-hydroxy analogues of the aldehyde. This synthetic route paves a new way to synthesize COFs using a viable, greener route by utilization of the DCC principles in conjunction with the keto-enol tautomerism to synthesize useful, stable and porous COFs in water.}, doi = {10.1107/S2052252516013762}, author = {Thote, Jayshri and Aiyappa, Harshitha Barike and Kumar, Raya Rahul and Kandambeth, Sharath and Biswal, Bishnu P. and Shinde, Digambar Balaji and Roy, Neha Chaki and Banerjee, Rahul} } @article {43640, title = {Controllable synthesis of SnO2 photocatalyst with superior photocatalytic activity for the degradation of methylene blue dye solution}, journal = {Journal of Experimental Nanoscience}, volume = {11}, year = {2016}, month = {MAY}, pages = {1138-1155}, abstract = {SnO2 photocatalyst was successfully synthesised by novel chemical route in hydrothermal environment and annealed at two different temperatures viz 550 and 600 degrees C, respectively. The crystal structure, optical properties, surface and bulk morphology have been characterised using various tools like X-ray diffraction (XRD), UV visible spectroscopy, Fourier transform infrared spectroscopy, transmission electron microscope (TEM) and scanning electron microscope (SEM). Cubic, spheres and porous like morphology of SnO2 photocatalyst was successfully confirmed using SEM micrographs and TEM. In addition to this the photocatalytic activity was evaluated towards the degradation of methylene blue dye solution. SnO2 photocatalyst annealed at 600 degrees C exhibits excellent photocatalytic efficiency which may be attributed to the unique morphology, high crystalline nature and charge separation. The photocatalyst efficiency was further tested towards the concentration of dye, catalyst dosage and pH of the dye. The involvement of center dot OH in the photocatalytic reaction was evidenced using trapping experiment by employing different scavengers. The photocatalyst was moderately active, stable upto its fifth usage and stability of the photocatalyst before and after the photocatalytic reaction was also been studied using XRD and SEM.}, doi = {10.1080/17458080.2016.1188222}, author = {Prakash, K. and Kumar, P. Senthil and Pandiaraj, S. and Saravanakumar, K. and Karuthapandian, S.} } @article {45827, title = {Coordination polymers of Fe(III) and Al(III) ions with TCA ligand: distinctive fluorescence, CO2 uptake, redox-activity and oxygen evolution reaction}, journal = {Dalton Transactions}, volume = {45}, year = {2016}, month = {FEB}, pages = {6901-6908}, type = {Article}, abstract = {

Fe and Al belong to different groups in the periodic table, one from the p-block and the other from the d-block. In spite of their different groups, they have the similarity of exhibiting a stable 3+ oxidation state. Here we have prepared Fe(III) and Al(III) based coordination polymers in the form of metal-organic gels with the 4,4{\textquoteright}, 4 {\textquoteleft}{\textquoteright}-tricarboxyltriphenylamine (TCA) ligand, namely Fe-TCA and Al-TCA, and evaluated some important physicochemical properties. Specifically, the electrical conductivity, redox-activity, porosity, and electrocatalytic activity (oxygen evolution reaction) of the Fe-TCA system were noted to be remarkably higher than those of the Al-TCA system. As for the photophysical properties, almost complete quenching of the fluorescence originating from TCA was observed in case of the Fe-TCA system, whereas for the Al-TCA system a significant retention of fluorescence with red-shifted emission was observed. Quantum mechanical calculations based on density functional theory (DFT) were performed to unravel the origin of such discriminative behaviour of these coordination polymer systems.

}, issn = {1477-9226}, doi = {10.1039/c6dt00009f}, author = {Dhara, Barun and Sappati, Subrahmanyam and Singh, Santosh K. and Kurungot, Sreekumar and Ghosh, Prasenjit and Ballav, Nirmalya} } @article {43006, title = {Copolymers comprising monomers with various dipole and quadrupole as active material in organic field effect transistors}, journal = {Journal of Physical Chemistry C}, volume = {120}, year = {2016}, month = {NOV}, pages = {26199-26205}, abstract = {

Copolymers of 4,4-difluoro-4-borata-3a-azonia-4a-aza-s-indacene (BODIPY) and diketopyrrolopyrrole (DPP) were synthesized. The BODIPY has a permanent dipole and the DPP has a quadrupole. The dipole and the quadrupole in the monomers are expected to bring the polymers closer and to improve the charge-transport properties. By judicious choice of these monomers, the electron wave function is evenly distributed through the molecules. However, we notice that the torsional angle at the connecting point of BODIPY and DPP is a function of the methyl moieties at the beta,beta{\textquoteright} position of the BODIPY. We found that the polymer comprising DPP and BODIPY without methyl moiety at beta,beta{\textquoteright} position showed a torsional angle of 27, the lowest among the three polymers studied in this work. The absorption spectrum of the polymer showed transitions because of vibronic coupling indicating linearity along the polymer backbone. The band gap of the polymer was found to be 1.2 eV. The thermally stable polymer showed an ambipolar charge transport of 0.01 cm(2)/(V s).

}, doi = {10.1021/acs.jpcc.6b08225}, author = {Singh, Saumya and Chithiravel, Sundaresan and Krishnamoorthy, Kothandam} } @article { ISI:000373408600014, title = {Correlating the role of hydrophilic/hydrophobic nature of Rh(I) and Ru(II) supported organosilica/silica catalysts in organotransformation reactions}, journal = {Applied Catalysis A-General}, volume = {513}, year = {2016}, month = {MAR}, pages = {138-146}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Highly reactive and hydrophobic triphenyl phosphine based rhodium(I) and ruthenium(II) organometallic complexes over benzene containing periodic mesoporous organosilica (PMOB) have been synthesized. This has been achieved by the immobilization of neat metal complexes like RhCl(PPh3)(3) [Wilkinson catalyst], RuHCl(CO)(PPh3)(3) and RuCl2(PPh3)(3) over aminofunctionalized PMOB to get RhCl(PPh3)(2)-PrNH2PMOB, RuHCl(CO)(PPh3)(2)-PrNH2PMOB and RuCl2(PPh3)(3)-PrNH2PMOB, respectively. The physico-chemical properties of the functionalized catalysts were analyzed by elemental analysis, ICP-OES, XRD, N-2 sorption analyses, FT-IR, solid state C-13 and Si-29 NMR spectra, XPS, SEM, TEM and contact angle measurements. The XRD and N-2 sorption analyses showed excellent textural properties with ordered mesoporous channel structure of all synthesized catalysts. The organic moieties anchored in PMOB were confirmed by C-13 CPMAS NMR and Fr-IR spectroscopy with Si-29 CPMAS NMR spectroscopy providing the information about the degree of functionalization of surface silanol groups with organic moiety. The Rh(I) and Ru(II) complexes supported on MCM-41/SBA-15/PMOE (ethane-PMO) were synthesized, and their catalytic activities in hydrogenation and sulfoxidation reactions were compared with Rh(I) and Ru(II) complexes supported on PMOB. The results show that PMOB based catalysts exhibit higher activities and selectivities than MCM-41/SBA-15/PMOB supported catalysts, neat homogeneous complexes and without catalyst. The better catalytic performance of PMOB based catalyst is attributed to the hydrophobic nature and high surface area of the PMOB support. The recycling studies of anchored catalysts show no major deactivation of the catalyst. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Heterogeneous catalysts, Hydrogenation and sulfoxidation, Hydrophobic, Periodic mesoporous organosilica}, issn = {0926-860X}, doi = {10.1016/j.apcata.2015.12.026}, author = {Lazar, Anish and George, Shoy C. and Jithesh, P. R. and Vinod, C. P. and Singh, A. P.} } @article {42631, title = {Crystal engineering of a zwitterionic drug to neutral cocrystals: a general solution for floxacins}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {SEP}, pages = {12610-12613}, abstract = {

The transformation of zwitterionic Sparfloxacin (SPX) to the neutral form is achieved by cocrystallization. Neutral forms of drugs are important for higher membrane permeability, while zwitterions are more soluble in water. The twin advantages of higher solubility/dissolution rate and good stability of neutral SPX are achieved in a molecular cocrystal compared to its zwitterionic SPX hydrate. The amine-phenol supra-molecular synthon drives cocrystal formation, with the paraben ester acting as a "proton migrator{\textquoteright}{\textquoteright} for the ionic to neutral transformation.

}, doi = {10.1039/c6cc06627e}, author = {Gunnam, Anilkumar and Suresh, Kuthuru and Ganduri, Ramesh and Nangia, Ashwini} } @article { ISI:000366864700006, title = {Cu-catalyzed sequential C-N bond formations: expeditious synthesis of tetracyclic indoloindol-3-ones}, journal = {Organic Chemistry Frontiers}, volume = {3}, number = {1}, year = {2016}, month = {NOV}, pages = {43-46}, publisher = {CHINESE CHEMICAL SOC}, address = {PO BOX 1-18, NANKANG, TAIPEI 115, TAIWAN}, abstract = {

The tetracyclic indoloindol-3-one core has been forged from easily accessible 2,2{\textquoteright}-bis-bromochalcones employing a reaction cascade comprising Cu-catalyzed SNAr with azide; nitrene C-H insertion and intramolecular Ullmann reaction with all three C-N bond formations in one-go.

}, issn = {2052-4129}, doi = {10.1039/c5qo00248f}, author = {Kulkarni, Anand M. and Srinivas, Kolluru and Deshpande, Mukund V. and Ramana, Chepuri V.} } @article {43014, title = {Culture conditions for the production of thermostable lipase by thermomyces lanuginosus}, journal = {Journal of Basic and Applied Sciences}, year = {2016}, month = {NOV}, abstract = {

In the present investigation lipase production by three strains of thermophilic Thermomyces lanuginosus (GSLMBKU-10, GSLMBKU-13 and GSLMBKU-14) was carried out in submerged fermentation process. Olive oil and triacetin (0.1\%) were added to the basal medium, which stimulated the lipase production. The maximum lipase was produced by GSLMBKU-10 and GSLMBKU-13 in yeast extract starch medium supplemented with triacetin (0.1\%). The optimum pH was recorded at 6.0, 6.5 and 7.0 by GSLMBKU-10, GSLMBKU-13 and GSLMBKU-14 respectively. T. lanuginosus GSLMBKU-10 strains failed to produce lipase at pH 8.0. The optimum temperature for lipase production was observed at 45 {\textdegree}C by GSLMBKU-14 and GSLMBKU-10, while that for GSLMBKU-13 was at 50 {\textdegree}C. The marginal temperature ranged from 45 {\textdegree}C to 50 {\textdegree}C for both lipase production and vegetative growth by the three strains of T. lanuginosus under study. In conclusion, the GSLMBKU-13 strain was comparatively superior in the production of lipase than the other two strains under investigation.

}, doi = {10.1016/j.bjbas.2016.11.010}, author = {Sreelatha, B. and Vankudoth, Koteswara Rao and Kumar, R. Ranjith and Girisham, Sivadevuni and Reddy, S. M.} } @article {43622, title = {Cutaneous exposure to clinically-relevant pigeon pea (Cajanus cajan) proteins promote T(H)2-dependent sensitization and IgE-mediated anaphylaxis in Balb/c mice}, journal = {Journal of Immunotoxicology}, volume = {13}, year = {2016}, month = {JAN}, pages = {827-841}, abstract = {Epicutaneous (EC) sensitization to food allergens may occur when the skin has been lightly damaged. The study here tested whether cutaneous exposure to pigeon pea protein(s) may cause allergic sensitization. BALB/c mice were either orally gavaged or epicutaneously sensitized by repeated application of pigeon pea crude protein extract (CPE) on undamaged areas of skin without any adjuvant; afterwards, both groups were orally challenged with the pigeon pea CPE. Anaphylactic symptoms along with measures of body temperature, MCPT-1, TSLP, pigeon pea-specific IgE and IgG(1), myeloperoxidase (MPO) activity, T(H)2 cytokines, T(H)2 transcription factors (TFs) and filaggrin expression were determined. Mast cell staining, eosinophil levels and histopathological analysis of the skin and intestines were also performed. In the epicutaneously-sensitized mice, elevated levels of specific IgE and IgG(1), as well as of MCPT-1, TSLP, T(H)2 cytokines and TFs, higher anaphylactic scores and histological changes in the skin and intestine were indicative of sensitization ability via both routes in the pigeon pea CPE-treated hosts. Elevated levels of mast cells were observed in both the skin and intestine; increased levels of eosinophils and MPO activity were noted only in the skin. Decreased levels of filaggrin in skin may have played a key role in the skin barrier dysfunction, increasing the chances of sensitization. Therefore, the experimental data support the hypothesis that in addition to oral exposure, skin exposure to food allergens can promote T(H)2-dependent sensitization, IgE-mediated anaphylaxis and intestinal changes after oral challenge. Based on this, an avoidance of cutaneous exposures to allergens might prevent development of food anaphylaxis.}, doi = {10.1080/1547691X.2016.1205159}, author = {Gupta, Rinkesh Kumar and Kumar, Sandeep and Gupta, Kriti and Sharma, Akanksha and Roy, Ruchi and Verma, Alok Kumar and Chaudhari, Bhushan P. and Das, Mukul and Ansari, Irfan Ahmad and Dwivedi, Premendra D.} } @article {43030, title = {Decoding the morphological diversity in two dimensional crystalline porous polymers by core planarity modulation}, journal = {Angewandte Chemie - International Edition}, volume = {55}, year = {2016}, month = {JUN}, pages = {7806-7810}, doi = {10.1002/anie.201600087}, author = {Halder, Arjun and Kandambeth, Sharath and Biswal, Bishnu P. and Kaur, Gagandeep and Roy, Neha Chaki and Addicoat, Matthew A. and Salunke, Jagadish K. and Banerjee, Subhrashis and Vanka, Kumar and Heine, Thomas and Verma, Sandeep and Banerjee, Rahul} } @article {43623, title = {Design and fabrication of mechanically strong nano-matrices of linseed oil based polyesteramide blends}, journal = {Medchemcomm}, volume = {7}, year = {2016}, month = {SEP}, pages = {2299-2308}, abstract = {New nanomaterials of bio-origin with improved mechanical properties are in demand for biomedical application. Therefore, we propose to design and fabricate bioactive nano-matrices with good mechanical strength using polyesteramides derived from linseed oil. Polyesteramide was synthesized from linseed oil and blended with poly(L-lactide) and human serum albumin to enhance the mechanical strength, biodegradation, biocompatibility and hydrophilicity. The various blend solutions with and without drugs (triclosan and metronidazole) were electrospun into non-woven nano-matrices. The morphology of the nano-matrices represented smooth and fine nanofibers with the diameter ranging from 300 to 400 nm. Drug binding efficiency, cytotoxicity, hydrophilicity, thermal and mechanical studies indicated their suitability as biomaterials. To demonstrate their utility, the drug release kinetics and antibacterial properties were evaluated. The metronidazole loaded nano-matrices showed drug release up to 8 h, beyond which no release was observed until 72 h. Antibacterial studies were done using the drugs triclosan and metronidazole. The antibacterial activity of the drug loaded nanofiber mats increased with the increase in drug concentration. The uniqueness of the developed nano-matrices of polyesteramide blends is that their mechanical strength is 3-fold higher than that of the nano-matrices of poly(L-lactide), which is one of the essential features of these nano-matrices to be used as a biomaterial for biomedical applications.}, doi = {10.1039/c6md00380j}, author = {Killi, Naresh and Dhakare, Runali Arjun and Singam, Amarnath and Lokanadham, Metta and Chitikeshi, Harshavardhan and Gundloori, Rathna Venkata Naga} } @article {42942, title = {Design, synthesis and biological evaluation of novel azaspiro analogs of linezolid as antibacterial and antitubercular agents}, journal = {European Journal of Medicinal Chemistry}, volume = {122}, year = {2016}, month = {OCT}, pages = {475-487}, abstract = {

The design, synthesis and antimicrobial evaluation of a novel series of azaspiro analogues of linezolid (1) have been described. Linezolid comprises of a morpholine ring which is known for its metabolism related liabilities. Therefore, the key modification made in the linezolid structure was the replacement of morpholine moiety with its bioisostere, 2-oxa-6-azaspiro[3.3]heptane. Furthermore, the replacement of N-acetyl terminal of 1 with various aromatic or aliphatic functionalities was carried out. The title compounds were evaluated against a panel of Gram-positive and Gram-negative bacteria and Mycobacterium tuberculosis. Subsequent structure-activity relationship (SAR) studies identified several compounds with mixed antibacterial and antitubercular profiles. Compound 22 (IC50 0.72, 0.51, 0.88, 0.49 mu g/mL for Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus subtilis, respectively) exhibited similar antibacterial profile as I. The N-acetyl derivative 18 was similar to 1 in antitubercular profile. Thus, the present study successfully demonstrated the use of azaspiro substructure in the medicinal chemistry of antibacterial and antitubercular agents. (C) 2016 Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.ejmech.2016.07.001}, author = {Gadekar, Pradip K. and Roychowdhury, Abhijit and Kharkar, Prashant S. and Khedkar, Vijay M. and Arkile, Manisha A. and Manek, Hardik and Sarkar, Dhiman and Sharma, Rajiv and Vijayakumar, V. and Sarveswari, S.} } @article { ISI:000368264800002, title = {Detection of clostridium tetani in human clinical samples using tetX specific primers targeting the neurotoxin}, journal = {Journal of Infection and Public Health}, volume = {9}, number = {1}, year = {2016}, month = {JUL}, pages = {105-109}, publisher = {ELSEVIER SCIENCE LONDON}, address = {84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND}, abstract = {

Tetanus resulting from ear injury remains an important health problem, particularly in the developing world. We report the successful detection of Clostridium tetani using tetX specific primers targeting the Cl. tetani neurotoxin. The sample was obtained from an ear discharge of a case of otogenic tetanus in a 2-year-old male child. Based on the culture results of the ear discharge, Gram staining and virulence testing by genotyping, a diagnosis of tetanus was confirmed. This is the first report from India on the successful detection of Cl. tetani in a human clinical sample using tetX specific primers targeting the Cl. tetani neurotoxin. (C) 2015 King Saud Bin Abdulaziz University for Health Sciences. Published by Elsevier Limited. All rights reserved.

}, keywords = {Cl. tetani, Neurotoxin, Otogenic tetanus, Trismus}, issn = {1876-0341}, doi = {10.1016/j.jiph.2015.06.014}, author = {Ganesh, Madhu and Sheikh, Nasira K. and Shah, Pooja and Mehetre, Gajanan T. and Dharne, Mahesh S. and Nagoba, Basavraj S.} } @article { ISI:000372756700003, title = {DFT based assay for tailor-made terpyridine ligand-metal complexation properties}, journal = {Molecular Simulations}, volume = {42}, number = {8}, year = {2016}, month = {MAY}, pages = {618-627}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Electron-rich terpyridine ligand and its metal complexes have a potential to grow as responsive surfaces by adapting their physicochemical properties as a function of environment. The responsiveness is brought about by judicious molecular level designing that is currently hindered due to lack of information and control on terpyridine (TPy)-metal (M) interactions at single molecule level. So far there is no organised understanding on the binding of different metals with TPy ligand and ways to modulate it. Being a large conjugated [GRAPHICS] system, TPy has a large scope to be functionalised with electron exchanging groups to alter its electronic structure and consequently its binding with metal atoms. In first report of such a kind, using density functional theory (DFT), we demonstrate that convenient modulation of TPy-M binding is possible through functionalisation of TPy for [GRAPHICS] , Ru, Fe, Mo and Au. Electron donating groups viz., CH [GRAPHICS] , OCH [GRAPHICS] , C [GRAPHICS] H [GRAPHICS] , NH [GRAPHICS] and electron withdrawing groups viz., CF [GRAPHICS] , COOH, CN and NO [GRAPHICS] are considered for functionalisation of TPy ligand. Significantly, the present work focuses on the functionalisation at 4 and 4 [GRAPHICS] positions of TPy molecule. The role of such a functionalisation in influencing the ligands structure-property correlation is missing in the literature to the best of our knowledge. The present investigation quantifies that by pertinent functionalisation of TPy, TPy-M binding energies can be modified up to [GRAPHICS] 60kcal/mol. Our results reveal that functionalisation leads to a considerable charge redistribution within the TPy-M complex with carbon atoms in pyridine rings functioning as major electron sink/source with a corresponding red/blue shift of [GRAPHICS] stretching frequency. This modifies the red-ox, optical and other chemical properties of TPy-M complexes. In brief, the present report illustrates a way to design ligands such as TPy for diverse applications through tailor-made functionalisation using electronic structure methodology.

}, keywords = {Binding energy, charge redistribution, Density functional theory, functionalisation, Metal organic complexes, metal-ligand interactions, terpyridine}, issn = {0892-7022}, doi = {10.1080/08927022.2015.1067368}, author = {Joshi, Krati and Krishnamurty, Sailaja and Singh, Iksha and Selvaraj, Kaliaperumal} } @article { ISI:000371228200017, title = {Differentiating process performance of various coagulants in removal of congo red and orange G dyes}, journal = {International Journal of Chemical Reactor Engineering}, volume = {14}, number = {1}, year = {2016}, month = {FEB}, pages = {195-211}, publisher = {WALTER DE GRUYTER GMBH}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {

Two refractory azo dyes-Congo red and Orange G, especially at high concentrations were subjected to coagulation with different conventional coagulants and newer formulations developed from Aluminum sulfate, Iron (III) chloride, Aluminium chloride, Poly diallydimethylammonium chloride (Poly DADMAC) and Poly Aluminium Chloride (PAC). The highest COD reduction of 99 \% was obtained with PAC SAB 18 (Powder Grade PAC) for Congo red at pH 4.5 while the color removal of 99 \% was achieved with almost all the coagulants in the present study at specific pH within 3-8. The optimum dose for the iron-based coagulant is 200 mg/L while that of aluminum-based coagulants and PAC is 150-200 mg/L. Results showed that Orange G was more difficult to remove with a maximum COD removal of 65 \% and 35 \% color removal using various formulations. The combinational formulations of inorganic-inorganic and inorganic- organic produced a substantial enhancement in COD and color removal and reduced sludge. PAC-Fe30/70 produces the minimum sludge of 50 mL/g on Congo red. pH in the range 3-9 showed high reductions in COD and color (90-99 \%) for Congo red while jerky rise in COD and color reduction was observed in the case of Orange G after pH 9. An attempt to understand the dye coagulation mechanism has been made based on the specific difference in dye structure and cation speciation.

}, keywords = {coagulation, Congo red, dye removal, Orange G, Wastewater treatment}, issn = {2194-5748}, doi = {10.1515/ijcre-2015-0083}, author = {Prajapati, Kavita and Sorokhaibam, Laxmi Gayatri and Bhandari, Vinay M. and Killedar, D. J. and Ranade, Vivek V.} } @article { ISI:000372848000021, title = {Disruption of native beta-turns: consequence of folding competition between native and orthanilic acid proline-based pseudo beta-turn}, journal = {European Journal of Organic Chemistry}, number = {7}, year = {2016}, month = {MAR}, pages = {1380-1388}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Five tetrapeptides comprising beta-turn-forming elements and a pseudo beta-turn (C9 H-bonding) based on an SAntPro (orthanilic acid - proline) motif were designed and synthesized. Their extensive conformational investigation by single-crystal X-ray crystallography, solution-state 2D NMR spectroscopic, and nOe-restrained MD simulation studies revealed the formation of C14 or C9 folding and disruption of the native beta-turn (C10 H-bonding) architecture. The striking difference between the psi(psi(2)) angle of {\textquoteleft}{\textquoteleft}i + 2{\textquoteright}{\textquoteright} residues of native beta-turn and designed peptides suggest that formation of the native beta-turn is not favored. The results suggest that other turn-forming motifs can dramatically modulate the stability of the native beta-turn structure.

}, keywords = {Conformation analysis, hydrogen bonds, Peptidomimetics, structure elucidation}, issn = {1434-193X}, doi = {10.1002/ejoc.201501558}, author = {Ingole, Tukaram S. and Vijayadas, Kuruppanthara N. and Chaitanya, K. N. and Kotmale, Amol S. and Gawade, Rupesh L. and Gonnade, Rajesh G. and Rajamohanan, P. R. and Sanjayan, Gangadhar J.} } @article {43389, title = {Dynamic, reversible oxidative addition of highly polar bonds to a transition metal}, journal = {Journal of the American Chemical Society}, volume = {138}, year = {2016}, month = {DEC}, pages = {16140-16147}, abstract = {The combination of Pt complexes and indium trihalides leads to compounds that form equilibria in solution between their In X oxidative addition (OA) products (Pt indyl complexes) and their metal-only Lewis pair (MOLP) isomers (LnPt -> InX3). The position of the equilibria can be altered reversibly by changing the solvent, while the equilibria can be reversibly and irreversibly driven toward the MOLP products by addition of further donor ligands. The results mark the first observation of an equilibrium between MOLP and OA isomers, as well as the most polar bond ever observed to undergo reversible oxidative addition to a metal complex. In addition, we present the first structural characterization of MOLP and oxidative addition isomers of the same compound. The relative energies of the MOLP and OA isomers were calculated by DFT methods, and the possibility of solvent-mediated isomerization is discussed.}, doi = {10.1021/jacs.6b10609}, author = {Bertermann, Ruediger and Boehnke, Julian and Braunschweig, Holger and Dewhurst, Rian D. and Kupfer, Thomas and Muessig, Jonas H. and Pentecost, Leanne and Radacki, Krzysztof and Sen, Sakya S. and Vargas, Alfredo} } @article { ISI:000376330800049, title = {Earth abundant iron-rich N-doped graphene based spacer and cavity materials for surface plasmon-coupled emission enhancements}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {19}, year = {2016}, month = {MAY}, pages = {12324-12329}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We demonstrate for the first time the use of Fe based nanoparticles on N-doped graphene as spacer and cavity materials and study their plasmonic effect on the spontaneous emission of a radiating dipole. Fe-C-MF was produced by pyrolizing FeOOH and melamine formaldehyde precursor on graphene, while Fe-C-PH was produced by pyrolizing the Fe-phenanthroline complex on graphene. The use of the Fe-C-MF composite consisting of Fe-rich crystalline phases supported on N-doped graphene presented a spacer material with 116-fold fluorescence enhancements. On the other hand, the Fe-C-PH/Ag based cavity resulted in an 82-fold enhancement in Surface Plasmon-Coupled Emission (SPCE), with high directionality and polarization of Rhodamine 6G (Rh6G) emission owing to Casimir and Purcell effects. The use of a mobile phone as a cost-effective fluorescence detection device in the present work opens up a flexible perspective for the study of different nanomaterials as tunable substrates in cavity mode and spacer applications.

}, keywords = {Casimir effect, fluorescence enhancements, iron carbides, N-doped graphene, Purcell factor, surface plasmon-coupled emission}, issn = {1944-8244}, doi = {10.1021/acsami.5b12038}, author = {Srinivasan, Venkatesh and Vernekar, Dnyanesh and Jaiswal, Garima and Jagadeesan, Dinesh and Ramamurthy, Sai Sathish} } @article { ISI:000381232100028, title = {Effect of different temperature on structural, magnetic and dielectric properties of strontium hexaferrite powder synthesised using aloe vera plant extracts}, journal = {Advanced Science Letters}, volume = {22}, number = {4, SI}, year = {2016}, note = {3rd International Conference on Nanotechnology, Pune, INDIA, OCT 14-15, 2014}, month = {APR}, pages = {869-875}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

M-type SrFe12O19 hexaferrite particles synthesized using the aloe vera plant extract. Biological materials of microorganisms, plants, enzymes have been suggested as an ecological alternative for conventional reagents in physical and chemical methods. In present paper we report effect of temperature on structural, morphology, magnetic and dielectric properties of M-type SrFe12O19 particles synthesised by Green synthesis technique using Aloe vera plant extract. The metal nitrates (Sr and Fe) were dissolved in aloe vera extract solution and then mixture was kept in oil bath at 100 degrees C till it become dry. The obtain dried powder calcined in a wide temperature range, from 450 degrees C to 1150 degrees C for 4 hours in a static air atmosphere. The calcined powders were characterised using various instrumental techniques like Fourier transform infrared spectroscopy (FTIR) X-ray diffractometry (XRD), Scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), Vibrating Sample Magnetometry (VSM), and dielectric measurements. XRD, FTIR, SEM, Magnetic and dielectric measurements were carried out at room temperature. XRD analysis confirms the formation of mono phase of strontium hexaferrite at 1150 degrees C.

}, keywords = {Aloe Vera Extract, green synthesis, M-Type Hexaferrite, Strontium Hexaferrite}, issn = {1936-6612}, doi = {10.1166/asl.2016.6935}, author = {Solanki, Neha and Jotania, R. B. and Khomane, Ramdas B. and Kulkarni, B. D.} } @article {43311, title = {Effect of out-of-plane alkyl group{\textquoteright}s position in dye-sensitized solar cell efficiency: a structure-property relationship utilizing indoline-based unsymmetrical squaraine dyes}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {DEC}, pages = {35353-35367}, abstract = {

Squaraine dyes are promising chromophores to harvest visible and near-infrared (NIR) photons. A series of indoline-based unsymmetrical squaraine (SQ) dyes that contain alkyl chains at sp(3) C- and N- atoms of indoline moieties with a carboxylic acid anchoring group were synthesized. The optical and electrochemical properties of the SQ dyes in solution were nearly identical as there was no change in the D-A-D SQ framework; however, remarkable changes with respect to the power conversion efficiencies (PCE) were observed depending upon the position of alkyl groups in the dye. Introduction of alkyl groups to the indoline unit that was away from anchoring unit were helped in more dye loading with controlled organization of dyes on surface, increased charge transfer resistance, long electron lifetime, and hence higher PCE than that of the corresponding isomer in which the alkyl groups funtionalized indoline unit contains the carboxylic acid anchoring group. Careful analysis of incident photon-to current conversion efficiency (IPCE) profiles indicated the presence of aggregated structure on the TiO2 surface that contributes to the charge injection in the presence of a coadsorbent. A dye-sensitized solar cell (DSSC) device made out of SQ5 was achieved an efficiency of 9.0\%, with an open-circuit potential (V-oc) of 660 mV and short-circuit current density (J(sc)) of 19.82 mA/cm 2, under simulated AM 1.5G illumination (100 mW/cm(2)). The IPCE profile of SQ5 shows an onset near to 750 nm with a good quantum efficiency (\>80\%) in the range of 550-700 nm, indicating the importance of self-organization of dyes on the TiO2 surface for an efficient charge injection. This present investigation revealed the importance of position of alkyl groups in the squaraine-based dyes for the better PCE.

}, doi = {10.1021/acsami.6b12730}, author = {Alagumalai, Ananthan and Fairoos, Munavvar M. K. and Vellimalai, Punitharasu and Sil, Manik Chandra and Nithyanandhan, Jayaraj} } @article { ISI:000362919800035, title = {Effect of process intensifying parameters on the hydrodynamic cavitation based degradation of commercial pesticide (methomyl) in the aqueous solution}, journal = {Ultrasonics Sonochemistry}, volume = {28}, year = {2016}, month = {JAN}, pages = {283-293}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Methomyl, a carbamate pesticide, is classified as a pesticide of category-1 toxicity and hence shows harmful effects on both human and aquatic life. In the present work, the degradation of methomyl has been studied by using hydrodynamic cavitation reactor (HC) and its combination with intensifying agents such as H2O2, fenton reagent and ozone (hybrid processes). Initially, the optimization of operating parameters such pH and inlet pressure to the cavitating device (circular venturi) has been carried out for maximizing the efficacy of hydrodynamic cavitation. Further degradation study of methomyl by the application of hybrid processes was carried out at an optimal pH of 2.5 and the optimal inlet pressure of 5 bar. Significant synergetic effect has been observed in case of all the hybrid processes studied. Synergetic coefficient of 5.8, 13.41 and 47.6 has been obtained by combining hydrodynamic cavitation with H2O2, fenton process and ozone respectively. Efficacy of individual and hybrid processes has also been obtained in terms of energy efficiency and extent of mineralization. HC + Ozone process has proved to be the most effective process having highest synergetic coefficient, energy efficiency and the extent of mineralization. The study has also encompassed the identification of intermediate by-products generated during the degradation and has proposed the probable degradation pathway. It has been conclusively established that hydrodynamic cavitation in the presence of intensifying agents can effectively be used for complete degradation of methomyl. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Advanced Oxidation Processes (AOPs), Hydrodynamic cavitation, Methomyl, Synergetic coefficient, Venturi}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2015.08.004}, author = {Raut-Jadhav, Sunita and Saini, Daulat and Sonawane, Shirish and Pandit, Aniruddha} } @conference { ISI:000375945500074, title = {Effect of sintering temperature and vinca petals extract on structural and magnetic properties of delafossite CuFeO2}, booktitle = {International Conference On Condensed Matter and Applied Physics (ICC 2015)}, series = {AIP Conference Proceedings}, volume = {1728}, year = {2016}, note = {International Conference on Condensed Matter and Applied Physics (ICC), Bikaner, INDIA, OCT 30-31, 2015}, month = {MAY}, pages = {020074}, publisher = {Govt Engn Coll}, organization = {Govt Engn Coll}, address = {2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {

Delathssite CuFeO2, multi ferroic powder was synthesized using Sol-Gel auto combustion method. Influence of vinea flower petals extract on structural and magnetic properly of CuFeO2 were investigated. X-ray analysis of normal samples (synthesized without presence of vinca petals extract) shows formation of hematite and ferrite phases while the sample synthesized in presence of vinca petals extract show only mono phase. The absorption bands in FTIR spectra present between 510-460 cm(-1)in both the samples are due to stretching of Fe-O vibrations. VSM analysis shows that the squareness ratio (Mr/Ms) of the sample prepared using vinca petals extract obtains value of squareness ratio \<0.5, which attributes multi domain formation of samples.

}, isbn = {978-0-7354-1375-7}, issn = {0094-243X}, doi = {10.1063/1.4946125}, author = {Dhruv, Preksha N. and Solanki, Neha and Kulkarni, Shailja and Jotania, R. B.}, editor = {Shekhawat, MS and Bhardwaj, S. and Suthar, B.} } @article { ISI:000381384300030, title = {Effect of total and pair configurational entropy in determining dynamics of supercooled liquids over a range of densities}, journal = {Journal of Chemical Physics}, volume = {145}, number = {3}, year = {2016}, month = {JUL}, pages = {Article Number: 034502}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

In this paper, we present a study of supercooled liquids interacting with the Lennard Jones potential and the corresponding purely repulsive (Weeks-Chandler-Andersen) potential, over a range of densities and temperatures, in order to understand the origin of their different dynamics in spite of their structures being similar. Using the configurational entropy as the thermodynamic marker via the Adam Gibbs relation, we show that the difference in the dynamics of these two systems at low temperatures can be explained from thermodynamics. At higher densities both the thermodynamical and dynamical difference between these model systems decrease, which is quantitatively demonstrated in this paper by calculating different parameters. The study also reveals the origin of the difference in pair entropy despite the similarity in the structure. Although the maximum difference in structure is obtained in the partial radial distribution function of the B type of particles, the rdf of AA pairs and AB pairs gives rise to the differences in the entropy and dynamics. This work supports the observation made in an earlier study [A. Banerjee et al., Phys. Rev. Lett. 113, 225701 (2014)] and shows that they are generic in nature, independent of density. Published by AIP Publishing.

}, issn = {0021-9606}, doi = {10.1063/1.4958627}, author = {Banerjee, Atreyee and Nandi, Manoj Kumar and Sastry, Srikanth and Bhattacharyya, Sarika Maitra} } @article {42853, title = {Effective and selective oxidation of 2-butanol over Mn supported catalyst systems}, journal = {Applied Catalysis A-General}, volume = {525}, year = {2016}, month = {SEP}, pages = {237-246}, abstract = {

Oxidation of alcohols to their corresponding aldehydes/ketones is an important reaction in industries as well as in academic perspective. Selective oxidation (Selox) of alcohols like methanol, ethanol and propanol are well studied in literature; however, alcohols like butanol, pentanol, octanol is a challenging task. Selective oxidation of 2-butanol to methyl ethyl ketone (MEK) is an important reaction due to its wide range of applications. Herein, we demonstrated the selective oxidation of 2-butanol to MEK over Mn supported on different oxide supports. A series of MnxOy-Al2O3 (MA), MnxOy-CeO2 (MC), MnxOy-ZrO2 (MZ) and MnxOy-SiO2 (MS) catalysts were prepared by co-precipitation followed by hydrothermal method. As synthesised catalysts were characterised by various physico-chemical characterisation techniques. It was found that the presence of Mn3O4 species in MA and MZ catalysts is responsible for maximum catalytic activity towards 2-butanol oxidation. MA catalyst conferred a maximum 2-butanol conversion of 51\% and 88\% selectivity towards MEK. XPS analysis revealed that Mn in MA catalyst exists in +2 and +3 oxidation states and responsible for 2-butanol oxidation. Moreover it was found that the acidity of the catalyst also plays an important role in catalytic activity. (C) 2016 Published by Elsevier B.V.

}, doi = {10.1016/j.apcata.2016.08.005}, author = {Prabu, Kandasamy and Prabu, Marimuthu and Venugopal, Ashok Kumar and Venugopalan, Aswathy Thareparambil and Sandilya, W. V. Y. Sai and Gopinath, Chinnakonda S. and Raja, Thirumalaiswamy} } @article { ISI:000373611700015, title = {Effects of the benzoxazole group on green fluorescent protein chromophore crystal structure and solid state photophysics}, journal = {Journal of Materials Chemistry C}, volume = {4}, number = {14}, year = {2016}, month = {DEC}, pages = {2793-2801}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Four benzoxazole-substituted GFP chromophores that differ by the length of their alkyl chain (from C1 to C12) were synthesized. In solution, the four compounds showed identical spectroscopic behavior, emitting blue light with moderate quantum yield. In the solid state, the butyl, pentyl and dodecyl derivatives strongly emitted orange light, while the methyl derivative was only weakly emissive. Based on the X-ray data and DFT calculations, emission in the solid state was explained by the formation of excimers. A very unusual {\textquoteleft}{\textquoteleft}hot-dog{\textquoteright}{\textquoteright}-type excimer was found for the dodecyl derivative, in which two overlapping chromophores are separated by an alkyl chain.

}, issn = {2050-7526}, doi = {10.1039/c5tc03776j}, author = {Ghodbane, Abdelhamid and Fellows, W. Brett and Bright, John R. and Ghosh, Debashree and Saffon, Nathalie and Tolbert, Laren M. and Fery-Forgues, Suzanne and Solntsev, Kyril M.} } @article {43395, title = {Effects of thermal treatment of ZnO-ZnCr2O4 catalyst on the particle size and product selectivity in dehydrocyclization of crude glycerol and ethylenediamine}, journal = {Kinetics and Catalysis}, volume = {57}, year = {2016}, month = {SEP}, pages = {602-609}, abstract = {The ZnO-ZnCr2O4 (Zn-Cr-O) sample obtained by decomposition of Zn-Cr hydrotalcite precursor was subjected to the thermal treatment at different temperatures and the physico-chemical properties of the Zn-Cr-O system were compared with its catalytic behavior in dehydrocyclization of crude glycerol and ethylenediamine (EDA). Upon high temperature treatment of Zn-Cr-O the Cr6+ ions underwent autoreduction to form stable Cr3+ species and the particle size of both ZnO and ZnCr2O4 increased dramatically. Thermal effect did not influence the intermolecular cyclisation of EDA to form pyrazine. By contrast, an inversely proportional dependence was found between the rate of formation of 2-methylpyrazine and the particle size of Zn-Cr-O whereas the rate of 2-pyrazinylmethanol was directly proportional to the particle size.}, doi = {10.1134/S0023158416050177}, author = {Sarkari, Reema and Krishna, Vankudoth and Sudhakar, Medak and Rao, Tumula Venkateshwar and Padmasri, Aytam Hari and Srinivas, Darbha and Venugopal, Akula} } @article { ISI:000378390300022, title = {Efficient access to alkynylated quinalizinones via the gold(I)-catalyzed aminoalkynylation of alkynes}, journal = {Chemical Communications}, volume = {52}, number = {52}, year = {2016}, month = {MAY}, pages = {8152-8155}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The gold-catalyzed aminoalkynylation of alkynes for the synthesis of quinalizinones is reported. For instance, the reaction of pyridinoalkynes with 1-[(triisopropylsilyl)-ethynyl]-1,2-benziodoxol-3(1H)-one (TIPS-EBX) in the presence of a catalytic amount of AuCl at 50 8C afforded alkynylated quinalizinones in 57-87\% yields.

}, issn = {1359-7345}, doi = {10.1039/c6cc03414d}, author = {Shinde, Popat S. and Shaikh, Aslam C. and Patil, Nitin T.} } @article { ISI:000377424600004, title = {Efficient cellular entry of (r-x-r)-type carbamate-plasmid DNA complexes and its implication for noninvasive topical DNA delivery to skin}, journal = {Molecular Pharmaceutics}, volume = {13}, number = {6}, year = {2016}, month = {JUN}, pages = {1779-1790}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Arginine-rich cell penetrating peptides are powerful tools for in vitro as well as in vivo delivery of a wide plethora of biomolecules. However, presence of consecutive arginine residues leads to enhanced amenability for proteolytic degradation as well as steric hindrances for membrane interactions which compromise its bioavailability. In order to overcome these limitations we previously reported a safe and stable octaarginine based oligomer, i.e., (r-x-r)4-carbamate, where the backbone amide linkages were replaced by carbamate linkages and 6-aminohexanoic acid based spacer moieties were incorporated for better flexibility, hydrophobicity, optimal spacing of guanidinium groups, and protection against proteolytic cleavage; resulting in improved transfection efficiency over its amide counterpart. In the present work we have investigated the mechanism behind this enhanced transfection efficiency and, based on our observations, demonstrate how the synergistic effect of rationalized oligomer designing, complex characteristics, and cell type contributes to overall effective intracellular delivery. Our results indicate that the (r-x-r)4-carbamate plasmid DNA complexes primarily utilize lipid raft dependent pathway of cellular entry more than other pathways, and this possibly facilitates their increased entry in the lipid raft rich milieu of skin cells. We also emphasize the utility of oligomer (r-x-r)4-carbamate as an efficient carrier for topical delivery of nucleic acids in skin tissue. This carrier can be utilized for safe, efficient, and noninvasive delivery of therapeutically relevant macromolecular hydrophilic cargo like nucleic acids to skin.

}, keywords = {Cell penetrating peptides, endocytosis, nucleic acid delivery, skin penetration, transfection}, issn = {1543-8384}, doi = {10.1021/acs.molpharmaceut.5b00915}, author = {Vij, Manika and Natarajan, Poornemaa and Yadav, Amit K. and Patil, Kiran M. and Pandey, Tanuja and Gupta, Nidhi and Santhiya, Deenan and Kumar, Vaijayanti A. and Fernandes, Moneesha and Ganguli, Munia} } @inbook {43390, title = {Efficient methods for preparing silicon compounds}, booktitle = {Academic Press}, year = {2016}, chapter = {Efficient methods for preparing silicon compounds}, abstract = {

Efficient Methods for Preparing Silicon Compounds is a unique and valuable handbook for chemists and students involved in advanced studies of preparative chemistry in academia and industry. Organized by the various coordination numbers (from two to six) of the central silicon atom of the reported compounds, this book provides researchers with a handy and immediate reference for any compound or properties needed in the area. Edited by a renowned expert in the field, each chapter explores a different type of compound, thoroughly illustrated with useful schemes and supplemented by additional references. Knowledgeable contributors report on a broad range of compounds on which they have published and which are already used on a broad scale or have the potential to be used in the very near future to develop a new field of research or application in silicon chemistry. Includes contributions and edits from leading experts in the field Includes detailed chemical schemes and useful references for each preparative method Organized by the coordination numbers of the central silicon atom for each compound for easy navigation Serves as a go-to primer for researchers in novel compositions of silicon matter.

}, author = {Sen, Sakya S. and Roesky, H. W.} } @article { ISI:000373519600016, title = {Efficient strategy for the construction of both enantiomers of the octahydropyrroloquinolinone ring system: total synthesis of (+)-aspidospermidine}, journal = {Organic Letters}, volume = {18}, number = {7}, year = {2016}, month = {APR}, pages = {1558-1561}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An efficient and highly stereoselective intramolecular [3 + 2] cycloaddition of nonstabilized azomethine ylide generated from a designed bicyclic aminal precursor is reported for the synthesis of both (-)- and (+)-octahy-dropyrroloquinolinone. One of the enantiomers is further advanced to accomplish the total synthesis of (+)-aspidospermidine.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b00374}, author = {Pandey, Ganesh and Burugu, Shiva Kumar and Singh, Pushpendra} } @article {43638, title = {Electrocatalytic water oxidation by a molecular cobalt complex through a high valent cobalt oxo intermediate}, journal = {Chemical Communications}, volume = {52}, year = {2016}, month = {AUG}, pages = {11787-11790}, abstract = {Biuret-modified tetraamidomacrocyclic cobalt complex [Co-III-bTAML]- is shown to catalyze electrochemical water oxidation at basic pH leading to the formation of O-2. Electrochemical and spectroscopic studies indicate a high valent cobalt oxo intermediate isoelectronic to Co-V(O) as the active oxidant. The kinetic isotope effect of 8.63 indicates an atom proton transfer mechanism.}, doi = {10.1039/c6cc05773j}, author = {Das, Debasree and Pattanayak, Santanu and Singh, Kundan K. and Garai, Bikash and Sen Gupta, Sayam} } @article { ISI:000371103000013, title = {Electron detachment and subsequent structural changes of water clusters}, journal = {Journal of Physical Chemistry A}, volume = {120}, number = {7}, year = {2016}, month = {FEB}, pages = {1065-1073}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A cost-effective equation of motion coupled cluster method, EOMIP-CCSD(2), is used to investigate vertical and adiabatic ionization potential as well as ionization-induced structural changes of water clusters and compared with CCSD(T), CASPT2, and MP2 methods. The moderate N-5 scaling and low storage requirement yields EOMIP-CCSD (2) calculation feasible even for reasonably large molecules and clusters with accuracy comparable to CCSD(T) method at much cheaper computational cost. Our calculations shed light on the authenticity of EOMIP-CCSD(2) results and establish a reliable method to study of ionization energy of molecular clusters. We have further investigated the performance of several classes of DFT functionals for ionization energies of water clusters to benchmark the results and to get a reliable functionals for the same.

}, issn = {1089-5639}, doi = {10.1021/acs.jpca.5b09389}, author = {Das, Susanta and Sengupta, Turbasu and Dutta, Achintya Kumar and Pal, Sourav} } @article { ISI:000377203300030, title = {Electronic structure and properties of layered gallium telluride}, journal = {Chemical Physics Letters}, volume = {651}, year = {2016}, month = {MAY}, pages = {148-154}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Layer-dependent electronic structure and properties of gallium monochalcogenides, GaX where X=S, Se, Te, have been investigated using first-principles calculations based on various functionals, with a motivation to assess their use in photocatalytic water splitting. Since hydrogen evolution by water splitting using visible light provides a promising way for solar energy conversion, both theoretical and experimental studies have been carried out on the photochemical hydrogen evolution by GaTe. We also present the Raman spectra of GaTe examined by both theory and experiment. (C) 2016 Elsevier B.V. All rights reserved.

}, issn = {0009-2614}, doi = {10.1016/j.cplett.2016.03.045}, author = {Shenoy, U. Sandhya and Gupta, Uttam and Narang, Deepa S. and Late, Dattatray J. and Waghmare, Umesh V. and Rao, C. N. R.} } @article { ISI:000371239900016, title = {Enantioselective modular total synthesis of macrolides Sch725674 and C-4-epi-Sch725674}, journal = {European Journal of Organic Chemistry}, number = {6}, year = {2016}, month = {FEB}, pages = {1215-1226}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

The convergent total synthesis of Sch725674 has been accomplished by starting from (R)-1,2-epoxyheptane and assembling five modules in a highly stereoselective manner to give the final product in 6.6\% overall yield. The same strategy was extended to the synthesis of its C-4 epimer. Key reactions of the synthetic pathway include a Jacobsen hydrolytic kinetic resolution of an epoxide followed by its regioselective opening through a Yamaguchi-Hirao alkynylation, and ring-closing metathesis reaction to furnish the unique 14-membered ring macrolactone. In addition, the influence of protecting groups on the efficiency of the ring-closing metathesis (RCM) macrocyclization has been studied to maximize its yields.

}, keywords = {Asymmetric synthesis, Hydrolytic kinetic resolution, Macrocycles, Metathesis, Natural products}, issn = {1434-193X}, doi = {10.1002/ejoc.201501531}, author = {Sharma, Brijesh M. and Gontala, Arjun and Kumar, Pradeep} } @article {43578, title = {Engineering and in vitro evaluation of acid labile cholesterol tethered MG132 nanoparticle fortargeting ubiquitin-proteasome system in cancer}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {OCT}, pages = {5099-5106}, abstract = {In recent years, proteasome has evolved as one of the important alternative targets in cancer chemotherapy. However, selective targeting of proteasome system in cancer cells still remains a major challenge. To address this, a potent peptide based proteasome inhibitor MG132 was chemically conjugated with biocompatible-biodegradable cholesterol by acid cleavable hydrazone linkage. Spherical nanoparticles (MG132-NPs) were engineered from cholesterol-MG132 conjugate. Increased amount of free MG132 was released from these nanoparticles in acidic environment compared to physiological milieu in a slow and controlled manner. These MG132-NPs were taken up by breast cancer MCF7 cells into lysosomes within 6 h. Proteasome system was inhibited by these MG132-NPs leading to stabilization of beta-catenin, cyclin A and cyclin B in HEK-293T cells. Interestingly, MG132-NPs induced much improved cell death in drug resistant MDA-MB-231 cells with insignificant toxicity in healthy cells (HEK293 and L929) even in higher concentration.}, doi = {10.1002/slct.201601117}, author = {Ghosh, Chandramouli and Gupta, Neha and More, Piyush and Sengupta, Poulomi and Mallick, Abhik and Santra, Manas Kumar and Basu, Sudipta} } @article {43441, title = {Engineering crystals that facilitate the acyl-transfer reaction: insight from a comparison of the crystal structures of myo-inositol-1,3,5-orthoformate-derived benzoates and carbonates}, journal = {ACTA Crystallographica Section C-Structural Chemistry}, volume = {72}, year = {2016}, month = {NOV}, pages = {875-+}, abstract = {Minor variations in the molecular structure of constituent molecules of reactive crystals often yield crystals with significantly different properties due to altered modes of molecular association in the solid state. Hence, these studies could provide a better understanding of the complex chemical processes occurring in the crystalline state. However, reactions that proceed efficiently in molecular crystals are only a small fraction of the reactions that are known to proceed (with comparable efficiency) in the solution state. Hence, for consistent progress in this area of research, investigation of newer reactive molecular crystals which support different kinds of reactions and their related systems is essential. The crystal structures and acyl-transfer reactivity of a myo-inositol-1,3,5-orthoformate-derived dibenzoate and its carbonate (4-O-benzoyl-2-O-phenoxycarbonyl-myo-inositol 1,3,5-orthoformate, C21H18O9) and thiocarbonate (4-O-benzoyl-2-O-phenoxythiocarbonyl-myo-inositol 1,3,5-orthoformate, C21H18O8S) analogs are compared with the aim of understanding the relationship between crystal structure and acyl-transfer reactivity. Insertion of an O atom in the acyl (or thioacyl) group of an ester gives the corresponding carbonate (or thiocarbonate). This seemingly minor change in molecular structure results in a considerable change in the packing of the molecules in the crystals of myoinositol-1,3,5-orthoformate-derived benzoates and the corresponding carbonates. These differences result in a lack of intermolecular acyl-transfer reactivity in crystals of myo-inositol-1,3,5-orthoformate-derived carbonates. Hence, this study illustrates the sensitivity of the relative orientation of molecules, their packing and ensuing changes in the reactivity of resulting crystals to minor changes in molecular structure.}, doi = {10.1107/S205322961601603X}, author = {Tamboli, Majid I. and Krishanaswamy, Shobhana and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article {43336, title = {Enhanced electrochemical performance of polypyrrole coated MoS2 nanocomposites as electrode material for supercapacitor application}, journal = {Journal of Electroanalytical Chemistry}, volume = {782}, year = {2016}, month = {DEC}, pages = {278-287}, abstract = {Binary nanocomposites of polypyrrole (PPY) and Molybdenum disulfide (MoS2), with varying weight\% of MoS2 viz. MP1, MP2, and MP3 corresponding to 12.5, 25, and 50\% of MoS2 respectively, were prepared via. in-situ polymerization method. X-ray diffraction (XRD), field emission scanning microscopy (FESEM), and transmission electron microscopy (TEM) were employed to study the structure and morphology of the prepared nanocomposites. The electrochemical properties were studied by cyclic voltammetry (CV), galvanostatic charge-discharge (GCD), and electrochemical impedance spectroscopy (EIS) techniques. The nanocomposite electrode material MP2 reached a specific capacitance of 400 F/g at the current density 1 A/g which was higher than that of pure PPY and the other two nanocomposites viz. MP1 and MP3 having different compositions of MoS2 and PPY than that of MP2. It was noteworthy that the maximum capacitance value was obtained only for an optimum dose of MoS2 (MP2 in this case with 25\% of MoS2) and any deviation from which ultimately degraded the capacitive performance of the nanocomposite electrode material. This could be attributed to the occurrence of maximum interaction between MoS2 and PPY in the nanocomposite only at a particular concentration of its host materials. The results showed that the specific capacitance of MP2 nanocomposite declined by 7.2\% after 5000 cycles. Further, MP2 nanocomposite electrode showed much higher energy density (8.88 Wh/kg) as well as power density (2286 W/kg) which were higher than that shown by PPY electrode. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jelechem.2016.10.050}, author = {Thakur, Anukul K. and Choudhary, Ram Bilash and Majumder, Mandira and Gupta, Govind and Shelke, Manjusha V.} } @article { ISI:000377811100004, title = {Enhanced field emission behavior of layered MoSe2}, journal = {Materials Research Express}, volume = {3}, number = {3}, year = {2016}, month = {MAR}, pages = {Article Number: 035003}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Herein, we report one step facile chemical vapor deposition method for synthesis of single-layer MoSe2 nanosheets with average lateral dimension similar to 60 mu m on 300 nm SiO2/Si and n-type silicon substrates and field emission investigation of MoSe2/Si at the base pressure of similar to 1 x 10(-8) mbar. The morphological and structural analyses of the as-deposited single-layer MoSe2 nanosheets were carried out using an optical microscopy, Raman spectroscopy and atomic force microscopy. Furthermore, the values of turn-on and threshold fields required to extract an emission current densities of 1 and 10 mu A cm(-2), are found to be similar to 1.9 and similar to 2.3 V mu m(-1), respectively. Interestingly, the MoSe2 nanosheet emitter delivers maximum field emission current density of similar to 1.5 mA cm(-2) at a relatively lower applied electric field of similar to 3.9 V mu m(-1). The long term operational current stability recorded at the preset values of 35 mu A over 3 hr duration and is found to be very good. The observed results demonstrates that the layered MoSe2 nanosheet based field emitter can open up many opportunities for their potential application as an electron source in flat panel display, transmission electron microscope, and x-ray generation. Thus, the facile one step synthesis approach and robust nature of single-layer MoSe2 nanosheets emitter can provide prospects for the future development of practical electron sources.

}, keywords = {atomically thin nanosheets, chemical vapor deposition, field emission, layered MoSe2}, issn = {2053-1591}, doi = {10.1088/2053-1591/3/3/035003}, author = {Suryawanshi, Sachin R. and Pawbake, Amit S. and Pawar, Mahendra S. and Jadkar, Sandesh R. and More, Mahendra A. and Late, Dattatray J.} } @article {42831, title = {Enhancement in rate of photocatalysis upon catalyst recycling}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {OCT}, pages = {Article Number: 35075}, abstract = {

Recyclability is an important aspect for heterogeneous photo-catalysts. Ease of recovery and stability of the photo-catalyst in terms of efficiency over the number of cycles are highly desired and in fact it is ideal if the efficiency is constant and it should not decrease marginally with each cycle. Presented here is a seminal observation in which the photocatalytic activity is shown to improve with increasing number of catalytic cycles (it is 1.7 times better after the 1st cycle and 3.1 times better after the 2nd cycle). Specifically, nanorods of pure TiO2 and TiO2 doped with controlled amount of tungsten have been used to degrade two model pollutants: Phenol and Rhodamine B under exclusive visible light illumination. It was found that, in case of 1 mol.\% W incorporation, rate of photocatalysis and also the range of visible light absorption of the photocatalyst increased after the photocatalysis as compared to before photocatalysis. This aspect is unique for doped TiO2 and hence provides an intriguing way to mitigate low photoactivity.

}, doi = {10.1038/srep35075}, author = {Sorathiya, Kalpesh and Mishra, Biswajit and Kalarikkal, Abhishek and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S. and Khushalani, Deepa} } @article {43571, title = {ESP promoted "on water" click reaction: a highly economic and sustainable protocol for 1,4-disubstituted-1H-1,2,3-triazole synthesis at room temperature}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {NOV}, pages = {6016-6019}, abstract = {A highly economic and green protocol for azide-alkyne cyclo-addition reactions in water has been developed which offers a mild, practical and inexpensive basic alternative to the conventional protocols. The protocol uses readily available, considered as waste material, Egg Shell Powder (ESP) as an additive for CuAAC reaction. The reactions proceeded in water in presence of this basic waste material derived additive under {\textquoteright}external base/ligand/reducing agent/organic solvent{\textquoteright} free conditions affording good to excellent yields of the desired products.}, doi = {10.1002/slct.201601267}, author = {Konwar, Manashjyoti and Ali, Abdul A. and Chetia, Mitali and Saikia, Prakash J. and Khupse, Nageshwar D. and Sarma, Diganta} } @article {42946, title = {[Et3NH][HSO4] catalyzed efficient synthesis of 5-arylidene-rhodanine conjugates and their antitubercular activity}, journal = {Research on Chemical Intermediates}, volume = {42}, year = {2016}, month = {AUG}, pages = {6607-6626}, abstract = {

We have described a highly efficient, safer protocol for the synthesis of 5-arylidene-rhodanine conjugates catalyzed by Bronsted acidic ionic liquid [Et3NH][HSO4] in excellent yields. The protocol offers cost-effective, environmentally benign, solvent-free conditions and recycle-reuse of the catalyst. The synthesized 5-arylidene-rhodanine conjugates were characterized on the basis of (1) H NMR, C-13 NMR and HRMS spectral data. A series of 5-arylidene-rhodanine derivatives 3a-h, 4a-h were synthesized and evaluated for their in vitro antitubercular activity against dormant Mycobacterium tuberculosis H37Ra and M. bovis BCG strains. Moreover, compounds 3a, 3b, 3e, 3f, 3g, 3h and 4f exhibited good antitubercular activity and were also evaluated for anti-proliferative activity against MCF-7, A549 and HCT116 cell lines using modified MTT assay and found to be noncytotoxic. Compounds 3a-h and 4f were further screened for their antibacterial activity against four bacteria strains to assess their selectivity towards M. tuberculosis. Furthermore, in silico ADME prediction of all the tested compounds followed the criteria for orally active drug and, therefore, these compounds may have a good potential for eventual development as oral agents.

}, doi = {10.1007/s11164-016-2484-0}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Nawale, Laxman and Yeware, Amar and Sarkar, Dhiman and Shingate, Bapurao B.} } @article {43436, title = {Evaluating the anticancer activity and nanoparticulate nature of homeopathic preparations of Terminalia chebula}, journal = {Homeopathy}, volume = {105}, year = {2016}, month = {NOV}, pages = {318-326}, abstract = {Background: Breast cancer is the most common cancer diagnosed among women and is the second leading cause of cancer death. Homeopathic medicines are part of the alternative medicines that are given as a supportive therapy in breast cancer. The objective of this study was to investigate the anticancer activity of commercially available homeopathic preparations of Terminalia chebula (TC) and evaluate their nanoparticulate nature. Methods: Mother tincture (MT) and other homeopathic preparations (3X, 6C and 30C) of TC were tested for their effect on the viability of breast cancer (MDAMB231 and MCF7) and non-cancerous (HEK 293) cell lines by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. Cell growth assay was performed to analyze the effect of the different potencies on the growth kinetics of breast cancer cells. MT and 6C were evaluated for the presence of nanoparticles by using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Results: MT decreased the viability of breast cancer (MDAMB231 and MCF7) and non-cancerous (HEK 293) cells. However, the other potencies (3X, 6C and 30C) decreased the viability of only breast cancer cells without affecting the viability of the non-cancerous cells. All the potencies, MT, 3X, 6C and 30C, reduced growth kinetics of breast cancer cells, more specifically at 1:10 dilution at 24, 48 and 72 h. Under SEM, MT appeared as a mesh-like structure whereas under TEM, it showed presence of nanoclusters. On the other hand, 6C potency contained 20 nm sized nanoparticles. Conclusion: The current study reports the anticancer activity of homeopathic preparations of TC against breast cancer and reveals their nanoparticulate nature. These preliminary results warrant further mechanistic studies at both in vitro and in vivo levels to evaluate the potential of TC as nanomedicine in breast cancer.}, doi = {10.1016/j.homp.2016.02.004}, author = {Wani, Kirtee and Shah, Nilesh and Prabhune, Asmita and Jadhav, Arun and Ranjekar, Prabhakar and Kaul-Ghanekar, Ruchika} } @article {43434, title = {Evaluation of uttroside B, a saponin from Solanum nigrum Linn, as a promising chemotherapeutic agent against hepatocellular carcinoma}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {NOV}, pages = {Article Number: 36318}, abstract = {We report, for the first time, the remarkable efficacy of uttroside B, a potent saponin from Solanum nigrum Linn, against liver cancer. The compound has been isolated and characterized from the leaves of Solanum nigrum Linn, a plant widely used in traditional medicine and is a rich resource of several anticancer molecules. Uttroside B, that comprises of beta-D-glucopyranosyl unit at C-26 of the furostanol and beta-lycotetraosyl unit at C-3, is ten times more cytotoxic to the liver cancer cell line, HepG2 (IC50: 0.5 mu M) than sorafenib (IC50: 5.8 mu M), the only FDA-approved drug for liver cancer. Moreover, it induces cytotoxicity in all liver cancer cell lines, irrespective of their HBV status, while being non-toxic to normal immortalized hepatocytes. It induces apoptosis in HepG2 cells by down-regulating mainly the activation of MAPK and mTOR pathways. The drastic reduction in HepG2-xenograft tumor size achieved by uttroside B in NOD-SCID mice and substantiation of its biological safety through both acute and chronic toxicity studies in Swiss albino mice warrants clinical validation of the molecule against hepatic cancer, for which, the chemotherapeutic armamentarium currently has limited weapons.}, doi = {10.1038/srep36318}, author = {Nath, Lekshmi R. and Gorantla, Jaggaiah N. and Thulasidasan, Arun Kumar T. and Vijayakurup, Vinod and Shah, Shabna and Anwer, Shabna and Joseph, Sophia M. and Antony, Jayesh and Veena, Kollery Suresh and Sundaram, Sankar and Marelli, Udaya K. and Lankalapalli, Ravi S. and Anto, Ruby John} } @article { ISI:000382207700055, title = {Exfoliated 2D black phosphorus nanosheets: field emission studies}, journal = {Journal of Vacuum Science \& Technology B}, volume = {34}, number = {4}, year = {2016}, month = {JUL}, pages = {041803}, publisher = {A V S AMER INST PHYSICS}, address = {STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA}, abstract = {

A few layer black phosphorus (BP) nanosheets are obtained by micromechanical cleavage from a bulk BP crystal. In a typical exfoliation procedure, a layer of BP is peeled off from bulk crystal with the help of Scotch tape and transferred onto SiO2/Si and pristine Si substrates. The morphological and structural analyses of the samples were carried out using an optical microscopy, a transmission electron microscopy, and a Raman spectroscopy. Field emission investigations on a few layered BP nanosheets on Si substrate were carried out at the base pressure of 1 x 10(-8) mbar. The turn-on value, corresponding to emission current density of similar to 1 mu A/cm(2), is found to be similar to 5.1V/mu m for BP nanosheets/Si emitter and high field enhancement factor (beta) similar to 1164, attributed to atomically thin/sharp edges of the BP nanosheets. The emission current shows good stability at a preset value of similar to 5 mu A over a period of more than 8 h. The present results demonstrate the potential of the mechanically exfoliated BP nanosheets/Si field emitter for the development of practical electron sources. (C) 2016 American Vacuum Society.

}, issn = {1071-1023}, doi = {10.1116/1.4945433}, author = {Suryawanshi, Sachin R. and More, Mahendra A. and Late, Dattatray J.} } @article {42693, title = {Expedient cobalt-catalyzed C{\textendash}H alkynylation of (enantiopure) benzylamines}, journal = {Organic Letters}, volume = {18}, year = {2016}, month = {OCT}, pages = {5252-5255}, abstract = {

A unified strategy for cobalt-catalyzed ortho-C-H bond alkynylation of benzylamines is reported. Simple, commercially available CoBr2 was used as a cobalt source. The developed alkynylation strategy is robust and efficient and has a broad substrate scope including 1 degrees, 2 degrees, and 3 degrees benzylamines. The mechanistic study shows that C-H bond cleavage is reversible, and the kinetic study illustrates that the rate of reaction depends solely on the catalyst.

}, keywords = {Terminal Alkynes; Bond Activation; Directed Functionalization;Aminoquinoline Benzamides; Ortho-C(Sp(2))-H Bonds; Mechanistic Insights; Selective Access; Carbon-Hydrogen; Nickel; Annulation}, doi = {10.1021/acs.orglett.6b02549}, author = {Landge, Vinod Gokulkrishna and Midya, Siba Prasad and Rana, Jagannath and Shinde, Dinesh R. and Balaraman, Ekambaram} } @article { ISI:000379484200023, title = {Exploration of magnetically separable Ag@AgxNiy core/graded-alloy-shell nanostructures}, journal = {Chemical Communications}, volume = {52}, number = {56}, year = {2016}, month = {JUN}, pages = {8737-8740}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We report novel bimetallic Ag@AgxNiy core@graded-alloy-shell nanoparticles (CGAS NPs), i.e. single Ag core NPs shelled by an AgxNiy graded alloy and stabilized by the CTAB surfactant employing a novel synthesis method. These Ag@AgxNiy CGAS NPs demonstrated superior catalytic performance in the synthesis of biologically active 3-amino alkylated indoles under green conditions.

}, issn = {1359-7345}, doi = {10.1039/c6cc04087j}, author = {Kumar, Mukesh and Soni, Kiran and Satpati, Biswarup and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article { ISI:000379991000011, title = {Extension of the effective fragment potential method to macromolecules}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {27}, year = {2016}, month = {JUL}, pages = {6562-6574}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The effective fragment potential (EFP) approach, which can be described as a nonempirical polarizable force field, affords an accurate first-principles treatment of noncovalent interactions in extended systems. EFP can also describe the effect of the environment on the electronic properties (e.g., electronic excitation energies and ionization and electron-attachment energies) of a subsystem via the QM/EFP (quantum mechanics/EFP) polarizable embedding scheme. The original formulation of the method assumes that the system can be separated, without breaking covalent bonds, into closed-shell fragments, such as solvent and solute molecules. Here, we present an extension of the EFP method to macromolecules (mEFP). Several schemes for breaking a large molecule into small fragments described by EFP are presented and benchmarked. We focus on the electronic properties of molecules embedded into a protein environment and consider ionization, electron-attachment, and excitation energies (single-point calculations only). The model systems include chromophores of green and red fluorescent proteins surrounded by several nearby amino acid residues and phenolate bound to the T4 lysozyme. All mEFP schemes show robust performance and accurately reproduce the reference full QM calculations. For further applications of mEFP, we recommend either the scheme in which the peptide is cut along the C-alpha-C bond, giving rise to one fragment per amino acid, or the scheme with two cuts per amino acid, along the C-alpha-C and C-alpha-N bonds. While using these fragmentation schemes, the errors in solvatochromic shifts in electronic energy differences (excitation, ionization, electron detachment, or electron-attachment) do not exceed 0.1 eV. The largest error of QM/mEFP against QM/EFP (no fragmentation of the EFP part) is 0.06 eV (in most cases, the errors are 0.01-0.02 eV). The errors in the QM/molecular mechanics calculations with standard point charges can be as large as 0.3 eV.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.6b04166}, author = {Gurunathan, Pradeep Kumar and Acharya, Atanu and Ghosh, Debashree and Kosenkov, Dmytro and Kaliman, Ilya and Shao, Yihan and Krylov, Anna I. and Slipchenko, Lyudmila V.} } @article { ISI:000378295200030, title = {Facile access to a Ge(II) dication stabilized by isocyanides}, journal = {Chemical Communications}, volume = {52}, number = {50}, year = {2016}, month = {MAY}, pages = {7890-7892}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we introduce isocyanide as a ligand in main group chemistry and describe the facile isolation of a Ge(II) dication. The reaction of 2,6-dimethylphenylisocyanide with GeCl2 leads to the formation of a Ge(II) dication with two [GeCl3](-) molecules as counter anions. The dicationic Ge(II) center is bound to four isocyanide ligands and also holds a lone pair of electrons. DFT calculations reveal that the dication is stabilized only by sigma-donation from the four isocyanide ligands. Natural population analysis gives a charge of +0.74 on the Ge(II) center, indicating that the positive charge is shared by the isocyanide substituents.

}, issn = {1359-7345}, doi = {10.1039/c6cc03789e}, author = {Swamy, V. S. V. S. N. and Yadav, Sandeep and Pal, Shiv and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {43604, title = {Facile approach towards fabrication of GdB6-ZnO heteroarchitecture as high currentdensity cold cathode}, journal = {Chemistryselect}, volume = {1}, year = {2016}, month = {AUG}, pages = {3723-3729}, abstract = {Three dimensional (3D) GdB6-ZnO heteroarchitecture comprised of thin coating of GdB6 on self aligned ZnO urchins with pointed apex has been synthesized employing optimized Pulsed Laser Deposition (PLD) technique. The self aligned ZnO urchins on Zn substrate were obtained using hydrothermal route. The as-synthesized GdB6-ZnO heteroarchitecture was characterized using XRD, SEM, TEM XPS, and UPS in order to reveal its structural, morphological, chemical, and electronic properties. Interestingly, the GdB6-ZnO heteroarchitecture exhibits superior field emission (FE) behviour in contrast to the pristine ZnO urchins envisaged by extraction of very high emission current density of similar to 4.6 mA/cm(2) at an applied field of similar to 4.5 V/mm, against similar to 1.5 mA/cm(2) at an applied field of similar to 5.6 V/mm from the pristine ZnO urchins emitter. Furthermore, the GdB6-ZnOemitter exhibits good emission stability at pre-set value of similar to 5 mA over duration of more than 3 hours. The superior FE behaviour of the GdB6-ZnO is attributed to low work-function of GdB6 and presence of nanometric protrusions on the emitter surface, further enhancing the aspect ratio provided by the ZnO urchins. The present results demonstrate a facile approach towards fabrication of high current density cold cathodes due to rare earth hexaborides via designing hetero-architectures comprised of their well adherent ultrathin coating on high aspect ratio metal oxide nanostructures.}, doi = {10.1002/slct.201600956}, author = {Suryawanshi, Sachin R. and Mistari, Chetan D. and Singh, Anil K. and Phase, Deodatta M. and Late, Dattatray J. and Sinha, Sucharita and More, Mahendra A.} } @article { ISI:000377604100021, title = {Facile green synthesis of BCN nanosheets as high-performance electrode material for electrochemical energy storage}, journal = {Chemistry-A European Journal}, volume = {22}, number = {21}, year = {2016}, month = {MAY}, pages = {7134-7140}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Two-dimensional hexagonal boron carbon nitride (BCN) nanosheets (NSs) were synthesized by new approach in which a mixture of glucose and an adduct of boric acid (H3BO3) and urea (NH2CONH2) is heated at 900 degrees C. The method is green, scalable and gives a high yield of BCN NSs with average size of about 1 mm and thickness of about 13 nm. Structural characterization of the as-synthesized material was carried out by several techniques, and its energy-storage properties were evaluated electrochemically. The material showed excellent capacitive behaviour with a specific capacitance as high as 244 F g(-1) at a current density of 1 A g(-1). The material retains up to 96\% of its initial capacity after 3000 cycles at a current density of 5 A g(-1).

}, keywords = {boron, Doping, Electrochemistry, Nanoparticles, nitrides}, issn = {0947-6539}, doi = {10.1002/chem.201505225}, author = {Karbhal, Indrapal and Devarapalli, Rami Reddy and Debgupta, Joyashish and Pillai, Vijayamohanan K. and Ajayan, Pulickel M. and Shelke, Manjusha V.} } @article { ISI:000371344600012, title = {Facile synthesis of 1,3-thiazolidin-4-ones as antitubercular agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {7}, year = {2016}, month = {APR}, pages = {1704-1708}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

We have developed, highly efficient, one-pot, solvent-free, [Et3NH][HSO4] catalyzed multicomponent reaction protocol for the synthesis of 1,3-thiazolidin-4-ones in excellent yields. For the first time, the 1,3-thiazolidin-4-ones were evaluated in vitro for their antimycobacterial activity against Mycobacterium tuberculosis dormant MTB H37Ra and Mycobacterium bovis BCG strains. Among the synthesized basic 1,3-thiazolidin-4-ones, particularly the compounds 4c, 4d, 4e, 4f, 4h, 4i and 4j displays promising antitubercular activity along with no significant cytotoxicity against the cell lines MCF-7, A549 and HCT-116. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Antitubercular, Cytotoxicity, Green protocol, Multicomponent reaction}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.02.056}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Arkile, Manisha A. and Yeware, Amar and Sarkar, Dhiman and Shingate, Bapurao B.} } @article { ISI:000373993600011, title = {Facile synthesis of new N-sulfonamidyl-4-thiazolidinone derivatives and their biological evaluation}, journal = {New Journal of Chemistry}, volume = {40}, number = {4}, year = {2016}, month = {FEB}, pages = {3047-3058}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The one-pot three-component syntheses of new N-sulfonamide-thiazolidin-4-one derivatives were carried out in excellent yield using [HDBU][HSO4] as an ionic liquid under solvent-free conditions. The newly synthesized compounds were screened against fungal strains and a number of compounds were seen to display excellent antifungal activity. In addition, the synthesized compounds were screened for their scavenging activity of the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical and showed very good antioxidant activity. Finally, theoretical predictions derived from molecular docking studies against the potential target sterol 14 alpha-demethylase (CYP51) helped establish a link between the observed biological activity and the binding affinity, thereby providing insights into the specific bonding and non-bonding interactions governing the activity.

}, issn = {1144-0546}, doi = {10.1039/c6nj00021e}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Khedkar, Vijay M. and Shingate, Bapurao B.} } @article {45858, title = {Fate of inorganic nanoparticles in agriculture}, journal = {Advanced Materials Letters}, volume = {7}, year = {2016}, month = {JAN}, pages = {3-12}, type = {Review}, abstract = {

In modern world, engineered nanoparticles (ENPs) are increasingly becoming an important component of daily life. They are becoming an integral part of a wide range of man-made products including electronics, paints, biomedical products, sunscreens, clothing, automobiles, etc. Rapid progress in the manufacturing of ENPs and the subsequent increase in its commercial applications always have had an impact on agriculture due to the exposure of living things to these ENPs. Also, human beings are directly dependent on the plants because of their nutritional values. Hence, the impact of nanoparticles on agricultural soil and plants is always of topical interest. It is imperative to be aware of the effects of nanoparticles on soil as well as on the soil ecosystem it supports especially the soil microbes and plants; or more specifically whether they have an influence on the agricultural yield and agri-economy. It is also important to study the effects of man-made nanomaterials on the properties of agricultural soil. This work reviews some of the key features of the impact of ENPs on the environment and the fate of ENPs in agriculture.

}, doi = {10.5185/amlett.2016.6048}, author = {Phogat, N. and Khan, S. A. and Shankar, S. and Ansary, A. A. and Uddin, I.} } @article { ISI:000369516100068, title = {Field emission properties of highly ordered low-aspect ratio carbon nanocup arrays}, journal = {RSC Advances}, volume = {6}, number = {12}, year = {2016}, month = {JAN}, pages = {9932-9939}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we design and develop a field emission device utilizing highly porous carbon nanocup (CNC) films. These three-dimensional (3D) low-aspect ratio CNC structures were fabricated by a combination of anodization and chemical vapor deposition techniques. The low turn-on fields of 2.30 V mu m(-1) were observed to draw an emission current density of 1 mu A cm(-2) and a maximum emission current density of similar to 1.802 mA cm(-2) drawn at an applied field of similar to 4.20 V mu m(-1). The enhanced field emission behavior observed from the CNC films is attributed to an excellent field enhancement factor of 1645. The observed field emission properties of CNC arrays are attributed to a synergistic combination of high aspect ratio, nano-sized radius of curvature, highly organized distribution of the emitters over the whole area of specimen and lower screening effect of the CNC arrays. These observations shed light on the effect of the stacking carbon layers of CNC on their electronic properties and open up possibilities to integrate new morphologies of graphitic carbon in nanotechnology applications. Thus, the low turn on field, high emission current density and better emission current stability enable CNC based future field emission applications.

}, issn = {2046-2069}, doi = {10.1039/c5ra25682h}, author = {Gupta, Bipin Kumar and Kedawat, Garima and Kumar, Pawan and Singh, Satbir and Suryawanshi, Sachin R. and Agrawal, Neetu and Gupta, Govind and Kim, Ah Ra and Gupta, R. K. and More, Mahendra A. and Late, Dattatray J. and Hahm, Myung Gwan} } @article { ISI:000379040200026, title = {Fingering instability of a suspension film spreading on a spinning disk}, journal = {Physics of Fluids}, volume = {28}, number = {6}, year = {2016}, month = {JUN}, pages = {063303}, publisher = {AMER INST PHYSICS}, type = {Article}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

The spreading of a thin film of suspension on a spinning disk and the accompanying contact line instability is studied through flow visualization experiments. The critical radius for the onset of instability shows an increase with increase in the particle fraction (phi(p)) before decreasing slightly at the highest value of phi(p) studied, while the instability wavelength (lambda) exhibits a non-monotonic dependence. The value of lambda is close to that for a partially wetting liquid at lower phi(p), it decreases with increasing phi(p) to a minimum before increasing again at largest phi(p). The non-monotonic trends observed for lambda are discussed in light of the linear stability analysis of thin film equations derived for suspensions by Cook et al. [{\textquoteright}{\textquoteright}Linear stability of particle-laden thin films,{\textquoteright}{\textquoteright} Eur. Phys. J.: Spec. Top. 166, 77 (2009)] and Balmforth et al. [{\textquoteright}{\textquoteright}Surface tension driven fingering of a viscoplastic film,{\textquoteright}{\textquoteright} J. Non Newtonian Fluid Mech. 142, 143 (2007)]. Published by AIP Publishing.

}, issn = {1070-6631}, doi = {10.1063/1.4953174}, author = {Kulkarni, Mayuresh and Sahoo, Subhadarshinee and Doshi, Pankaj and Orpe, Ashish V.} } @article { ISI:000367701900032, title = {First total synthesis of gliomasolide C and formal total synthesis of sch-725674}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {1}, year = {2016}, month = {JAN}, pages = {290-296}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Syntheses of two 14-membered macrolides Sch-725674 and Gliomasolide C are described here. The first total synthesis of Gliomasolide C, the short synthesis of Sch-725674, and regios elective Wacker oxidation of internal olefin are the highlights of this disclosure. In addition, a key macrocyde with orthogonal functionalities was designed and synthesized on a gram scale for the generation of analogues.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.5b02318}, author = {Seetharamsingh, B. and Khairnar, Pankaj V. and Reddy, D. Srinivasa} } @article { ISI:000375245100060, title = {Fluorescent polystyrene microbeads as invisible security ink and optical vapor sensor for 4-nitrotoluene}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {16}, year = {2016}, month = {APR}, pages = {10590-10599}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Color-tunable solid-state emitting polystyrene (PS) microbeads were developed by dispersion polymerization, which showed excellent fluorescent security ink characteristics along with sensitive detection of vapors of nitro aromatics like 4 nitro toluene (4-NT). The fluorophores pyrene and perylenebisimide were incorporated into the PS backbone as acrylate monomer and acrylate cross-linker, respectively. Solid state quantum yields of 94 and 20\% were observed for the pyrene and perylenebisimide, respectively, in the PS/Py and PS/PBI polymers. The morphology and solid state fluorescence was measured by SEM, fluorescence microscopy, and absorbance and fluorescence spectroscopy techniques. The ethanol dispersion of the polymer could be used directly as a fluorescent security {\textquoteleft}{\textquoteleft}invisible{\textquoteright}{\textquoteright} ink, which became visible only under ultraviolet light. The color of the ink could be tuned depending on the amounts of the pyrene and perylenebisimide incorporated with blue and orange-green for pyrene alone or perylenebisimide alone beads respectively and various shades in between including pure white for beads incorporating both the fluorophores. More than 80\% quenching of pyrene emission was observed upon exposure of the polymer in the form of powder or as spin-coated films to the vapors of 4-NT while the emission of perylenebisimide was unaffected. The limit of detection was estimated at 10(-5) moles (2.7 ppm) of 4-NT vapors. The ease of synthesis of the material along with its invisible ink characteristics and nitro aromatic vapor detection opens up new opportunities for exploring the application of these PS-based materials as optical sensors and fluorescent ink for security purposes.

}, keywords = {dispersion polymerization, invisible security ink, Perylenebisimide, pyrene, solid state detection}, issn = {1944-8244}, doi = {10.1021/acsami.5b12325}, author = {Sonawane, Swapnil L. and Asha, S. K.} } @article {43402, title = {Fluorescent probe for bisulfite ions: its application to two-photon tissue imaging}, journal = {Journal of Materials Chemistry B}, volume = {4}, year = {2016}, month = {DEC}, pages = {7888-7894}, abstract = {A benzoxazinone based fluorescent probe for the specific and efficient detection of bisulfite ions in aqueous medium is described. The probe formed a bisulfite/sulphite adduct with an associated turn-on fluorescence response in the red wavelength region. No interference was observed in the detection process from all possible competing anions and molecules, including cyanide ion, cysteine, homocysteine and glutathione. In addition, the probe showed a fast response time, low detection limit, and cell membrane permeability. Furthermore, the probe was two-photon excitable, enabling imaging of endogenous bisulfite ions in HeLa cells as well as in deep tissues from different organs of mouse.}, doi = {10.1039/c6tb02637k}, author = {Agarwalla, Hridesh and Pal, Suman and Paul, Anirban and Jun, Yong Woong and Bae, Juryang and Ahn, Kyo Han and Srivastava, Divesh N. and Das, Amitava} } @article { ISI:000381847500009, title = {Fluoride-assisted synthesis of 1,4,5,6-tetrahydropyridazines via [4+2] cyclodimerization of in situ-generated azoalkenes followed by a C-N bond cleavage}, journal = {Organic Letters}, volume = {18}, number = {16}, year = {2016}, month = {AUG}, pages = {3968-3971}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An unexpected CsF-assisted C-N bond cleavage was exploited to synthesize highly functionalized and biologically important 1,4,5,6-tetralrydropyridazine derivatives from alpha-halo N-acylhydrazohes in excellent yields. The extrusion of nitrogen and the [4 + 2] cycloaddition between in situ-generated azoalkenes is a key reaction in the process. The identified methodology is suitable for synthesizing a wide variety of analogues of tetrahydropyridazines, which are prevalent in many medicinally important small molecules. The reaction conditions are mild, high-yielding, and amenable for the gram scale.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01551}, author = {Shelke, Anil M. and Suryavanshi, Gurunath} } @article { ISI:000379437100016, title = {Formal enantioselective synthesis of (-)-epiquinamide by proline-catalyzed one-pot sequential -amination/propargylation of aldehyde and asymmetric dihydroxylation of olefin}, journal = {Synlett}, volume = {27}, number = {11}, year = {2016}, month = {JUL}, pages = {1699-1702}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, abstract = {

Two independent routes to the formal synthesis of (-)-epiquinamide, have been described: the first route utilizes an l-proline-catalyzed one-pot sequential -amination/propargylation of aldehyde, while the second one employs asymmetric dihydroxylation as the key reaction to install the stereochemistry. While the first synthesis was accomplished in nine steps with 24.4\% overall yield and dr 9:1, the second strategy resulted in the synthesis in eight steps with 36.4\% overall yield and with perfect enantiocontrol.

}, keywords = {Amination, diastereoselective, Dihydroxylation, Proline, quinolizidine}, issn = {0936-5214}, doi = {10.1055/s-0035-1561956}, author = {Ahuja, Brij Bhushan and Emmanuvel, Lourdusamy and Sudalai, Arumugam} } @article { ISI:000370108700010, title = {Formal synthesis of pinolide via L-proline-catalyzed sequential alpha-aminooxylation, horner-wadsworth-emmons olefination and sharpless asymmetric dihydroxylation}, journal = {Tetrahedron-Asymmetry }, volume = {27}, number = {2-3}, year = {2016}, month = {FEB}, pages = {142-147}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A convergent, formal enantioselective synthesis of pinolide, a new nonenolide, has been achieved with high enantiomeric purity (99\% ee) starting from readily available raw materials. The main highlight of the synthetic strategy is the application of L-proline catalyzed sequential alpha-aminooxylation and Horner-Wadsworth-Emmons olefination of an aldehyde, Sharpless asymmetric dihydroxylation and Steglich esterification as the key steps for the construction of a key chiral intermediate of the target molecule. (C) 2016 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2016.01.005}, author = {Shelke, Anil M. and Suryavanshi, Gurunath} } @article { ISI:000368207600006, title = {Formal total synthesis of anti-helicobacter pylori agent (+)-spirolaxine methyl ether}, journal = {Tetrahedron Letters}, volume = {57}, number = {1}, year = {2016}, month = {JAN}, pages = {25-28}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A convergent, formal enantioselective synthesis of anti-Helicobacter pylori agent, (+)-spirolaxine methyl ether 2 has been achieved in high enantiomeric purity starting from commercially available 1,5-pentanediol. The strategy mainly comprises of the Noyori{\textquoteright}s asymmetric reduction and Brown allylation/Cu-catalyzed lactonization as the key step for the construction of key chiral intermediates, spiroketal 3 and phthalide fragment 4. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Brown allylation, Cu-catalyzed lactonization, Noyori{\textquoteright}s asymmetric reduction, Phthalide, Spiroketal}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.11.047}, author = {Gadakh, Sunita K. and Sudalai, Arumugam} } @article {45655, title = {Functional additives derived from structurally well-defined poly(olefin)s: Structure - function relationships}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {252}, year = {2016}, month = {AUG }, type = {Meeting Abstract}, issn = {0065-7727}, author = {Sivaram, Swaminathan} } @article { ISI:000369200500019, title = {Functional and conformational transitions of mevalonate diphosphate decarboxylase from Bacopa monniera}, journal = {International Journal of Biological Macromolecules}, volume = {83}, year = {2016}, month = {FEB}, pages = {160-170}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Functional and conformational transitions of mevalonate diphosphate decarboxylase (MDD), a key enzyme of mevalonate pathway in isoprenoid biosynthesis, from Bacopa monniera (BmMDD), cloned and overexpressed in Escherichia coli were studied under thermal, chemical and pH-mediated denaturation conditions using fluorescence and Circular dichroism spectroscopy. Native BmMDD is a helix dominant structure with 45\% helix and 11\% sheets and possesses seven tryptophan residues with two residues exposed on surface, three residues partially exposed and two situated in the interior of the protein. Thermal denaturation of BmMDD causes rapid structural transitions at and above 40 degrees C and transient exposure of hydrophobic residues at 50 degrees C, leading to aggregation of the protein. An acid induced molten globule like structure was observed at pH 4, exhibiting altered but compact secondary structure, distorted tertiary structure and exposed hydrophobic residues. The molten globule displayed different response at higher temperature and similar response to chemical denaturation as compared to the native protein. The surface tryptophans have predominantly positively charged amino acids around them, as indicated by higher K-SV for IC as compared to that for CsCl. The native enzyme displayed two different lifetimes, vi (1.203 +/- 0.036 ns) and tau 2 (3.473 +/- 0.12 ns) indicating two populations of tryptophan. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Aggregation, CD spectroscopy, Fluorescence quenching, Mevalonate diphosphate decarboxylase, Unfolding}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2015.11.067}, author = {Shakeel, Abbassi and Patel, Krunal and Khan, Bashir Mohammad and Bhosale, Siddharth H. and Gaikwad, Sushama M.} } @article {43409, title = {Fungal cell membrane-promising drug target for antifungal therapy}, journal = {Journal of Applied Microbiology}, volume = {121}, year = {2016}, month = {DEC}, pages = {1498-1510}, abstract = {Increase in invasive fungal infections over the past few years especially in immunocompromised patients prompted the search for new antifungal agents with improved efficacy. Current antifungal armoury includes very few effective drugs like Amphotericin B; new generation azoles, including voriconazole and posaconazole; echinocandins like caspofungin and micafungin to name a few. Azole class of antifungals which target the fungal cell membrane are the first choice of treatment for many years because of their effectiveness. As the fungal cell membrane is predominantly made up of sterols, glycerophospholipids and sphingolipids, the role of lipids in pathogenesis and target identification for improved therapeutics were largely pursued by researchers during the last few years. Present review focuses on cell membrane as an antifungal target with emphasis on membrane biogenesis, structure and function of cell membrane, cell membrane inhibitors, screening assays, recent advances and future prospects.}, doi = {10.1111/jam.13301}, author = {Sant, D. G. and Tupe, Santosh Genba and Ramana, Chepuri V. and Deshpande, Mukund V.} } @article { ISI:000371021000006, title = {GAME9 regulates the biosynthesis of steroidal alkaloids and upstream isoprenoids in the plant mevalonate pathway}, journal = {Nature Communications}, volume = {7}, year = {2016}, month = {FEB}, pages = {Article Number: 10654}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Steroidal glycoalkaloids (SGAs) are cholesterol-derived molecules produced by solanaceous species. They contribute to pathogen defence but are toxic to humans and considered as anti-nutritional compounds. Here we show that GLYCOALKALOID METABOLISM 9 (GAME9), an APETALA2/Ethylene Response Factor, related to regulators of alkaloid production in tobacco and Catharanthus roseus, controls SGA biosynthesis. GAME9 knockdown and overexpression in tomato and potato alters expression of SGAs and upstream mevalonate pathway genes including the cholesterol biosynthesis gene STEROL SIDE CHAIN REDUCTASE 2 (SSR2). Levels of SGAs, C24-alkylsterols and the upstream mevalonate and cholesterol pathways intermediates are modified in these plants. Delta(7)-STEROL-C5(6)-DESATURASE (C5-SD) in the hitherto unresolved cholesterol pathway is a direct target of GAME9. Transactivation and promoter-binding assays show that GAME9 exerts its activity either directly or cooperatively with the SlMYC2 transcription factor as in the case of the C5-SD gene promoter. Our findings provide insight into the regulation of SGA biosynthesis and means for manipulating these metabolites in crops.

}, issn = {2041-1723}, doi = {10.1038/ncomms10654}, author = {Cardenas, Pablo D. and Sonawane, Prashant D. and Pollier, Jacob and Vanden Bossche, Robin and Dewangan, Veena and Weithorn, Efrat and Tal, Lior and Meir, Sagit and Rogachev, Ilana and Malitsky, Sergey and Giri, Ashok P. and Goossens, Alain and Burdman, Saul and Aharoni, Asaph} } @article {42992, title = {Ganglioside GM1 interacts with the serotonin1A receptor via the sphingolipid binding domain}, journal = {Biochimica et Biophysica Acta}, volume = {1858}, year = {2016}, month = {NOV}, pages = {2818-2826}, abstract = {

Glycosphingolipids are minor yet essential components of eukaryotic cell membranes and are involved in a variety of cellular processes. Although glycosphingolipids such as GM1 have been previously reported to influence the function of G protein-coupled receptors (GPCRs), the molecular mechanism remains elusive. In this paper, we have explored the interaction of GM1 with the serotonin1A receptor, an important neurotransmitter receptor that belongs to the GPCR family. To examine the molecular basis of the interaction of GM1 with the serotonin1A receptor, we performed a series of coarse-grain molecular dynamics simulations of the receptor embedded in membrane bilayers containing GM1. Our results show that GM1 interacts with the serotonin1A receptor predominantly at the extracellular loop 1 and specifically at the sphingolipid binding domain (SBD). The SBD motif consists of a characteristic combination of aromatic, basic and turn-inducing residues, and is evolutionarily conserved in case of the serotonin1A receptor. The interaction of the SBD site with GM1 appears to stabilize a {\textquoteright}flip-out{\textquoteright} conformation in which W102 of the extracellular loop 1 flips out from the central lumen of the receptor toward the membrane. The population of the {\textquoteright}flip-out{\textquoteright} conformation is increased in the presence of cholesterol. Our data strongly suggest that a direct interaction between GM1 and the SBD site of the serotonin1A receptor may occur in vivo. In view of the reported role of GM1 and the serotonin1A receptor in neurodegenerative diseases, GM1-receptor interaction assumes significance in the context of malfunctioning of neuronal GPCRs under such conditions.

}, doi = {10.1016/j.bbamem.2016.08.009}, author = {Prasanna, X. and Jafurulla, M. and Sengupta, Durba and Chattopadhyay, Amitabha} } @article { ISI:000371105800005, title = {Glucose-derived porous carbon-coated silicon nanowires as efficient electrodes for aqueous micro-supercapacitors}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {7}, year = {2016}, month = {FEB}, pages = {4298-4302}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this study, we report on carbon coating of vertically aligned silicon nanowire (SiNWs) arrays via a simple hydrothermal process using glucose as carbon precursor. Using this process, a thin carbon layer is uniformly deposited on the SiNWs. Under optimized conditions, the coated SiNWs electrode showed better electrochemical energy storage capacity as well as exceptional stability in aqueous system as compared to uncoated SiNWs. The as-measured capacitance reached 25.64 mF/cm(2) with a good stability up to 25000 charging/discharging cycles in 1 M Na2SO4 aqueous solution.

}, keywords = {carbon coating, glucose precursor, hydrothermal, microsupercapacitors, silicon nanowires}, issn = {1944-8244}, doi = {10.1021/acsami.5b11240}, author = {Devarapalli, Rami Reddy and Szunerits, Sabine and Coffinier, Yannick and Shelke, Manjusha V. and Boukherroub, Rabah} } @article {42688, title = {Glycation induces conformational changes in Amyloid-? peptide and enhances its aggregation propensity: molecular insights}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, year = {2016}, month = {OCT}, pages = {31446-31458}, doi = {10.1039/C6CP05041G}, author = {Jana, Asis K. and Batkulwar, Kedar B. and Kulkarni, Mahesh J. and Sengupta, Neelanjana} } @article {45639, title = {Glycopolypeptide-grafted bioactive polyionic complex vesicles (PICsomes) and their specific polyvalent interactions}, journal = {ACS Omega}, volume = {1}, year = {2016}, month = {OCT}, pages = {600-612}, type = {Article}, abstract = {

Glycopolypeptide-based self-assembled nano-/microstructures with surface-tethered carbohydrates are excellent mimics of glycoproteins on the cell surface. To expand the broad repertoire of glycopolypeptide-based supramolecular soft structures such as polymersomes formed via self-assembly of amphiphilic polymers, we have developed a new class of polyionic complex vesicles (PICsomes) with glycopolypeptides grafted on the external surface. Oppositely charged hydrophilic block copolymers of glycopolypeptide(20)-b-poly-L-lysine(100) and PEG(2k)-b-poly-L-glutamate(100) [PEG = poly(ethylene glycol)] were synthesized using a combination of ring-opening polymerization of N-carboxyanhydrides and {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry. Under physiological conditions, the catiomer and aniomer self-assemble to form glycopolypeptide-conjugated PICsomes (GP-PICsomes) of micrometer dimensions. Electron and atomic force microscopy suggests a hollow morphology of the PICsomes, with inner aqueous pool (core) and peripheral PIC (shell) regions. Owing to their relatively large (similar to micrometers) size, the hollowness of the supramolecular structure could be established via fluorescence microscopy of single GP-PICsomes, both in solution and under dry conditions, using spatially distributed fluorescent probes. Furthermore, the dynamics of single PICsomes in solution could be imaged in real time, which also allowed us to test for multivalent interactions between PICsomes mediated by a carbohydrate (mannose)-binding protein (lectin, Con-A). The immediate association of several GP-PICsomes in the presence of Con-A and their eventual aggregation to form large insoluble aggregate clusters reveal that upon self-assembly carbohydrate moieties protrude on the outer surface which retains their biochemical activity. Challenge experiments with excess mannose reveal fast deaggregation of GP-PICsomes as opposed to that in the presence of excess galactose, which further establishes the specificity of lectin-mediated polyvalent interactions of the GP-PICsomes.

}, issn = {2470-1343}, doi = {10.1021/acsomega.6b00142}, author = {Pandey, Bhawana and Mahato, Jaladhar and Cotta, Karishma Berta and Das, Soumen and Sharma, Dharmendar Kumar and Sen Gupta, Sayam and Chowdhury, Arindam} } @article { ISI:000380241600129, title = {Gold incorporated mesoporous silica thin film model surface as a robust SERS and catalytically active substrate}, journal = {Molecules}, volume = {21}, number = {5}, year = {2016}, month = {MAY}, pages = {667}, publisher = {MDPI AG}, address = {ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND}, abstract = {

Ultra-small gold nanoparticles incorporated in mesoporous silica thin films with accessible pore channels perpendicular to the substrate are prepared by a modified sol-gel method. The simple and easy spin coating technique is applied here to make homogeneous thin films. The surface characterization using FESEM shows crack-free films with a perpendicular pore arrangement. The applicability of these thin films as catalysts as well as a robust SERS active substrate for model catalysis study is tested. Compared to bare silica film our gold incorporated silica, GSM-23F gave an enhancement factor of 10(3) for RhB with a laser source 633 nm. The reduction reaction of p-nitrophenol with sodium borohydride from our thin films shows a decrease in peak intensity corresponding to -NO2 group as time proceeds, confirming the catalytic activity. Such model surfaces can potentially bridge the material gap between a real catalytic system and surface science studies.

}, keywords = {gold nanoparticles, model catalysis, SERS, Thin films}, issn = {1420-3049}, doi = {10.3390/molecules21050667}, author = {Sekhar, Anandakumari Chandrasekharan Sunil and Vinod, Chathakudath Prabhakaran} } @article { ISI:000371754000043, title = {Gold vs rhodium catalysis: tuning reactivity through catalyst control in the C-H alkynylation of isoquinolones}, journal = {Organic Letters}, volume = {18}, number = {5}, year = {2016}, month = {MAR}, pages = {1056-1059}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A site-selective C-4/C-8 alkynylation of isoquinolones catalyzed by gold and rhodium complexes is reported. A broad range of synthetically useful functional groups (-F, -Cl, -Br, -CF3, -OMe, alkyl, etc.) were tolerated, providing an efficient and robust protocol for the synthesis either C-4- or C-8-alkynylated isoquinolones.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b00175}, author = {Shaikh, Aslam C. and Shinde, Dinesh R. and Patil, Nitin T.} } @article {43615, title = {Graphene based nanocomposites for alloy (SnO2), and conversion (Fe3O4) type efficient anodes for Li-ion battery applications}, journal = {Composites Science and Technology}, volume = {130}, year = {2016}, month = {JUN}, pages = {88-95}, abstract = {Two types of trigol reduced one pot synthesized graphene (TRG) based nanocomposites (SnO2-TRG, and Fe3O4-TRG) are examined as potential anodes for Lithium ion battery (LIB) applications. The two specific systems represent different electrode reaction mechanisms, namely alloying, and conversion respectively. The high resolution transmission electron microscopy (HR-TEM) analysis confirms the uniform distribution of SnO2 (similar to 2 nm), and Fe3O4 (similar to 8 nm) particulates on ultrathin TRG nanosheets and highlights the importance of surfactant free synthesis. The SnO2-TRG, and Fe3O4-TRG exhibited the maximum reversible capacity of similar to 947, and similar to 1024 mA h g(-1), respectively. The results show that such graphene based composite materials can be effectively used as prospective anodes for LIB applications. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.compscitech.2016.05.008}, author = {Mhamane, Dattakumar and Aravindan, Vanchiappan and Taneja, Divya and Suryawanshi, Anil and Game, Onkar and Srinivasan, Madhavi and Ogale, Satishchandra B.} } @inbook {43013, title = {Graphene quantum dots - from emergence to nanotheranostic applications}, booktitle = {Smart Drug Delivery System}, year = {2016}, publisher = {Intech}, organization = {Intech}, chapter = {7}, address = {Croatia}, doi = {10.5772/61932}, author = {Joshi, Preeti Nigam and Kundu, Subir and Sanghi, Sunil K. and Sarkar, Dhiman} } @article { ISI:000375520100006, title = {Green approach to dye wastewater treatment using biocoagulants}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {4}, number = {5}, year = {2016}, month = {MAY}, pages = {2495-2507}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The present study focuses on newer biocoagulants, bioformulations, and the understanding of coagulant behavior with biocoagulants in relation to chemical coagulants. Newer biocoagulants, seeds of Azadirachta indica (AI) and pads of Acanthocereus tetragonus, are discussed along with two known biocoagulants, Moringa oleifera and Cicer arietinum seeds. Dye removal studies were carried out using widely reported Congo red dye to facilitate easy comparison with other conventional coagulants and the effect of various parameters such as initial dye concentration, pH, coagulant dose, etc. are discussed in detail. The use of biocoagulant was found to be highly effective, and up to 99\% dye removal was achieved for coagulant doses in the range of 300-1500 mg/L. It was also observed that coagulation is pH sensitive, similar to chemical coagulants. Although the biocoagulant dose is relatively higher than the conventional chemical coagulants, a good value for the sludge volume index, similar to 50 mL/g for 1 h and 30 min, respectively, was obtained for the two coagulants, Acanthocereus tetragonus and Moringa oleifera. A very high particle count compared to chemical coagulants was observed using a focused beam reflectance measurement. Bioformulation with chemical coagulants such as alum, ferric, and aluminum based coagulants can, not only lower doses of biocoagulants (up to one-third) but can also result in significant improvement in the coagulation performance, up to 50\% or more.

}, keywords = {coagulation, dye removal, Effluent treatment, flocculation, pollution}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.5b01553}, author = {Chethana, M. and Sorokhaibam, Laxmi Gayatri and Bhandari, Vinay M. and Raja, S. and Ranade, Vivek V.} } @article {42855, title = {Green leaf to inorganic leaf: a case study of ZnO}, journal = {Journal of Nanoscienceand Nanotechnology}, volume = {16}, year = {2016}, month = {SEP}, pages = {9203-9208}, abstract = {

Can we use green leaves, available freely in our gardens, as a template for making inorganic leaf, while retaining the nanospace available within the leaf architecture. The answer is {\textquoteright}yes{\textquoteright}, and it is demonstrated with inorganic leaf made up of ZnO, by intercalating Zn2+ ions into the porous channels of the champa (Plumeria, Magnolia champaca) tree leaves. TEM studies reveal a variety of macro-micro-nanospace available in the inorganic leaf ZnO (IL-ZnO), and suggest the possibility of exploiting the same to produce natural nano-architecture for various applications. A speciality of the present work is the maximum suppression of defects in photoluminescence of IL-ZnO leaf, compared to the commercial ZnO, which is exploited for light harvesting through chemical conversion. Benzene to phenol conversion was studied in UV light and IL-ZnO show significant conversion and yield demonstrating C-H activation at ambient temperature.

}, doi = {10.1166/jnn.2016.12912}, author = {Sathu, Naveen K. and Devaraji, Perumal and Gopinath, Chinnakonda S.} } @article { ISI:000371177100032, title = {Green synthesis of stable Cu(0) nanoparticles onto reduced graphene oxide nanosheets: a reusable catalyst for the synthesis of symmetrical biaryls from arylboronic acids under base-free conditions (vol 5, pg 1251, 2015)}, journal = {Catalysis Science \& Technology}, volume = {6}, number = {4}, year = {2016}, month = {FEB}, pages = {1234-1234}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Correction for {\textquoteleft}Green synthesis of stable Cu(0) nanoparticles onto reduced graphene oxide nanosheets: a reusable catalyst for the synthesis of symmetrical biaryls from arylboronic acids under base-free conditions{\textquoteright} by Najrul Hussain et al., Catal. Sci. Technol., 2015, 5, 1251{\textendash}1260.

}, issn = {2044-4753}, doi = {10.1039/c6cy90017h}, author = {Hussain, Najrul and Gogoi, Pranjal and Azhagan, Muniraj Vedi Kuyil and Shelke, Manjusha V. and Das, Manash R.} } @article {42940, title = {GSH Induced controlled release of levofloxacin from a purpose-built prodrug: luminescence response for probing the drug release in escherichia coli and staphylococcus aureus}, journal = {Bioconjugate Chemistry}, volume = {27}, year = {2016}, month = {SEP}, pages = {2062-2070}, abstract = {

Fluoroquinolones are third-generation broad spectrum bactericidal antibiotics and work against both Gram-positive and Gram-negative bacteria. Levofloxacin (L), a fluoroquinolone, is widely used in anti-infective chemotherapy and treatment of urinary tract infection and pneumonia. The main pathogen for urinary tract infections is Escherichia colt, and Streptococcus pneumoniae is responsible for pneumonia, predominantly a lower respiratory tract infection. Poor permeability of L leads to the use of higher dose of this drug and excess drug in the outer cellular fluid leads to central nervous system (CNS) abnormality. One way to counter this is to improve the lipophilicity of the drug molecule, and accordingly, we have synthesized two new Levofloxacin derivatives, which participated in the spatiotemporal release of drug via disulfide bond cleavage induced by glutathione (GSH). Recent studies with Streptococcus mutants suggest that it is localized in epithelial lining fluid (ELF) of the normal lower respiratory tract and the effective [GSH] in ELF is similar to 430 mu M. E. coli typically cause urinary tract infections and the concentration of GSH in porcine bladder epithelium is reported as 0.6 mM for a healthy human. Thus, for the present study we have chosen two important bacteria (Gram + ve and Gram - ve), which are operational in regions having high extracellular GSH concentration. Interestingly, this supports our design of new lipophilic Levofloxacin based prodrugs, which released effective drug on reaction with GSH. Higher lipophilicity favored improved uptake of the prodrugs. Site specific release of the drug (L) could be achieved following a glutathione mediated biochemical transformation process through cleavage of a disulfide bond of these purpose-built prodrugs. Further, appropriate design helped us to demonstrate that it is possible also to control the kinetics of the drug release from respective prodrugs. Associated luminescence enhancement helps in probing the release of the drug from the prodrug in bacteria and helps in elucidating the mechanistic pathway of the transformation. Such an example is scarce in the contemporary literature.

}, doi = {10.1021/acs.bioconjchem.6b00324}, author = {Pal, Suman and Ramu, Vadde and Taye, Nandaraj and Mogare, Devraj G. and Yeware, Amar M. and Sarkar, Dhiman and Reddy, D. Srinivasa and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000380823400047, title = {H2S detection using low-cost SnO2 nano-particle Bi-layer OFETs}, journal = {Sensors and Actuators B-Chemical}, volume = {235}, year = {2016}, month = {NOV}, pages = {378-385}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

In this article, a unique platform with an organic field-effect transistor (OFET) integrated with metal oxide nanoparticles for sensing of H2S gas is presented. Metal oxide nanoparticles such as SnO2 and ZnO synthesized using herbal techniques were used in the fabrication of OFETs using a bi-layer technique. The as -synthesized nanoparticles were characterized by Field Effect Scanning Electron Microscopy (FESEM), X-ray diffraction (XRD) and UV-vis Spectroscopy (UV-vis) to establish the material properties. We showed that the SnO2 based OFETs displayed better response for H2S at room temperature (25 degrees C) compared to the OFETs fabricated with ZnO. The characterization of the sensors by using extracted electrical parameters like field-effect mobility ([1), On -Current (Ion), threshold voltage (VT) and saturation current (ID]) establish the fact that the SnO2 based OFETs detect H2S gas at room temperature. Plausible mechanisms explaining the H2S gas detection by bi-layer film were discussed. On the other hand, the sensitivity of these OFETs against other reducing gases was less. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {bi-layer, H2S detection, Metal-oxide, OFETs, Sensor}, issn = {0925-4005}, doi = {10.1016/j.snb.2016.05.096}, author = {Surya, Sandeep G. and Ashwath, B. S. Narayan and Mishra, Sushma and Karthik, A. R. B. and Sastry, A. B. and Bhagavatula L. V. Prasad and Rangappa, Dinesh and Rao, V. Ramgopal} } @inbook {45859, title = {Heterogeneous catalysis}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {41-111}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {A majority of industrial catalytic processes use heterogeneous catalysts because of their engineering advantages. At present, heterogeneous catalysis covers almost 80\% of the global market share. The demand for heterogeneous catalysis is growing annually. In 2010, it was about US 14 billion and expected estimation of it in 2015 is around 20 billion. Understanding at the molecular level the way surfaces of solids catalyze chemical reactions is a challenge in this area of research. This chapter introduces the fundamentals of heterogeneous catalysis, current industrial practices using solid catalysts, reaction steps involved in heterogeneous catalysis, conventional and advanced methods of catalyst preparation, catalyst characterization techniques, causes for catalyst deactivation, steps to avoid deactivation, and methods of catalyst reactivation. }, issn = {978-012801457-8}, doi = {10.1016/B978-0-12-801457-8.00003-3}, author = {Unnikrishnan, P. and Srinivas, D.} } @article { ISI:000381834800016, title = {Hierarchical K/LTL zeolites: synthesis by alkali treatment, characterization and catalytic performance in knoevenagel condensation reaction}, journal = {Journal of Industrial and Engineering Chemistry}, volume = {40}, year = {2016}, month = {AUG}, pages = {128-136}, publisher = {ELSEVIER SCIENCE INC}, address = {360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA}, abstract = {

The hierarchical K/LTL zeolites prepared by post-synthesis modification with aqueous 1.5 M KOH solution by varying alkali volume to K/LTL zeolite (10-70 ml/g) ratios, were examined in Knoevenagel condensation. The physico-chemical properties of the catalysts were thoroughly evaluated by PXRD, ICP, CO2-TPD, XPS, N-2 adsorption/desorption and Si-29 and Al-22 MAS-NMR. Among all the samples, hierarchical K/LTL prepared by treating K/LTL with 50 ml aqueous 1.5 M KOH solution per gram of K/LTL displayed about 1.5 fold higher catalytic activity as compared to parent K/LTL, presumably because of combined effect of enhanced basicity and molecular diffusion through pore channels. (C)2016 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.

}, keywords = {Basicity, Hierarchical zeolite, K/LTL, Knoevenagel condensation, Micro-mesoporous composite}, issn = {1226-086X}, doi = {10.1016/j.jiec.2016.06.016}, author = {Tangale, Nilesh P. and Sonar, Shilpa K. and Niphadkar, Prashant S. and Joshi, Praphulla N.} } @article { ISI:000379250900005, title = {High ash char gasification in thermo-gravimetric analyzer and prediction of gasification performance parameters using computational intelligence formalisms}, journal = {Chemical Engineering Communications}, volume = {203}, number = {8}, year = {2016}, month = {JAN}, pages = {1029-1044}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

The coal gasification is a cleaner and more efficient process than the coal combustion. Although high ash coals are commonly utilized in the energy generation, systematic gasification kinetic studies using chars derived from these coals are scarce. Accordingly, this paper reports the development of the data-driven models for the gasification of chars derived from the high ash coals. Specifically, the models predict two important gasification performance parameters, viz. gasification rate constant and reactivity index. These models have been constructed using three computational intelligence (CI) methods, namely genetic programming (GP), multilayer perceptron (MLP) neural network (NN), and support vector regression (SVR). The inputs to the CI-based models consist of seven parameters representing the gasification reaction conditions and properties of high ash coals and chars. The data used in the modeling were collected by performing extensive gasification experiments in the CO2 atmosphere in a thermo-gravimetric analyzer (TGA) using char samples derived from the Indian coals containing high ash content. Values of the two gasification performance parameters were obtained by fitting the experimental data to the shrinking unreacted core (SUC) model. It has been observed that all the CI-based models possess an excellent prediction accuracy and generalization capability. Accordingly, these models can be gainfully employed in the design and operation of the fixed and fluidized bed gasifiers using high ash coals.

}, keywords = {Char gasification kinetic modeling, Data-driven modeling, genetic programming, Multilayer perceptron neural network, support vector regression, Thermo-gravimetric analyzer}, issn = {0098-6445}, doi = {10.1080/00986445.2015.1135795}, author = {Patil-Shinde, Veena and Saha, Sujan and Sharma, Bijay K. and Tambe, Sanjeev S. and Kulkarni, Bhaskar D.} } @article { ISI:000378715600028, title = {High hydroxide conductivity in a chemically stable crystalline metal-organic framework containing a water-hydroxide supramolecular chain}, journal = {Chemical Communications}, volume = {52}, number = {54}, year = {2016}, month = {JUN}, pages = {8459-8462}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A chemically stable cationic MOF encapsulating an in situ formed water-hydroxide supramolecular anionic chain is realized for high hydroxide (OH-) ion conductivity in the solid-state (Type A). High OH- ion conductivity and low activation energy of the MOF demonstrate the advantage of the in situ incorporation of OH- ions to achieve efficient OH- ion conduction in the solid-state.

}, issn = {1359-7345}, doi = {10.1039/c6cc04436k}, author = {Nagarkar, Sanjog S. and Anothumakkool, Bihag and Desai, Aamod V. and Shirolkar, Mandar M. and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article { ISI:000371753500044, title = {High loading of pd nanoparticles by interior functionalization of mofs for heterogeneous catalysis}, journal = {Inorganic Chemistry}, volume = {55}, number = {5}, year = {2016}, month = {MAR}, pages = {2345-2354}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this report, the issue related to nanoparticle (NP) agglomeration upon increasing their loading amount into metal-organic frameworks (MOFs) has been addressed by functionalization of MOFs with alkyne groups. The alkynophilicity of the Pd2+ (or other noble metals) ions has been utilized successfully for significant loading of Pd NPs into alkyne functionalized MOFs. It has been shown here that the size and loading amount of Pd NPs are highly dependent on the surface area and pore width of the MOFs. The loading amount of Pd NPs was increased monotonically without altering their size distribution on a particular MOF. Importantly, the distinct role of alkyne groups for Pe(2+) stabilization has also been demonstrated by performing a control experiment considering a MOF without an alkyne moiety. The preparation of NPs involved two distinct steps viz. adsorption of metal ions inside MOFs and reduction of metal ions. Both of these steps were monitored by microscopic techniques. This report also demonstrates the applicability of Pd@MOF NPs as extremely efficient heterogeneous catalysts for Heck-coupling and hydrogenation reactions of aryl bromides or iodides and alkenes, respectively.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.5b02739}, author = {Gole, Bappaditya and Sanyal, Udishnu and Banerjee, Rahul and Mukherjee, Partha Sarathi} } @article { ISI:000370100200012, title = {Highly active bile salt hydrolase from enterococcus faecalis shows positive cooperative kinetics}, journal = {Process Biochemistry}, volume = {51}, number = {2}, year = {2016}, month = {FEB}, pages = {263-269}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Bile salt hydrolase (BSH; cholylglycine hydrolase, EC 3.5.1.24) is an important enzyme that catalyses the deconjugation of bile acids conjugated with glycine or taurine and assists in the reduction of blood cholesterol levels. In the present study, we report the cloning, overexpression and characterisation of BSH gene from a gut-associated microbe Enterococcus faecalis (EfBSH). The overexpressed protein in Escherichia coli was purified to homogeneity. Optimum pH and temperature for activity were found to be 5.0 and 50 degrees C, respectively. The enzyme was considerably stable in the pH range of 5.0-7.0 and at a temperature of up to 50 degrees C. It showed high specific activity of 1390 U mg(-1) and 1289 U mg-1 for substrates such as glycocholic acid (GCA) and glycodeoxycholic acid (GDCA), respectively. The effect of additives on enzyme activity was assessed, and the detergent Triton X showed a marginally enhanced activity. The enzyme demonstrated unique enzyme kinetics of non-linear regression, thereby displaying positive cooperativity. In addition, the modulating effect of the non-substrate ligand Pen V on the hydrolysing ability of EfBSH towards bile acid such as GDCA was measured. It was observed that Pen V significantly enhanced the BSH activity. This is markedly different from the previously reported competitive inhibition of BSH activity by Pen V. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Allosteric regulation, Bile acids, Bile salt hydrolase, Enzyme kinetics, Gut organism, Penicillin V acylase}, issn = {1359-5113}, doi = {10.1016/j.procbio.2015.12.006}, author = {Chand, Deepak and Ramasamy, Sureshkumar and Suresh, C. G.} } @article {45637, title = {Highly stable In-SBA-15 catalyst for vapor phase Beckmann rearrangement reaction}, journal = {Microporous and Mesoporous Materials}, volume = {234}, year = {2016}, month = {NOV }, pages = {293-302}, type = {Article}, abstract = {

The Indium doped SBA-15 material was prepared by sol-gel method and tested for vapor phase Beckman rearrangement reaction. Among three indium loading, In/Si ratio of 2/100 was found as an optimum composition in terms of caprolactam selectivity (100\%) and cyclohexanone oxime conversion (100\%). The catalysts were characterized by N-2 adsorption, small-angle X-rays/neutron scattering (SAXS/SANS), XRD, FESEM, HRTEM, EDX, UV, FTIR and NH3-TPD techniques. In-situ SANS experiment was performed on the adsorption of CO2 to detect the micropores in the mesopore wall. All catalysts samples have highly ordered hexagonal structure with well dispersed indium in the silica matrix. The fine tuning of weak and strong acid sites were found in indium doped SBA-15 (In/Si = 2/100) catalyst. The same catalyst showed optimum catalytic performance, high space time yield 114.4 mol/h/g(cat) and high stability till 6 h of reaction without deactivation. The micro-kinetic analysis showed that there were no external and internal diffusion limitations in the SBA-15 catalyst. The reaction mechanism of Beckmann rearrangement over In-SBA-15 has been elucidated. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {e-Caprolactam, In-situ SANS, indium, SAXS, SBA-15}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2016.07.024}, author = {Kumar, Rawesh and Shah, Sneha and Bahadur, Jitendra and Melnichenko, Yuri B. and Sen, Debasis and Mazumder, S. and Vinod, Chathakudath P. and Chowdhury, Biswajit} } @article { ISI:000380052000012, title = {Highly stable laser-scribed flexible planar microsupercapacitor using mushroom derived carbon electrodes}, journal = {Advanced Materials Interfaces}, volume = {3}, number = {11}, year = {2016}, month = {JUN}, pages = {1600057}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A report is presented on the fabrication of all solid-state interdigitated flexible microsupercapacitor using ultrafast and highly scalable laser scribing technique, using highly mesoporous carbon synthesized from biomass (mushroom) with hydrothermal preprocessing. The specific protocol used for carbon synthesis renders some unique property features to the material (surface area of 2604 m(2) g(-1) with hierarchical pore size distribution) in the context of supercapacitor electrode application. A polyvinyl alcohol (PVA)-H2SO4 gel electrolyte is used for electrochemical measurements. The microsupercapacitor shows high cyclic stability up to 15000 cycles. Moreover it shows nearly 90\% stability after 1000 bending cycles at 60 degrees angle. It also retains its performance even under 120 degrees bending condition. This work represents a facile and fast technique for microscaled device fabrication that can be easily commercialized. Moreover, the mushroom-derived carbon used to make the electrodes holds great promise in context of the stability and flexibility of flexible supercapacitors.

}, issn = {2196-7350}, doi = {10.1002/admi.201600057}, author = {Yadav, Poonam and Basu, Aniruddha and Suryawanshi, Anil and Game, Onkar S. and Ogale, Satishchandra} } @article { ISI:000369753300003, title = {Highly stereoselective, intermolecular haloetherification and haloesterification of allyl amides}, journal = {Synthesis-Stuttgart}, volume = {48}, number = {3}, year = {2016}, month = {FEB}, pages = {A25-A28}, publisher = {GEORG THIEME VERLAG KG}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, issn = {0039-7881}, author = {Soltanzadeh, Bardia and Jaganathan, Arvind and Borhan, Babak} } @article { ISI:000368563000102, title = {Hybrid perovskite quantum nanostructures synthesized by electrospray antisolvent-solvent extraction and intercalation}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {1}, year = {2016}, month = {JAN}, pages = {854-861}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Perovskites based on organometal lead halides have attracted great deal of scientific attention recently in the context of solar cells and optoelectronic devices due to their unique and tunable electronic and optical properties. Herein, we show that the use of electrospray technique in conjunction with the antisolventsolvent extraction leads to novel low-dimensional quantum structures (especially 2-D nanosheets) of CH3NH3PbI3- and CH3NH3PbBr3-based layered perovskites with unusual luminescence properties. We also show that the optical bandgaps and emission characteristics of these colloidal nanomaterials can be tuned over a broad range of visible spectral region by compositional tailoring of mixed-halide (I- and Br-based) perovskites.

}, keywords = {2D nanostructure systems, antisolvent-solvent extraction, bandgap tuning, electrospray, nanosheets, perovskite, quantum dots}, issn = {1944-8244}, doi = {10.1021/acsami.5b10208}, author = {Naphade, Rounak and Nagane, Satyawan and Shanker, G. Shiva and Fernandes, Rohan and Kothari, Dushyant and Zhou, Yuanyuan and Padture, Nitin P. and Ogale, Satishchandra} } @article {42689, title = {Hydralazine inhibits amyloid beta (Aβ) aggregation and glycation and ameliorates Aβ1{\textendash}42 induced neurotoxicity}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {NOV}, pages = {108768-108776}, doi = {10.1039/C6RA20225J}, author = {Batkulwar, Kedar B. and Jana, Asis K. and Godbole, Rashmi K. and Khandelwal, Puneet and Sengupta, Neelanjana and Kulkarni, Mahesh J.} } @article {45652, title = {Hydrogen-bonded organic frameworks (HOFs): a new class of porous crystalline proton-conducting materials}, journal = {Angewandte Chemie-International Edition}, volume = {55}, year = {2016}, month = {AUG }, pages = {10667-10671}, type = {Article}, abstract = {

Two porous hydrogen-bonded organic frameworks (HOFs) based on arene sulfonates and guanidinium ions are reported. As a result of the presence of ionic backbones appended with protonic source, the compounds exhibit ultra-high proton conduction values (sigma) 0.75x 10(-2)Scm(-1) and 1.8x10(-2)Scm(-1) under humidified conditions. Also, they have very low activation energy values and the highest proton conductivity at ambient conditions (low humidity and at moderate temperature) among porous crystalline materials, such as metal-organic frameworks (MOFs) and covalent organic frameworks (COFs). These values are not only comparable to the conventionally used proton exchange membranes, such as Nafion used in fuel cell technologies, but is also the highest value reported in organic-based porous architectures. Notably, this report inaugurates the usage of crystalline hydrogen-bonded porous organic frameworks as solid-state proton conducting materials.

}, keywords = {guanidinium, hydrogen-bonded organic frameworks, porous crystalline frameworks, proton conduction, sulfonates}, issn = {1433-7851}, doi = {10.1002/anie.201604534}, author = {Karmakar, Avishek and Illathvalappil, Rajith and Anothumakkool, Bihag and Sen, Arunabha and Samanta, Partha and Desai, Aamod V. and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article { ISI:000372175300004, title = {I-2-mediated regioselective C-3 azidation of indoles}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, number = {11}, year = {2016}, month = {FEB}, pages = {3027-3030}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An unprecedented synthesis of novel 3-azido indoles has been developed using I-2 and NaN3 in high yields and excellent regio-selectivity. The reaction proceeds under metal-free conditions at room temperature. Essentially, an umpolung in reactivity at the C-3 position of indole has been achieved by the activation of indoles with I-2.

}, issn = {1477-0520}, doi = {10.1039/c6ob00295a}, author = {Prasad, Pragati K. and Kalshetti, Rupali G. and Reddi, Rambabu N. and Kamble, Sanjay P. and Sudalai, Arumugam} } @article {42901, title = {Identification of noreremophilane-based inhibitors of angiogenesis using zebrafish assays}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, year = {2016}, month = {OCT}, pages = {1569-1578}, author = {Muthukumarasamy, Kalai Mangai and Handore, Kishor L. and Kakade, Dipti N. and Shinde, Madhuri V. and Ranjan, Shashi and Kumar, Naveen and Sehrawat, Seema and Sachidanandan, Chetana and Reddy, D. Srinivasa} } @article { ISI:000375602300007, title = {Identification of unintuitive features of sumoylation through mathematical modeling}, journal = {Journal of Biological Chemistry}, volume = {291}, number = {18}, year = {2016}, month = {APR}, pages = {9458-+}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

Sumoylation is a multistep, multienzymatic post-translational modification in which a small ubiquitin-like modifier protein (SUMO) is attached to the target. We present the first mathematical model for sumoylation including enzyme mechanism details such as autosumoylation of E2 and multifunctional nature of SENP. Simulations and analysis reveal three nonobvious properties for the long term response, modeled as an open system: (i) the steady state sumoylation level is robust to variation in several enzyme properties; (ii) even when autosumoylation of E2 results in equal or higher activity, the target sumoylation levels are lower; and (iii) there is an optimal SENP concentration at which steady state target sumoylation level is maximum. These results are qualitatively different for a short term response modeled as a closed system, where e.g. sumoylation always decreases with increasing SENP levels. Simulations with multiple targets suggest that the available SUMO is limiting, indicating a possible explanation for the experimentally observed low fractional sumoylation. We predict qualitative differences in system responses at short post-translational and longer transcriptional time scales. We thus use this mechanism-based model to explain system properties and generate testable hypotheses for existence and mechanism of unexpected responses.

}, issn = {0021-9258}, doi = {10.1074/jbc.M115.676122}, author = {Puntambekar, Shraddha S. and Nyayanit, Dimpal and Saxena, Priyanka and Gadgil, Chetan J.} } @article { ISI:000372657900015, title = {Immobilization of multivalent glycoprobes on gold surfaces for sensing proteins and macrophages}, journal = {Analyst}, volume = {141}, number = {7}, year = {2016}, month = {FEB}, pages = {2250-2258}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The multivalent display of carbohydrates on the cell surface provides cooperative binding to improve the specific biological events. In addition to multivalency, the spatial arrangement and orientation of sugars with respect to external stimuli also trigger carbohydrate-protein interactions. Herein, we report a non-covalent host-guest strategy to immobilize heptavalent glyco-beta-cyclodextrin on gold-coated glass slides to study multivalent carbohydrate-protein interactions. We have found that the localization of sugar entities on surfaces using beta-cyclodextrin (beta-CD) chemistry increased the avidity of carbohydrate-protein and carbohydrate-macrophage interactions compared to monovalent-beta-CD sugar coated surfaces. This platform is expected to be a promising tool to amplify the avidity of sugar-mediated interactions on surfaces and contribute to the development of next generation bio-medical products.

}, issn = {0003-2654}, doi = {10.1039/c5an02336j}, author = {Gade, Madhuri and Khandelwal, Puneet and Sangabathuni, Sivakoti and Bavireddi, Harikrishna and Murthy, Raghavendra Vasudeva and Poddar, Pankaj and Kikkeri, Raghavendra} } @article { ISI:000380735100016, title = {Impact of H2S impurity on carbon dioxide hydrate formation kinetics in fixed bed arrangements}, journal = {Industrial \& Engineering Chemistry Research}, volume = {55}, number = {29}, year = {2016}, note = {13th International Conference on Carbon Dioxide Utilization (ICCDU), Singapore, SINGAPORE, JUL 05-09, 2015}, month = {JUL}, pages = {7964-7972}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In the present work, a combination of silica sand and metallic sheets as a fixed bed media was used for carbon dioxide hydrate formation studies. Two metallic sheets, aluminum and brass, were incorporated into the fixed bed of silica sand to enhance heat transfer properties of the bed. The results obtained from this arrangement of metal sheets were compared with those obtained with a pure silica sand system. Both brass and aluminum systems were found to be good candidates to enhance gas hydrate formation kinetics compared to simply a sand system. Production of fuel gas from coal often contains a toxic gas, hydrogen sulfide (H2S). For the first time, the effect of H2S on the formation kinetics of CO2 + H-2 + H2S hydrates has been studied. It was observed that the presence of H2S does not affect the hydrate formation kinetics and total gas uptake in the presence of H2S is either as good as CO2 + H-2 hydrate or better. However, H2S impurity in the fuel gas mixture shows a corrosive effect on silica sand media.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.5b04079}, author = {Kumar, Asheesh and Sakpal, Tushar and Bhattacharjee, Gaurav and Kumar, Anupam and Kumar, Rajnish} } @article {43432, title = {Improved all-polymer solar cell performance of n-type naphthalene diimide-bithiophene P(NDI2OD-T2) copolymer by incorporation of perylene diimide as coacceptor}, journal = {Macromolecules}, volume = {49}, year = {2016}, month = {NOV}, pages = {8113-8125}, abstract = {

Naphthalene diimide-bithiophene P(NDI2OD-T2) is a well-known donor-acceptor polymer, previously explored as n-type material in all-polymer solar cells (all-PSCs) and organic field effect transistor (OFETs) applications. The optical, bulk, electrochemical, and semiconducting properties of P(NDI2OD-T2) polymer were tuned via random incorporation of perylene diimide (PDI) as coacceptor with naphthalene diimide (NDI). Three random copolymers containing 2,2{\textquoteright}-bithiophene as donor unit and varying compositions of naphthalene diimide (NDI) and perylene diimide (xPDI, x = 15, 30, and 50 mol \% of PDI) as two mixed acceptors were synthesized by Stille coupling copolymerization. Proton NMR spectra recorded in CD Cl-3 showed that the pi-pi stacking induced aggregation among the naphthalene units could be successfully disrupted by the random incorporation of bulky PDI units. The newly synthesized random copolymers were investigated as electron acceptors in BHJ all-PSCs, and their performance was compared with P(NDI2OD-T2) as reference polymer. An enhanced PCE of 5.03\% was observed for BHJ all-PSCs (all-polymer solar cells) fabricated using NDI-Th-PDI30 as acceptor and PTB7-Th as donor, while the reference polymer blend with the same donor polymer exhibited PCE of 2.97\% efficiency under similar conditions. SCLC bulk carrier mobility measured for blend devices showed improved charge mobility compared to reference polymer, with PTB7-Th:NDI-Th-PDI30 blend device exhibiting the high hole and electron mobility of 4.2 x 10(-4) and 1.5 x 10(-4) cm(2)/(V s), respectively. This work demonstrates the importance of molecular design via random copolymer strategy to control the bulk crystallinity, compatibility, blend morphology, and solar cell performance of n-type copolymers.

}, doi = {10.1021/acs.macromol.6b01566}, author = {Sharma, Sandeep and Kolhe, Nagesh B. and Gupta, Vinay and Bharti, Vishal and Sharma, Abhishek and Datt, Ram and Chand, Suresh and Asha, S. K.} } @article { ISI:000369096800004, title = {Improved performance of microcapsules with polymer nanocomposite wall: preparation and characterization}, journal = {Polymer}, volume = {83}, year = {2016}, month = {JAN}, pages = {27-33}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Polyurea/clay nanocomposite microcapsules containing dimethyl phthalate (DMP) as a model compound were prepared by interfacial polymerization technique. Nanoclays namely, montmorillonite Na+ (MMT) and Laponite were incorporated into microcapsule wall and their effects on morphology, thermal properties and release of DMP from microcapsules were investigated. All microcapsules were characterized using scanning electron microscope (SEM), X-ray diffraction (XRD), transmission electron microscope (TEM), thermogravimetric analysis (TGA) and Fourier transform infrared (FTIR) spectroscopy. The present preparation process results in formation of polyurea/clay nanocomposite microcapsule wall with intercalated clay layered as evidenced by XRD and TEM. Nanocomposite microcapsules have shown significant reduction in release of DMP and change in release mechanism as compared to the pristine microcapsules. Nanocomposite microcapsules show good improvement in the fracture strength as compared to pristine microcapsules. The approach used herein is simple and can be adopted to many other polymeric microcapsule systems prepared by different microencapsulation techniques, requiring reduction in release rate and/or mechanism for several applications like pharmaceuticals, agrochemicals, industrially important chemicals, consumer products, etc. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {Microcapsules, Nanoclay, Nanocomposites, Polyurea, Release mechanism}, issn = {0032-3861}, doi = {10.1016/j.polymer.2015.12.011}, author = {Jagtap, Siddheshwar B. and Mohan, Muthu Subramanian and Shukla, Parshuram G.} } @article {42908, title = {In situ fabrication of highly crystalline CdS decorated Bi2S3 nanowires (nano-heterostructure) for visible light photocatalyst application}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {FEB}, pages = {23508-23517}, abstract = {

In situ synthesis of the orthorhombic Bi2S3 nanowires decorated with hexagonal CdS nanoparticles (nano-heterostructure) has been demonstrated by a facile solvothermal method. The tiny 5-7 nm CdS spherical nanoparticles are decorated on the surfaces of 30-40 nm Bi2S3 nanowires, successfully. Structural, morphological and optical studies clearly show the existence of CdS on the nanowires. A possible sequential deposition growth mechanism is proposed on the basis of experimental results to reveal the formation of the nano heterostructure. The heterostructures have been used as a photocatalyst for hydrogen production as well as degradation of methylene blue under solar light. The maximum hydrogen evolution i.e. 4560 and 2340 mu mol h(-1) 0.5 g was obtained from H2S splitting and glycerol degradation for Bi2S3 NWs decorated with CdS nanoparticles (nano-heterostructure) which is higher than that of the Bi2S3 NWs (3000 and 1170 mu mol h(-1) 0.5 g, respectively). The enhanced photocatalytical hydrogen evolution efficiency of the heterostructures is mainly attributed to its nanostructure. In the nano heterostructure, the CdS nanoparticles control the charge carrier transition, recombination, and separation, while the Bi2S3 nanowire serves as a support for the CdS nanoparticles. The photogenerated electron{\textquoteright}s migration is faster than the holes from the inside of a CdS nanoparticle to its surface or to the phase interface, resulting in a relatively higher hole density inside the CdS nanoparticle leaving electron density at surface of the Bi2S3 NWs. This influences the photocatalytic activity under solar light. Such nano-heterostructures may have potential in other photocatalytic reactions.

}, author = {Panmand, Rajendra P. and Sethi, Yogesh A. and Deokar, Rajashree S. and Late, Dattatray J. and Gholap, Haribhau M. and Baeg, Jin-Ook and Kale, Bharat B.} } @article {42944, title = {In vitro and ex vivo antitubercular activity of diarylheptanoids from the rhizomes of alpinia officinarum hance}, journal = {Natural Product Research}, volume = {30}, year = {2016}, month = {MAR}, pages = {2825-2830}, abstract = {

Phytochemical investigation of methanol extract of the rhizomes of Alpinia officinarum Hance afforded four known diarylheptanoids 1,7-diphenylhept-4-en-3-one (1), 5-hydroxy-1,7-diphenyl-3-heptanone (2), 5-hydroxy-7-(4 {\textquoteright}{\textquoteright}-hydroxy-3 {\textquoteright}{\textquoteright}-methoxyphenyl)-1-phenyl-3-heptanone (3), and 7-(4 {\textquoteright}{\textquoteright}-hydroxy-3 {\textquoteright}{\textquoteright}-methoxyphenyl)-1-phenyl heptan-3-one (4).The acetate derivative of (4), 7-(4 {\textquoteright}{\textquoteright}-actetate-3 {\textquoteright}{\textquoteright}-methoxy phenyl)-1-phenyl heptan-3-one (5), was prepared. These diarylheptanoids exhibited promising in vitro and ex vivo antitubercular activity for the first time against dormant Mycobacterium tuberculosis H37Ra with the IC50 values between 0.3447.69 and 0.1322.91 mu M, respectively. All compounds showed comparable activity against Mycobacterium bovis BCG (dormant phage) and did not show any activity against two gram + ve and two gram -ve bacterial strains. These compounds were also weakly cytotoxic up to 300 mu M against three human cancer cell lines THP-1, Panc-1 and A549.

}, doi = {10.1080/14786419.2016.1149702}, author = {Honmore, Varsha S. and Rojatkar, Supada R. and Nawale, Laxman U. and Arkile, Manisha A. and Khedkar, Vijay M. and Natu, Arun D. and Sarkar, Dhiman} } @article { ISI:000375647900005, title = {Incorporation of rigid polyaromatic groups in polybenzimidazole-based polymeric ionic liquids: assertive effects on gas permeation properties}, journal = {Polymer}, volume = {93}, year = {2016}, month = {JUN}, pages = {30-36}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Polymeric ionic liquids (PILs) have emerged as promising membrane materials for CO2 separation. The present work is aimed at investigating the effects of incorporation of rigid polyaromatic hydrocarbons, viz., pyrene and anthracene, in polybenzimidazole-based PILs. The effects of substituent and anion variation on the gas permeation properties of PILs using pure gases were examined at 20 atm upstream pressure. The results were correlated with physical properties of PILs. The pyrene substituted PIL exhibited similar to 10 fold increase in CO2 permeability as compared to its precursor polymer PBI-BuI. The combination of a CO2 specific anion and bulky group substitution offered higher CO2 permeability as well as appreciable permselectivity than their structural analogue that was devoid of IL functionality. The permeation properties of present PILs were superior to those of conventional glassy polymers such as polysulfone, matrimid and polycarbonate which are widely studied for their gas permeation properties. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Gas permeation, membranes, Polymeric ionic liquids}, issn = {0032-3861}, doi = {10.1016/j.polymer.2016.03.093}, author = {Shaligram, Sayali V. and Rewar, Anita S. and Wadgaonkar, Prakash P. and Kharul, Ulhas K.} } @article {43424, title = {Industrial wastewater treatment for fertilizer industry a case study}, journal = {Desalination and Water Treatment}, volume = {57}, year = {2016}, month = {DEC}, pages = {27934-27944}, abstract = {Wastewaters from chemical fertilizer industry mainly contain organics, alcohols, ammonia, nitrates, phosphorous, heavy metals such as cadmium and suspended solids. The nature of effluent streams varies in terms of its constituents and complexity. The present work attempts to fill the void in the literature that mostly reports synthetic wastewater treatment studies, by evaluating effluent treatment solutions and comparison of different methods for real wastewaters from the fertilizer industry. An attempt has been made to devise suitable methodology mainly using a new device in the form of vortex diode for hydrodynamic cavitation and also using adsorption, for several real wastewater streams from different locations in one major fertilizer industry of Maharashtra, India. The strategy involved characterization of wastewaters, studies on the effective removal of chemical oxygen demand (COD) and devising solutions for effective reduction in ammoniacal nitrogena more serious issue in the fertilizer industry. The characterization of wastewaters from different streams revealed huge variation in COD from 50 to 140,000ppm and ammoniacal nitrogen from 6 to 1,700ppm. Some effluent streams contained alcohol up to 5\%. Hydrodynamic cavitation using vortex diode and adsorption with modified carbons were used to treat these streams. Cavitation studies were carried out on a pilot plant and the effect of pressure drop, cavitating device and process intensification were studied. It was observed that the effluent treatment strategy requires careful identification and application of suitable treatment method on the basis of the nature of the effluent. Also, hydrodynamic cavitation, using vortex diode appears to be techno-economically attractive option in treating fertilizer wastewaters giving a very high reduction in COD and ammoniacal nitrogen (up to 85\%), similar to adsorption. The results clearly identify potential of newer methodologies in the treatment of effluents in the fertilizer industry.}, doi = {10.1080/19443994.2016.1186399}, author = {Bhandari, Vinay M. and Sorokhaibam, Laxmi Gayatri and Ranade, Vivek V.} } @article {43419, title = {Influence of carbon and phosphorus doping on electronic properties of ZnO}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {27}, year = {2016}, month = {DEC}, pages = {12318-12322}, abstract = {ZnO is one of the most promising candidate for photoelectrochemical splitting of water for hydrogen production. To increase the efficiency of ZnO based photoelectrochemical cell, its band-gap and band edges should be tailored to match visible light spectra and water redox potential respectively. In this paper, First-principles density functional theory calculations have been performed to evaluate the effect of non-metal dopants on electronic properties of ZnO. The model structures of X-doped ZnO were constructed using 32-atom 2 x 2 x 2 supercell of wurtzite ZnO with one O atom replaced with X (carbon C, phosphorus P). With respect to the electronic band structure, C (2p), P (3p) states are located above the valence band maximum of ZnO and mixing of these states is feeble to produce significant band gap narrowing. Doping of these non-metals dopants helps in the creation of isolated states which enhances visible light absorption of ZnO. Our theoretical calculations are consistent with the experimental results of C (P) doped ZnO and fully explains its visible light activity on non-metal doping.}, doi = {10.1007/s10854-016-5192-z}, author = {Sharma, Vidhika and Prasad, Mohit and Jadkar, Sandesh and Pal, Sourav} } @article {43599, title = {Inhibition of quorum-sensing-mediated biofilm formation in Cronobacter sakazakii strains}, journal = {Microbiology-SGM}, volume = {162}, year = {2016}, month = {SEP}, pages = {1708-1714}, abstract = {The present study investigated plant extracts for their anti-quorum-sensing (QS) potential to inhibit the biofilm formation in Cronobacter sakazakii strains. The bioassay based on loss of pigment production by Chromobacterium violaceum 026 and Agrobacterium tumefaciens NTL4 (pZLR4) was used for initial screening of the extracts. Further, the effect of extracts on the inhibition of QS-mediated biofilm in C. sakazakii isolates was evaluated using standard crystal violet assay. The effect on biofilm texture was studied using SYTO9 staining and light and scanning electron microscopy. Among the tested extracts, Piper nigrum and Cinnamomum verum at 100 ppm resulted in 78 and 68\% reduction in the production of violacein as well as blue-green colour in both biosensor strains. A higher inhibitory activity (>50 \%) on biofilm formation in C. sakazakii was observed for Pip. nigrum and Cin. verum, whereas the other extracts possessed moderate (25-50 \%) and minimal (<25 \%) inhibitory activities. Further, the fluorescent and scanning electron microscopic images indicated a major disruption in the architecture of biofilms of tested strains by Pip. nigrum. This study points to the possibility of using Pip. nigrum and Cin. verum as inhibitor of QS-mediated biofilm formation by C. sakazakii that could be further explored for novel bioactive molecules to limit the emerging infections of C. sakazakii}, doi = {10.1099/mic.0.000342}, author = {Singh, Niharika and Patil, Amrita and Prabhune, Asmita and Goel, Gunjan} } @article { ISI:000373419900016, title = {Intensification of degradation of methomyl (carbamate group pesticide) by using the combination of ultrasonic cavitation and process intensifying additives}, journal = {Ultrasonics Sonochemistry}, volume = {31}, year = {2016}, month = {JUL}, pages = {135-142}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

In the present work, the degradation of methomyl has been carried out by using the ultrasound cavitation (US) and its combination with H2O2, Fenton and photo-Fenton process. The study of effect of operating pH and ultrasound power density has indicated that maximum extent of degradation of 28.57\% could be obtained at the optimal pH of 2.5 and power density of 0.155 W/mL. Application of US in combination with H2O2, Fenton and photo-Fenton process has further accelerated the rate of degradation of methomyl with complete degradation of methomyl in 27 min, 18 min and 9 min respectively. Mineralization study has proved that a combination of US and photo -Fenton process is the most effective process with maximum extent of mineralization of 78.8\%. Comparison of energy efficiency and cost effectiveness of various processes has indicated that the electrical cost of 79892.34 Rs./m(3) for ultrasonic degradation of methomyl has drastically reduced to 2277.00 Rs./m(3), 1518.00 Rs./m(3) and 807.58 Rs./m(3) by using US in combination with H2O2, Fenton and photo-Fenton process respectively. The cost analysis has also indicated that the combination of US and photo-Fenton process is the most energy efficient and cost effective process. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Fenton, Hydrogen peroxide, Methomyl, Photo-Fenton, Synergistic coefficient, Ultrasound cavitation}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2015.12.015}, author = {Raut-Jadhav, Sunita and Pinjari, Dipak V. and Saini, Daulat R. and Sonawane, Shirish H. and Pandit, Aniruddha B.} } @article { ISI:000379456500042, title = {Intramolecular dehydrogenative coupling of 2,3-diaryl acrylic compounds: access to substituted phenanthrenes}, journal = {Journal of Organic Chemistry}, volume = {81}, number = {13}, year = {2016}, month = {JUL}, pages = {5663-5669}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A simple, facile, and environmentally benign intramolecular dehydrogenative coupling of various 1,2-diarylethylenes for the synthesis of phenanthrenes in excellent yield has been described. This new methodology uses ceric ammonium nitrate (CAN) as a promoter at room temperature and has been extended to intermolecular synthesis of biaryl compounds. The electron transfer from methoxyarene to cerium leads to cationic radical formation, which further proceeds to intramolecular coupling. Preliminary mechanistic investigation by EPR spectroscopy and density functional theory calculation suggested a similar view.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.6b00507}, author = {Gupta, Vijay and Rao, V. U. Bhaskara and Das, Tamal and Vanka, Kumar and Singh, Ravi P.} } @article { ISI:000367940900010, title = {Inverse high internal phase emulsion polymerization (i-HIPE) of GMMA, HEMA and GDMA for the preparation of superporous hydrogels as a tissue engineering scaffold}, journal = {Journal of Materials Chemistry B}, volume = {4}, number = {3}, year = {2016}, month = {NOV}, pages = {450-460}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A series of novel superporous hydrogels for regenerative medicine were prepared by oil-in-water (o/w) or inverse high internal phase emulsion (i-HIPE) copolymerization of glycerol monomethacrylate (GMMA), 2-hydroxy ethyl methacrylate (HEMA) and glycerol dimethacrylate (GDMA) as a cross-linker using a non toxic solvent and a redox initiator system at the physiological temperature (37 degrees C). The monomer GMMA was synthesized from glycidyl methacrylate (GMA) by an alternative facile method using Amberlyst-15. The described i-HIPEs showed a significantly wider stability window. The polyHIPE hydrogels were characterized by FTIR, BET method for surface area, mercury porosimetry, SEM, DSC, TGA, XRD, compressive strain and strain recovery. The swelling ratio of the hydrogels and their degradation in 0.007 M NaOH and lipase B (Candida antarctica) solutions were determined gravimetrically and the rate of degradation was explained in terms of the molecular structure of the hydrogels. The morphological studies showed that the pore diameter varied between 20 and 30 mu m and the pore throats (interconnecting windows) diameter was in the range of 4-8 mu m. The described polyHIPE hydrogels were found to have an open cell morphology and interconnected pore architecture, which are important characteristics for scaffold applications. The initial cytotoxicity study performed according to ISO-10993-5 indicated cytocompatibility (97\% cell viability) and the subsequent cell seeding and proliferation study exhibited 55-88\% cell viability (increased monotonously from GHG-1 to GHG-5), which could be attributed to modulation of the physical and chemical properties of the hydrogels. The described super porous hydrogels are considered as potential candidates for scaffold materials in tissue engineering applications.

}, issn = {2050-750X}, doi = {10.1039/c5tb01873k}, author = {Nalawade, Archana C. and Ghorpade, Ravindra V. and Shadbar, Sadiqua and Qureshi, Mohammed Shadbar and Chavan, Nayaku and Khan, Ayesha A. and Ponrathnam, S.} } @article {43618, title = {Inverse problem studies of biochemical systems with structure identification of S-systems by embedding training functions in a genetic algorithm}, journal = {Mathematical Biosciences}, volume = {275}, year = {2016}, month = {MAY}, pages = {93-106}, abstract = {An efficient inverse problem approach for parameter estimation, state and structure identification from dynamic data by embedding training functions in a genetic algorithm methodology (ETFGA) is proposed for nonlinear dynamical biosystems using S-system canonical models. Use of multiple shooting and decomposition approach as training functions has been shown for handling of noisy datasets and computational efficiency in studying the inverse problem. The advantages of the methodology are brought out systematically by studying it for three biochemical model systems of interest. By studying a small-scale gene regulatory system described by a S-system model, the first example demonstrates the use of ETFGA for the multifold aims of the inverse problem. The estimation of a large number of parameters with simultaneous state and network identification is shown by training a generalized S-system canonical model with noisy datasets. The results of this study bring out the superior performance of ETFGA on comparison with other metaheuristic approaches. The second example studies the regulation of cAMP oscillations in Dictyostelium cells now assuming limited availability of noisy data. Here, flexibility of the approach to incorporate partial system information in the identification process is shown and its effect on accuracy and predictive ability of the estimated model are studied. The third example studies the phenomenological toy model of the regulation of circadian oscillations in Drosophila that follows rate laws different from S-system power-law. For the limited noisy data, using a priori information about properties of the system, we could estimate an alternate S-system model that showed robust oscillatory behavior with predictive abilities. (C) 2016 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.mbs.2016.02.014}, author = {Sarode, Ketan Dinkar and Kumar, V. Ravi and Kulkarni, B. D.} } @inbook {45863, title = {Ion exchange resin catalyzed reactions-An overview}, booktitle = {Industrial catalytic processes for fine and specialty chemicals}, year = {2016}, pages = {393-426}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, abstract = {This chapter gives an overview of ion exchange resins as catalyst for a variety of reactions. Emphasis is placed on the use of resin as a catalyst rather than on reactions. Various aspects of resin catalysis, such as types of reactions where resin can be used, the physical form of resin and activity, and issues pertaining to its application as a catalyst are discussed. Advantages and disadvantages of resins as catalyst for different types of reactions are highlighted. Aspects like reactor configurations, selection of resin, process integration, process separations and the environmental impact of using resins as catalysts are also included. Possible future developments in the ion exchange catalysis area are also highlighted.}, issn = {978-012801457-8}, doi = {10.1016/B978-0-12-801457-8.00009-4}, author = {Bhandari, V. M. and Sorokhaibam, L. G. and Ranade, V. V.} } @article { ISI:000379438200023, title = {Ionic liquids catalyzed lignin liquefaction: mechanistic studies using TPO-MS, FT-IR, RAMAN and 1D, 2D-HSQC/NOSEY NMR}, journal = {Green Chemistry}, volume = {18}, number = {14}, year = {2016}, month = {APR}, pages = {4098-4108}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Valorization of a profusely available alternate resource, biomass and in particular its 3-D intricate component lignin into low molecular weight aromatic products are used as platform chemicals and fuel additives, and developing a low temperature catalytic process is imperative in preserving atom efficiency. Ionic liquids, due to their unique properties, offer an advantage to develop such methods under milder conditions. Herein, we show use of -SO3H functionalized imidazolium based various recyclable Bronsted acidic ionic liquids (BAILs) in catalytic quantity under ambient pressure at 120 degrees C for depolymerization of lignin (60 000 g mol(-1)) into THF soluble products with high efficiency (78\% yield, 95\% +/- 5\% mass balance). The decoding of this efficiency by 1D and 2D (HSQC/NOSEY) NMR, FT-IR and RAMAN studies exemplify that the -OH group(s) interact with the electron deficient BAIL cation. The mechanistic insights unraveled in this study open a plethora of opportunities to design catalysts for developing efficient processes.

}, issn = {1463-9262}, doi = {10.1039/c6gc00771f}, author = {Singh, Sandip K. and Dhepe, Paresh Laxmikant} } @article { ISI:000372676800002, title = {Isolates of alpinia officinarum hance as COX-2 inhibitors: evidence from anti-inflammatory, antioxidant and molecular docking studies}, journal = {International Immunopharmacology}, volume = {33}, year = {2016}, month = {APR}, pages = {8-17}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Background: Inflammation triggered by oxidative stress can cause various ailments, such as cancer, rheumatoid arthritis, asthma, diabetes etc. In the last few years, there has been a renewed interest in studying the antioxidant and anti-inflammatory action of plant constituents such as flavonoids and diarylheptanoids. Aim: To evaluate the antioxidant, anti-inflammatory activity and the total phenolic content of isolated compounds from Alpinia officinarum rhizomes. Furthermore, molecular docking was performed to study the binding mode of these compounds into the active site of cyclooxygenase-2 (COX -2). Methods: A. officinarum rhizomes were extracted by maceration, using methanol. This extract was further fractionated by partitioning with hexane, chloroform and ethyl acetate and these fractions on further purification resulted in isolation of five pure compounds. Characterization was carried out by using H-1 NMR, C-13 NMR and MS. They were further evaluated for antioxidant and anti-inflammatory activity using carrageenan-induced paw edema model in rats. Molecular docking study was performed using Glide module integrated in Schrodinger molecular modeling software. Results: The compounds were identified as 1,7-diphenylhept-4-en-3-one (1), 5-hydroxy-1,7-diphenyl-3-heptanone (2), 3,5,7-trihydroxyflavone (Galangin, 3), 3,5,7-trihydroxy-4{\textquoteright}-methoxyflavone (Kaempferide, 4) and 5-hydroxy-7-(4 {\textquoteleft}{\textquoteright}-hydroxy-3 {\textquoteleft}{\textquoteright}-methoxyphenyl)-1-phenyl-3-heptanone (5). The compound-3 and compound-5 (10 mg/kg) showed significant (p \< 0.001) antioxidant and anti-inflammatory potential. Moreover, total phenolic content was detected as 72.96 mg and 51.18 mg gallic acid equivalent respectively. All the five isolates were found to be good binders with COX-2 (average docking score -9.03). Conclusions: Galangin and 5-hydroxy-7-(4 {\textquoteleft}{\textquoteright}-hydroxy-3 {\textquoteleft}{\textquoteright}-methoxyphenyl)-1-phenyl-3-heptanone exhibited anti-inflammatory and in-vitro antioxidant activity which may be due to presence of phenolic content in it. The molecular docking study revealed that these compounds have affinity towards COX-2 active site which can further be explored as selective COX-2 inhibitors. The results obtained in this work justify the use of A. officinarum in the treatment of inflammatory disorders like rheumatoid arthritis and inflammatory bowel diseases. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {5-Hydroxy-7-(4 {\textquoteleft}{\textquoteright}-hydroxy-3 {\textquoteleft}{\textquoteright}-methoxyphenyl)-1-phenyl-3-heptanone, Alpinia officinarum, Anti-inflammatory, Antioxidant, COX-2 inhibitors, Galangin}, issn = {1567-5769}, doi = {10.1016/j.intimp.2016.01.024}, author = {Honmore, Varsha S. and Kandhare, Amit D. and Kadam, Parag P. and Khedkar, Vijay M. and Sarkar, Dhiman and Bodhankar, Subhash L. and Zanwar, Anand A. and Rojatkar, Supada R. and Natu, Arun D.} } @article { ISI:000381328300009, title = {Isolation and characterization of new lignin streams derived from extractive-ammonia (EA) pretreatment}, journal = {Green Chemistry}, volume = {18}, number = {15}, year = {2016}, month = {AUG}, pages = {4205-4215}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

One of the key challenges facing lignin conversion to fuels and chemicals is related to the level of carbohydrate and ash impurities found in extracted lignin. Structural modifications of lignin may also occur as a result of biomass pretreatment and harsh lignin extraction protocols. Extractive-Ammonia (EA) is a new pretreatment technology that uses liquid ammonia to cleave lignin-carbohydrate complexes, decrystallize cellulose, solubilize lignin, and selectively extract Lignin from lignocellulosic biomass, enabling better utilization of both lignin and carbohydrate components in a biorefinery. The EA-based biorefinery produces two different lignin-rich streams, with different properties, that could potentially be upgraded to fuels and chemicals using green processes. In this work, a water/ethanol-based fractionation method was developed to enrich the ammonia-soluble extractives, resulting in a major product stream containing 92\% lignin. Detailed characterization of the various streams resulting from EA treatment, including compositional analysis, structural characterization by nuclear magnetic resonance (NMR) spectrometry, elemental analysis, molecular weight analysis, and thermo-gravimetric analysis provides a broad evaluation of the EA derived lignin product stream structures and properties, assessing their potential for commercial applications. In summary, EA-derived lignins preserve much of lignin{\textquoteright}s functionality, including the sensitive (3-aryl ether units. Nitrogen incorporation was observed in the lignin-rich streams, notably due to the presence of hydroxycinnamoyl amides formed during ammonia pretreatment.

}, issn = {1463-9262}, doi = {10.1039/c6gc00298f}, author = {Sousa, Leonardo da Costa and Foston, Marcus and Bokade, Vijay V. and Azarpira, Ali and Lu, Fachuang and Ragauskas, Arthur J. and Ralph, John and Dale, Bruce E. and Balan, Venkatesh} } @article {45864, title = {Isolation and virtual screening of antimicrobial prodigiosin pigment from oxalotrophic Serratia marcescens OX_R strain}, journal = {Journal of Applied Pharmaceutical Science}, volume = {6}, year = {2016}, month = {NOV}, pages = {052-058}, type = {Article}, abstract = {Prodigiosin a multifaceted secondary metabolite produced by Serratia spp. having great potential as a pharmaceutical. In the present study we demonstrate that oxalate supplementation in peptone glycerol production media increased organoleptic characters and yield of prodigiosin pigment extracted from oxalotrophic Serratia marcescens OX_R isolated from Indian bat guano sample. The pigment was demonstrated in-vitro as an antibacterial agent against common opportunistic skin surface pathogen Staphylococcus aureus NCIM 5021 strain as killing activity by agar well diffusion method. The docking analysis and pharmacophore modelling indicated that the probable mechanism of action of the prodigiosin was against Staphylococcus aureus DNA gyrase protein. The pigment was also found to efficiently dye both cotton and latex polymer. In summary, we describe here an oxalotrophic Serratia marcescens which may serve as a potent and economical resource of prodigiosin which owing to its dyeing and anti-bacterial activities finds future avenues to be developed as dressing material for nosocomial subjects or burn victim patients.}, doi = {10.7324/JAPS.2016.601108}, author = {Suryavanshi, M. V. and Waghmode, S. R. and Bharti, N. and Choudhari, P. B. and Hingamire, T. B. and Shouche, Y. S.} } @article {42932, title = {Isolation of lignin by organosolv process from different varieties of rice husk: Understanding their physical and chemical properties}, journal = {Bioresource Technology}, volume = {221}, year = {2016}, month = {SEP}, pages = {310{\textendash}317}, doi = {10.1016/j.biortech.2016.09.042}, author = {Singh, Sandip K. and Dhepe, Paresh Laxmikant} } @article {42663, title = {Large reduction in the magnitude and thermal variation of Frank elastic constants in a gold nanorod/nematic composite}, journal = {Journal of Physics D: Applied Physics}, volume = {49}, year = {2016}, month = {SEP}, abstract = {

We report measurements of splay and bend Frank elastic constants in a composite comprising a nematic liquid crystal doped with a small concentration of sterically stabilized gold nanorods. The composite exhibits not only a large reduction in the magnitude of the threshold voltage for switching (Vth, 20\%), as well as of the splay (K11, 40\%) and bend (K33, 40\%) elastic constants, but also presents an unprecedented feature: a substantial diminution in the temperature dependence of these parameters, almost to the point of becoming thermally invariant. This observation is significant because the electro-optic switching of liquid-crystal devices is largely controlled by the K11 and K33 elastic constants. Electrical conductivity measurements also show interesting behavior upon the inclusion of nanorods. Whereas the intrinsic Arrhenius behavior governing the temperature dependence is enhanced, the frequency dependence shows qualitative features of Jonscher{\textquoteright}s universal model, albeit with a higher exponent. Further, photoisomerization of an azobenzene guest component provides an additional influence on the elastic constants. The results are discussed in terms of (a) the effect of the order parameter dependence seen from the viewpoint of an extended mean-field model,and (b) local order. The advantage of incorporating nanorods with photofunctionality is also pointed out.

}, doi = {10.1088/0022-3727/49/42/425304}, author = {Madhuri, P. Lakshmi and Prasad, S.~Krishna and Shinde, Pravin~ and Bhagavatula L. V. Prasad} } @article { ISI:000382349600001, title = {Large trisoctahedral Au nanoparticles encapsulated inside porous silica catalyses CO oxidation at room temperature: probing the effect of encapsulation and the role of step atoms and interfaces}, journal = {Applied Catalysis A-General}, volume = {524}, year = {2016}, month = {AUG}, pages = {1-7}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

As envisaged, a synthesis strategy is reported for encapsulating high index faceted trisoctahedral Au nanoparticles inside porous silica to preserve nanoparticle size by preventing sintering. Further, to probe the role of interfaces an active metal oxide junction was created by decorating trisoctahedral (TOH) Au nanoparticle with nano oxides before silica encapsulation. The activity of these catalysts was tested for CO oxidation reaction. The reaction was found to be facile on these encapsulated large structured Au nanoparticles showing appreciable activity at room temperature compared to non encapsulated counterparts. Apart from preventing sintering, the improved activity is demonstrated due to the retention of morphology and thereby the active centres due to encapsulation. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Defect sites, Encapsulation, High index facets, Metal-oxide active perimeter, Trisoctahedral Au nanoparticles}, issn = {0926-860X}, doi = {10.1016/j.apcata.2016.05.023}, author = {Sreedhala, S. and Maheshwari, Shruti and Betsy, K. J. and Vinod, C. P.} } @article {43625, title = {Laser exfoliation of 2D black phosphorus nanosheets and their application as a field emitter}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {NOV}, pages = {112103-112108}, abstract = {Highly crystalline two dimensional (2D) few layered black phosphorus (BP) nanosheets have been synthesized via a one step facile laser irradiation technique under optimized experimental conditions. The field emission investigations on the few layered black phosphorus nanosheets were carried out at the base pressure 1 x 10(-8) mbar. The morphological, elemental, optical, and structural analysis of the as-synthesized black phosphorus sample was carried out using SEM, AFM, EDAX, TEM, and Raman spectroscopy. The turn-on values of the BP nanosheets emitter were found to be significantly lower than that of earlier reports of BP nanosheets, graphene, and carbon nanotubes based field emitters due to the high field enhancement factor (beta) similar to 2986 associated with atomically thin/sharp edges of the BP nanosheets emitter. The emission current versus time plot depicts the good emission current stability with a pre-set value of 1 mu A for similar to 5 h duration. Our facile synthesis approach and the robust field emitter nature of the BP nanosheets makes them a potential candidate for a practical electron source in vacuum micro/nanoelectronic devices.}, doi = {10.1039/c6ra24526a}, author = {Suryawanshi, Sachin R. and More, Mahendra A. and Late, Dattatray J.} } @article {43575, title = {Laser shielding and thermal ablation characteristics of resorcinol formaldehyde/boronnitride composites for thermal protection systems}, journal = {Industrial \& Engineering Chemistry Research}, volume = {55}, year = {2016}, month = {OCT}, pages = {10645-10655}, abstract = {Resorcinol formaldehyde (RF) composites were modified by incorporating different weight ratios of hexagonal boron nitride (h-BN) through a novel in situ polymerization technique. Temperature modulated SAXS was used to understand the changes in polymer network due to h-BN addition. The ablation performance of RF BN composites was evaluated by pulsed laser and oxyacetylene torch tests. Linear ablation resistance under oxyacetylene conditions improved by 18\%. Laser ablation resistance increased by 44\%. The reasons for improved ablation resistance for RF BN composites were studied using XRD, FTIR, and XPS methods which indicated that h-BN undergoes phase transformation at higher temperatures and also displays typical floral assimilation leading to significant energy consumption. This results in improved ablation resistance. These findings could lead to fabrication of RF BN based thermal protection systems (TPS) having better protection capabilities.}, doi = {10.1021/acs.iecr.6b01443}, author = {Daniel, Alex and Badhe, Yutika and Srikanth, Ivaturi and Gokhale, Suresh and Balasubramanian, Kandasubramanian} } @article { ISI:000372981400010, title = {Ligand-free Pd catalyzed cross-coupling reactions in an aqueous hydrotropic medium}, journal = {Green Chemistry}, volume = {18}, number = {7}, year = {2016}, month = {NOV}, pages = {1898-1911}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple, efficient and ligand-free protocol for the Suzuki-Miyaura reaction and base-free Heck-Matsuda reactions under mild reaction conditions have been developed over palladium supported on activated carbon (Pd/C) in an aqueous hydrotropic solution. The catalyst Pd/C was fully characterized by TG-DTA, SEM, EDS, XRD, XPS, BET and ICP-AES analyses. This green methodology represents a cost-effective and operationally convenient method for the synthesis of a variety of biaryls, prochiral ketones, and acrylates under the conditions that are tolerant for a broad range of functional groups with good to excellent yields. The developed Pd/C-aqueous hydrotrope combined catalytic system is well suited for the 3R approach (reducible, robust, and recyclable) for different cross-coupling reactions without an appreciable loss of its activity.

}, issn = {1463-9262}, doi = {10.1039/c5gc02314a}, author = {Jadhav, Sanjay N. and Kumbhar, Arjun S. and Rode, Chadrashekhar V. and Salunkhe, Rajashri S.} } @article {45630, title = {Low band gap benzimidazole COF supported Ni3N as highly active OER catalyst}, journal = {Advanced Energy Materials}, volume = {6}, year = {2016}, month = {DEC }, pages = {Article No:1601189}, abstract = {

Covalent organic frameworks (COFs) have structures and morphologies closely resembling graphenes, whose modular construction permits atomiclevel manipulations. This, combined with their porous structure, makes them excellent catalyst supports. Here, the high electrocatalytic activity of a composite, formed by supporting Ni3N nanoparticles on a benzimidazole COF, for oxygen evolution reaction is shown. The composite oxidizes alkaline water with a near-record low overpotential of 230 mV @ 10 mA cm(-2) (eta(10)). This high activity is attributed to the ability of the COF to confine the Ni3N nanoparticles to size regimes otherwise difficult to obtain and to its low band gap character (1.49 eV) arising from the synergy between the conducting Ni3N nanoparticles and the pi-conjugated COF. The COF itself, as a metalfree self-standing framework, has an oxygen evolution reaction activity with 10 of 400 mV. The periodic structure of the COF makes it serve as a matrix to disperse the catalytically active Ni3N nanoparticles favoring their high accessibility and thereby good charge-transport within the composite. This is evident from the amount of O-2 evolved (230 mmol h(-1) g(-1)), which, to the best of our knowledge, is the highest reported. The work reveals the emergence of COF as supports for electrocatalysts.

}, issn = {1614-6832}, doi = {10.1002/aenm.201601189}, author = {Nandi, Shyamapada and Singh, Santosh Kumar and Mullangi, Dinesh and Illathvalappil, Rajith and George, Leena and Vinod, Chathakudath P. and Kurungot, Sreekumar and Vaidhyanathan, Ramanathan} } @article { ISI:000369603400025, title = {Low frequency noise and photo-enhanced field emission from ultrathin PbBi2Se4 nanosheets}, journal = {Journal of Materials Chemistry C}, volume = {4}, number = {5}, year = {2016}, month = {DEC}, pages = {1096-1103}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Atomically thin two-dimensional layered materials have gained wide interest owing to their novel properties and potential for applications in nanoelectronic and optoelectronic devices. Here, we present the spectral analysis and photo-enhanced field emission studies of a layered intergrowth PbBi2Se4 nanosheet emitter, performed at the base pressure of similar to 1 x 10(-8) mbar. The emitter shows a turn-on field value of similar to 4.80 V mu m(-1), corresponding to an emission current density of similar to 1 mu A cm(-2). Interestingly, when the cathode was illuminated with visible light, it exhibited a lower turn-on field of B3.90 V mm(-1), and a maximum emission current density of similar to 893 mu A cm(-2) has been drawn at an applied electric field of similar to 8.40 V mu m(-1). Furthermore, the photo-enhanced emission current showed reproducible, step-like switching behavior in synchronous with ON-OFF switching of the illumination source. The emission current-time plots reveal excellent stability over a duration of similar to 6 h. Low-frequency noise is a significant limitation for the performance of nanoscale electronic devices. The spectral analysis performed on a Fast Fourier Transform (FFT) analyzer revealed that the observed noise is of 1/f(alpha) type, with the value of alpha similar to 0.99. The low frequency noise, photo-enhanced field emission, and reproducible switching behavior characterized with very fast rise and fall times propose the layered PbBi2Se4 nanosheet emitter as a new promising candidate for novel vacuum nano-optoelectronic devices.

}, issn = {2050-7526}, doi = {10.1039/c5tc02993g}, author = {Suryawanshi, Sachin R. and Guin, Satya N. and Chatterjee, Arindom and Kashid, Vikas and More, Mahendra A. and Late, Dattatray J. and Biswas, Kanishka} } @article { ISI:000379314700006, title = {Low-overpotential electrocatalytic water splitting with noble-metal-free nanoparticles supported in a sp(3) n-rich flexible COF}, journal = {Advanced Energy Materials}, volume = {6}, number = {13}, year = {2016}, month = {JUL}, pages = {Article No. 1600110}, publisher = {WILEY-V C H VERLAG GMBH}, type = {Article}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Covalent organic frameworks (COFs) are crystalline organic polymers with tunable structures. Here, a COF is prepared using building units with highly flexible tetrahedral sp(3) nitrogens. This flexibility gives rise to structural changes which generate mesopores capable of confining very small (\<2 nm sized) non-noble-metal-based nanoparticles (NPs). This nanocomposite shows exceptional activity toward the oxygen-evolution reaction from alkaline water with an overpotential of 258 mV at a current density of 10 mA cm(-2). The overpotential observed in the COF-nanoparticle system is the best in class, and is close to the current record of approximate to 200 mV for any noble-metalfree electrocatalytic water splitting system-the Fe-Co-Ni metal-oxide-film system. Also, it possesses outstanding kinetics (Tafel slope of 38.9 mV dec(-1)) for the reaction. The COF is able to stabilize such small-sized NP in the absence of any capping agent because of the COF-Ni(OH)(2) interactions arising from the N-rich backbone of the COF. Density-functional-theory modeling of the interaction between the hexagonal Ni(OH)(2) nanosheets and the COF shows that in the most favorable configuration the Ni(OH)(2) nanosheets are sandwiched between the sp(3) nitrogens of the adjacent COF layers and this can be crucial to maximizing their synergistic interactions.

}, issn = {1614-6832}, doi = {10.1002/aenm.201600110}, author = {Mullangi, Dinesh and Dhavale, Vishal M. and Shalini, Sorout and Nandi, Shyamapada and Collins, Sean and Woo, Tom and Kurungot, Sreekumar and Vaidhyanathan, Ramanathan} } @article { ISI:000377003800038, title = {M. V. Bhatt (1924-2016)}, journal = {Current Science}, volume = {110}, number = {10}, year = {2016}, month = {MAY}, pages = {2026-2028}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, issn = {0011-3891}, author = {Shashidhar, M. S. and Periasamy, M.} } @article { ISI:000374196000022, title = {Mechanically tunable curcumin incorporated polyurethane hydrogels as potential biomaterials}, journal = {Chemistry of Materials}, volume = {28}, number = {7}, year = {2016}, month = {APR}, pages = {2120-2130}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report here on the one-pot synthesis and characterization of curcumin incorporated polyethylene glycol polyurethane (PU-CUR) hydrogels using PEG-4000, 4, 4{\textquoteright}-methylenebis (cyclohexyl isocyanate), curcumin in the presence of a cross-linker, 1,2,6 hexanetriol (HT). Besides the physical entrapment, curcumin also provides a partial cross linking in the 3-D structure of the hydrogel. The degree of swelling in hydrogels could be controlled by varying the amount of HT as well as curcumin. The structural characterization of hydrogels was performed using Fourier transform infrared spectroscopy, high-resolution mass spectrometry, UV and fluorescence spectroscopy. The wide-angle X-ray scattering studies revealed the existence of crystalline domains of PEG, and the small-angle X-ray scattering studies showed the presence of lamellar microstructures. Porous structure in the hydrogel was created by cryogenic treatment and lyophilization. Scanning electron microscopy and microcomputed tomography imaging of hydrogels showed the presence of interconnected pores. The mechanical strength of the hydrogels was measured using a universal testing machine. The observed tensile and breaking compression strengths for the equilibrium swollen gels were found to be in the range of 0.22-0.73 MPa and 1.65-4.6 MPa, respectively. Detailed in vitro biological experiments showed the biocompatibility of gels, cytostatic dosage of curcumin, selective toxicity toward cancer cell lines, and antibacterial property. These gels show promising applications as scaffolds and implants in tissue engineering.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.5b04964}, author = {Divakaran, Anumon V. and Azad, Lal Busher and Surwase, Sachin S. and Torris, Arun A. T. and Badiger, Manohar V.} } @article {45634, title = {Mechanistic and spectroscopic investigations of Ru3+-catalyzed oxidative degradation of azidothymidine by heptavalent manganese at environmentally relevant pH}, journal = {Desalination and Water Treatment}, volume = {57}, year = {2016}, month = {DEC}, pages = {28349-28362}, type = {Article}, abstract = {

The rapid increase in the population across the world has increased the consumption of pharmaceutical substances. These pharmaceutical substances have penetrated into the water through various ways. Mechanistic and spectroscopic investigations of Ru3+-catalyzed oxidative degradation of azidothymidine (AZT) by heptavalent manganese was studied for the first time. The values of pH-dependent apparent second-order rate constant show that Ru3+ accelerates the rate of the oxidative degradation of AZT by heptavalent manganese eight times faster than uncatalyzed reaction. Ru3+ catalytic oxidative degradation of AZT by heptavalent manganese was greatly depending on the pH. The removal of the AZT by heptavalent manganese in the presence of Ru3+ shows unit order with respect to heptavalent manganese, Ru3+, and AZT. The influences of dielectric constant, ionic strength, pH, addition of monomer, variation in catalyst concentration, etc. on the rate of the reaction were studied thoroughly and discussed in detail. The eight different products produced during the reaction were analyzed using the high-resolution mass spectrometry. Activation parameters were determined from variation in temperature during the reaction. The catalytic plausible mechanism was projected in which Ru3+ is oxidized to higher oxidation states of ruthenium by heptavalent manganese at environmentally relevant pH.

}, keywords = {Azidothymidine, catalysis, Degradation, Heptavalent manganese, kinetics, Mechanism}, issn = {1944-3994}, doi = {10.1080/19443994.2016.1187090}, author = {Kulkarni, Raviraj M. and Bhamare, Vijaykumar S. and Santhakumari, B.} } @article { ISI:000369665800035, title = {Mechanochemically synthesized covalent organic framework as a proton-conducting solid electrolyte}, journal = {Journal of Materials Chemistry A}, volume = {4}, number = {7}, year = {2016}, month = {JAN}, pages = {2682-2690}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Mechanochemistry has become an increasingly important synthetic tool for a waste-free environment. However, the poor quality of the so-derived materials in terms of their crystallinity and porosity has been their major drawback for any practical applications. In this report, we have for the first time successfully leveraged such characteristics to show that the mechanochemically synthesized bipyridine based covalent organic framework (COF) outperforms its conventional solvothermal counterpart as an efficient solid-state electrolyte in PEM fuel cells. Marking the first such attempt in COFs, a Membrane Electrode Assembly (MEA) fabricated using the mechanochemically synthesized COF was observed to inhibit the fuel crossover and build up a stable Open Circuit Voltage (OCV = 0.93 V at 50 degrees C), thereby establishing itself as an effective solid electrolyte material (with a proton conductivity of 1.4 x 10(-2) S cm(-1)), while the solvothermally synthesized COF proved ineffective under similar conditions.

}, issn = {2050-7488}, doi = {10.1039/c5ta10521h}, author = {Shinde, Digambar Balaji and Aiyappa, Harshitha Barike and Bhadra, Mohitosh and Biswal, Bishnu P. and Wadge, Pritish and Kandambeth, Sharath and Garai, Bikash and Kundu, Tanay and Kurungot, Sreekumar and Banerjee, Rahul} } @article {43595, title = {Minute-made activated porous carbon from agro-waste for Li-ion battery anode using a low power microwave oven}, journal = {Electrochimica ACTA}, volume = {212}, year = {2016}, month = {SEP}, pages = {535-544}, abstract = {We demonstrate a very simple, cost-effective and superfast process for making Li-ion battery (LIB) anode grade carbon from agro-waste in the form of sugarcane bagasse using a low power microwave system. Activation of this bagasse derived carbon is carefully optimized by using various weight ratios of KOH to obtain the desired properties of functional carbon in terms of porosity and electrical conductivity. Low equivalent series resistance (ESR), low charge transfer resistance with good electrical conductivity, and optimum porosity for efficient ion diffusion make this carbon a good candidate for Li-ion battery anode material rendering a reversible capacity of 757 mAhg (1) at a current density of 100 mAg (1) and a good cycling performance at high current rates. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.electacta.2016.07.011}, author = {Agarkar, Shruti and Yadav, Poonam and Fernandes, Rohan and Kothari, Dushyant and Suryawanshi, Anil and Ogale, Satishchandra} } @article { ISI:000370101800013, title = {Mixing studies in unbaffled stirred tank reactor using electrical resistance tomography}, journal = {Flow Measurement and Instrumentation}, volume = {47}, year = {2016}, month = {MAR}, pages = {110-121}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Unbaffled stirred tanks are extensively used in chemical process industries for variety of applications including semi-batch reactions. In un-baffled stirred tanks, impeller rotation generates a vortex and reactants are added into this vortex. There is a growing interest towards understanding the mixing performance of such unbaffled stirred vessels. The present work is aimed at providing experimental results on mixing time and solid particle distribution inside an unbaffled vessel using electrical resistance tomography (ERT). A methodology for using ERT for characterizing vortex and mixing in unbaffled stirred vessel was established. The ERT was used to measure the mixing time with and without solid particles (glass beads, 250 mu m) in a stirred reactor. In this study, ERT technique was effectively applied for imaging solid-liquid flow and developed suitable data processing methodologies. It observed that estimated liquid phase mixing time for Un-baffled vessel was more as compared to baffled vessel. Radial solid concentration profiles showed Gaussian distribution inside the vessel. The presented methodology of using ERT and experimental results will be useful for designing and estimating mixing and solid distribution in unbaffled stirred tanks. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {ERT, Mixing time, Radial solid concentration, Unbaffled stirred tank}, issn = {0955-5986}, doi = {10.1016/j.flowmeasinst.2016.01.003}, author = {Sardeshpande, Madhavi V. and Kumar, Gaurav and Aditya, T. and Ranade, Vivek V.} } @article {43444, title = {Molecular cloning and in silico studies of physiologically significant trehalase from drosophila melanogaster}, journal = {International Journal of Biological Macromolecules}, volume = {92}, year = {2016}, month = {NOV}, pages = {282-292}, abstract = {Trehalase, a physiologically important glycosidase is known for its crucial role in insect glycometabolism and stress recovery. The present study describes the molecular cloning of a gene fragment, encoding the catalytically active trehalase from Drosophila melanogaster (DmTre) and its heterologous expression in Escherichia coli. The 1275 bp gene was overexpressed in two different vectors viz., pET28a and pCOLD TF and investigated for variable soluble expression, purification and activity of the recombinant enzyme with optimum pH and temperature of enzyme as 6 and 55 degrees C, respectively. The sequence was characterized in silico by subjecting it to homology search, multiple sequence alignment and phylogenetic tree construction revealing its identity to other trehalases which belong to glycoside hydrolase family 37. The deduced amino acid sequence and modeled 3D structure of DmTre possessed all features of trehalase superfamily, including signature motifs and catalytic domain. The active site pocket of recombinant DmTre was compared with the crystal structure of E. coli trehalase identifying Glu424 and Asp226 as the putative catalytic residues. Additionally, enzyme-substrate docking suggests possible involvement of other residues in the catalysis along with Asp226. The present study holds significance in understanding the structural aspects of Drosophila trehalase in spite of unavailabilty of eukaryotic trehalase crystal structure. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.ijbiomac.2016.06.097}, author = {Shukla, Ekta and Thorat, Leena and Bhavnani, Varsha and Bendre, Ameya D. and Pal, J. K. and Nath, B. B. and Gaikwad, Sushama M.} } @article { ISI:000368702300006, title = {Molecular interaction of selected phytochemicals under the charged environment of Plasmodium falciparum chloroquine resistance transporter (PfCRT) model}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {34}, number = {2}, year = {2016}, month = {FEB}, pages = {290-303}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

Phytochemicals of Catharanthus roseus Linn. and Tylophora indica have been known for their inhibition of malarial parasite, Plasmodium falciparum in cell culture. Resistance to chloroquine (CQ), a widely used antimalarial drug, is due to the CQ resistance transporter (CRT) system. The present study deals with computational modeling of Plasmodium falciparum chloroquine resistance transporter (PfCRT) protein and development of charged environment to mimic a condition of resistance. The model of PfCRT was developed using Protein homology/analogy engine (PHYRE ver 0.2) and was validated based on the results obtained using PSI-PRED. Subsequently, molecular interactions of selected phytochemicals extracted from C. roseus Linn. and T. indica were studied using multiple-iterated genetic algorithm-based docking protocol in order to investigate the translocation of these legends across the PfCRT protein. Further, molecular dynamics studies exhibiting interaction energy estimates of these compounds within the active site of the protein showed that compounds are more selective toward PfCRT. Clusters of conformations with the free energy of binding were estimated which clearly demonstrated the potential channel and by this means the translocation across the PfCRT is anticipated.

}, keywords = {homology modeling, molecular dynamics, Plasmodium falciparum chloroquine, resistance transporter model}, issn = {0739-1102}, doi = {10.1080/07391102.2015.1028449}, author = {Patel, Saumya K. and Khedkar, Vijay M. and Jha, Prakash C. and Jasrai, Yogesh T. and Pandya, Himanshu A. and George, Linz-Buoy and Highland, Hyacinth N. and Skelton, Adam A.} } @article {45867, title = {Multifunctional copper dimer: structure, band gap energy, catalysis, magnetism, oxygen reduction reaction and proton conductivity}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {APR}, pages = {37515-37521}, type = {Article}, abstract = {A new dimeric copper complex namely, [Cu2(PDA)2(Ald)2(H2O)2]{\textperiodcentered}8H2O, 1, (where PDA = 2,4-pyridine dicarboxylic acid, Ald = aldrithiol) has been synthesized through a slow diffusion technique. Compound 1 is a molecular structure and assembled through H-bonding forming a supramolecular architecture. The CuO2N3 units bridged through an aldrithiol molecule to form the dimeric structure. The lattice water molecules are linked through H-bonding to form the decameric water cluster. The decameric water clusters are H-bonded to each other to form the 1D chain which resulted in excellent water stability and conduction of protons under humid conditions. Band gap energy and magnetic measurements show that compound 1 is a semiconductor and paramagnetic in nature. Further the compound is shown as a selective heterogeneous catalyst for styrene and cyclohexene epoxidation. This also shows a facile oxygen reduction reaction (ORR) and can be used as a promising Pt-free cathode in alkaline Direct Methanol Fuel Cells (DMFC). The present results suggest that compound 1 is a promising multifunctional material}, doi = {10.1039/C6RA05961A }, author = {Sarkar, D. and Chandra Rao, P. and Aiyappa, H. B. and Kurungot, S. and Mandal, S. and Ramanujam, K. and Mandal, S.} } @article { ISI:000380599800018, title = {Multi-gram scale synthesis of hunanamycin A, an antibiotic natural product from the marine source}, journal = {Tetrahedron Letters}, volume = {57}, number = {32}, year = {2016}, month = {AUG}, pages = {3662-3663}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A simple, practical, and biomimetic approach to access antibiotic natural product hunanamycin A starting from readily available inexpensive material Riboflavin is disclosed here. The present synthesis consists of three operationally simple, protecting group free steps and it is far superior when compared with the previous route. Using this route one can make multi-gram quantities of the natural product which will help in further biological assays, in particular exploring the potential of treating food infections. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Antibacterial, Biomimetic synthesis, Gram scale synthesis, Natural product, Riboflavin}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2016.07.003}, author = {Shingare, Rahul D. and Farhana, Sa Ada and Reddy, D. Srinivasa} } @article { ISI:000374073800014, title = {Naphthoquinone based chemosensor 2-(2 {\textquoteleft}-aminoethylpyridine)-3-chloro-1,4-naphthoquinone: detection of metal ions, X-ray -crystal structures and DFT studies}, journal = {Journal of Molecular Structure}, volume = {1114}, year = {2016}, month = {JUN}, pages = {132-143}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Naphthoquinone based Chemosensor 2; 2-(2{\textquoteright}-aminoethylpyridine)-3-chloro-1,4-napthoquinone have been synthesized and characterized. Chemosensor 2 crystallizes in the orthorhombic space group Pbcn and shows extensive intramolecular as well as intermolecular hydrogen bonding interactions. Each molecule of Chemosensor 2 showed interaction with five neighboring molecules via C-H center dot center dot center dot N, N-H center dot center dot center dot N, C-H center dot center dot center dot Cl and C-H center dot center dot center dot O interactions. Slipped pi-pi stacking interaction was observed in adjacent quinonoid and benzenoid rings. Chemosensor abilities of Chemosensor 2 ligand have been evaluated with metal ions viz. Cu2+, Ni2+, Zn2+, Co2+, Fe3+, Mn2+, Cr3+, Hg2+, La3+ and Cd2+ in methanol, methanol-water mixture and in presence of mild base triethylamine. Stoichiometry of Chemosensor 2 with metal ions such as Cu2+, Ni2+, Zn2+ and Co2+ ions was determined by Jobs method in methanol and were found as 1:1 for Cu2+ and 2:1 for Ni2+, Zn2+ Co2+. The variation in the metal ligand ratio is observed in aqueous media for Cu2+. Chemosensor 2 can be used selectively for naked eye detection of Cu2+ ions. The association constant obtained in methanol shows the trend Cu2+\>Ni2+\>Co2+. Cu2+ and two (Ni-1 and Ni-2) Ni2+ complexes were synthesized. Ni-2 complex showed coordination of Chemosensor 2 ligands was through pyridine nitrogen{\textquoteright}s only. The Chemosensor 2 and its deprotonated forms in methanol, water and triethylamine were also studied by TD-DFT studies. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Aminonaphthoquinone, Chemosensor, hydrogen bonding, Naphthoquinone, pi-pi stacking, TD-DFT}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2016.02.065}, author = {Patil, Amit and Ware, Anuja P. and Bhand, Sujit and Chakravarty, Debamitra K. and Gonnade, Rajesh G. and Pingale, Subhash S. and Salunke-Gawali, Sunita} } @article {42936, title = {Naturally occurring anti-TB agents: isolation, chemical transformations and in vitro antitubercular activities of secondary metabolites of rhizomes of alpinia galanga}, journal = {Planta Medica International Open}, volume = {3}, year = {2016}, month = {SEP}, pages = {e55-e59}, abstract = {

A bioactivity-guided chemical examination of the acetone extract of the rhizomes of Alpinia galanga led to the isolation of six sec-ondary metabolites, eucalyptol derivative (1)andphenylpropa-noids (2{\textendash}6). The structures of all of the isolated compounds (1{\textendash}6)wereelucidatedonthebasisoftheirspectraldata.Theisolatedcompounds (1{\textendash}6)werein vitro assayed against active and dor-mant phenotypes of Mycobacterium tuberculosis H37Ra, respec-tively. Interestingly, 1'S-1'-acetoxychavicol acetate (2)showedgood antitubercular activities against both active and dormantphenotypes of M. tuberculosis with IC50 values of 1.04 {\textmu}M and2.69 {\textmu}M, respectively. Tsuji-Trost and homodimerization reac-tions of the active compound (2)respectivelyresultedinthefor-mation of two analogues, 7and 8.Bothofthesesynthesizedana-logues were also found to be active in vitro against active [IC50 sof3.24 and 3.87 {\textmu}M, respectively, for compounds 7and 8]anddor-mant [IC50 sof8.33and2.41{\textmu}M,respectively,forcompounds7and 8]phenotypesofM. tuberculosis H37Ra, respectively.

}, doi = {10.1055/s-0042-112226}, author = {Valkute, Tushar R. and Arkile, Manisha A. and Sarkar, Dhiman and Bhattacharya, Asish K.} } @conference {43045, title = {Network structure and enzymatic evolution in Leishmania metabolism: a computational study}, booktitle = {Proceedings of the International Symposium on Mathematical and Computational Biology-BIOMAT 2015}, year = {2016}, month = {JUN}, publisher = {World Scientific }, organization = {World Scientific }, address = {Roorkee, Uttarakhand, India}, doi = {10.1142/9789813141919_0001 }, author = {Subramanian, Abhishek and Sarkar, Ram Rup} } @article {43624, title = {Nevirapine loaded core shell gold nanoparticles by double emulsion solvent evaporation: invitro and in vivo evaluation}, journal = {Current Drug Delivery}, volume = {13}, year = {2016}, month = {JAN}, pages = {1071-1083}, abstract = {Background: HIV/AIDS is a macrophage resident infection localized in the reticuloendothelial system and remote locations of brain and bone marrow. We present core shell nanoparticles of gold(AuNPs) and nevirapine(NVP) for targeted delivery to the multiple HIV reservoirs. The aim of the study was to design core shell NVP loaded AuNPs with high drug loading and to evaluate biodistribution of the nanoparticles in possible HIV reservoirs in vivo. A specific objective was to assess the possible synergy of AuNPs with NVP on anti-HIV activity in vitro. Method: Core shell nanoparticles were prepared by double emulsion solvent evaporation method and characterized. Results: Glyceryl monostearate-nevirapine-gold nanoparticles(GMS-NVP-AuNPs) revealed high entrapment efficiency (> 70\%), high loading (similar to 40\%), particle size < 250 nm and zeta potential -35.9 +/- 1.41mv and exhibited sustained release with good stability. Surface plasmon resonance indicated shell formation while SEM coupled EDAX confirmed the presence of Au. TEM confirmed formation of spherical core shell nanoparticles. GMS-NVP-AuNPs revealed low hemolysis (< 10 \%) and serum stability upto 6 h. GMS-NVP-AuNPs exhibited rapid, high and sustained accumulation in the possible HIV reservoir organs, including the major organs of liver, spleen, lymph nodes, thymus and also remote locations of brain, ovary and bone marrow. High cell viability and enhanced uptake in PBMC{\textquoteright}s and TZM-bl cells were observed. While uptake in PBMC{\textquoteright}s proposed monocytes/macrophages enabled brain delivery. GMS-NVP-AuNPs demonstrated synergistic anti-HIV activity. Conclusion: The superior anti-HIV activity in vitro coupled with extensive localization of the nanoparticles in multiple HIV reservoirs suggests great promise of the core shell GMS-NVP-AuNPs for improved therapy of HIV.}, doi = {10.2174/1567201813666160114093005}, author = {Dalvi, Bhagyashree R. and Siddiqui, Ejaz A. and Syed, Asad S. and Velhal, Shilpa M. and Ahmad, Absar and Bandivdekar, Atmaram B. and Devarajan, Padma V.} } @article {42949, title = {New dinor-cis-labdane diterpene and flavonoids with antimycobacterium activity from colebrookea oppositifolia}, journal = {Planta Medica Letters}, volume = {3}, year = {2016}, month = {MAR}, pages = {e20-e24}, abstract = {

The new 14,15-dinor-cis-labdane diterpene, named (+)-14,15-dinor-9α-hydroxy-cis-labd-11(E)-en-13-one (1), was isolated from the acetone extract of the aerial parts of Colebrookea oppositifolia, along with the known compounds alnustin (2), mosloflavone (3), flindulatin (4), 5,6,7-trimethoxy baicalein (5), tanetin (6), scutellarein 4'-methyl ether (7), apigenin (8), caffeic acid (9), anisofolin A (10), apigetrin (11), and forsythoside A (12). Structures of the new and known compounds were established by detailed analysis of 1D and 2D nuclear magnetic resonance studies. The isolated compounds 1{\textendash}12 were evaluated for their antimycobacterium activity against Mycobacterium tuberculosis H37Ra and Mycobacterium bovis in both dormant and active phases. Compounds 1, 7, and 8 exhibited inhibitory activity against M. tuberculosis with IC50 values in the range of 8.1{\textendash}55.0 {\textmu}M (MIC 14.4{\textendash}119.7 {\textmu}M) in the active phase and 7.4{\textendash}43.5 {\textmu}M (MIC 11.5{\textendash}123.3 {\textmu}M) in the dormant phase. Similarly 1, 7, and 8 exhibited inhibitory activity against M. bovis with IC50 values in the range of 4.1{\textendash}98.5 {\textmu}M (MIC 13.7{\textendash}161.0 {\textmu}M) in the active phase and 4.1{\textendash}111.1 {\textmu}M (MIC 13.0{\textendash}166.4 {\textmu}M) in the dormant phase.

}, doi = {10.1055/s-0042-102200}, author = {Chinchansure, Ashish A. and Arkile, Manisha A. and Shinde, Dinesh R. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000368583100006, title = {New pimarane diterpenes and other antimycobacterial metabolites from anisochilus verticillatus}, journal = {Natural Product Research}, volume = {30}, number = {6}, year = {2016}, month = {MAR}, pages = {675-681}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Phytochemical investigation of the acetone extract of the aerial parts of Anisochilus verticillatus afforded a new 8,9-secopimarane diterpene (1), two new isopimarane diterpenes (2, 3) and the known ursolic acid (4), beta-amyrin (5), -amyrin (6), stigmast-5-en-3-one (7) and hydroxychavicol (8). Structures of the new compounds were elucidated with the help of 1D and 2D nuclear magnetic resonance spectroscopic data, and single crystal X-ray crystallography of compound 3. Compounds 2 and 8 inhibited Mycobacterium tuberculosis H37Ra with an IC50 of 11.3 (IC90 of 20.0g/mL) and 12.5g/mL, respectively. Correspondingly, molecular docking studies with Extra Precision Glide revealed a correlation between score and biological activity for these compounds to describe the molecular basis for the most significant SAR results.

}, keywords = {alanine racemase, Anisochilus verticillatus, antimycobacterial activity, diterpenes, Lamiaceae}, issn = {1478-6419}, doi = {10.1080/14786419.2015.1040990}, author = {Kulkarni, Roshan R. and Shurpali, Ketaki and Khedkar, Vijay M. and Puranik, Vedavati G. and Sarkar, Dhiman and Joshi, Swati P.} } @article { ISI:000374351200005, title = {Next-generation ammonia pretreatment enhances cellulosic biofuel production}, journal = {Energy \& Environmental Science}, volume = {9}, number = {4}, year = {2016}, month = {FEB}, pages = {1215-1223}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new liquid ammonia pretreatment methodology called Extractive Ammonia (EA) was developed to simultaneously convert native crystalline cellulose I-beta (CI) to a highly digestible cellulose IIII (CIII) allomorph and selectively extract up to B45\% of the lignin from lignocellulosic biomass with near-quantitative retention of all polysaccharides. EA pretreated corn stover yielded a higher fermentable sugar yield compared to the older Ammonia Fiber Expansion (AFEX) process while using 60\% lower enzyme loading. The EA process preserves extracted lignin functionalities, offering the potential to co-produce lignin-derived fuels and chemicals in the biorefinery. The single-stage EA fractionation process achieves high biofuel yields (18.2 kg ethanol per 100 kg untreated corn stover, dry weight basis), comparable to those achieved using ionic liquid pretreatments. The EA process achieves these ethanol yields at industrially-relevant conditions using low enzyme loading (7.5 mg protein per g glucan) and high solids loading (8\% glucan, w/v).

}, issn = {1754-5692}, doi = {10.1039/c5ee03051j}, author = {Sousa, Leonardo da Costa and Jin, Mingjie and Chundawat, Shishir P. S. and Bokade, Vijay V. and Tang, Xiaoyu and Azarpira, Ali and Lu, Fachuang and Avci, Utku and Humpula, James and Uppugundla, Nirmal and Gunawan, Christa and Pattathil, Sivakumar and Cheh, Albert M. and Kothari, Ninad and Kumar, Rajeev and Ralph, John and Hahn, Michael G. and Wyman, Charles E. and Singh, Seema and Simmons, Blake A. and Dale, Bruce E. and Balan, Venkatesh} } @article { ISI:000369072900005, title = {N-heterocyclic-carbene-catalyzed regioselective oxidative ring-opening of epoxides with aromatic aldehydes: a facile entry to alpha-acyloxyketones}, journal = {Asian Journal of Organic Chemistry}, volume = {5}, number = {1}, year = {2016}, month = {JAN}, pages = {48-51}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

A high-yielding synthesis of -acyloxyketones using a N-heterocyclic-carbene (NHC)-catalyzed, oxidative ring-opening of epoxides with aromatic aldehydes is described. This regioselective, oxidative process utilizes a N-bromosuccinimide (NBS)/DMSO combination as the oxidant system and Et3N as the base under mild reaction conditions.

}, keywords = {aldehydes, epoxides, halogen oxidants, N-heterocyclic carbenes, oxygen}, issn = {2193-5807}, doi = {10.1002/ajoc.201500355}, author = {Reddi, Rambabu N. and Gontala, Arjun and Prasad, Pragati K. and Sudalai, Arumugam} } @article {42696, title = {Nickel-catalyzed direct alkynylation of C(sp2)-H bonds of amides: an {\textquotedblleft}inverse sonogashira strategy{\textquotedblright} to ortho-alkynylbenzoic acids. just accepted}, journal = {Catalysis Science \& Technology}, volume = {6}, year = {2016}, month = {OCT}, pages = {1946-1951}, abstract = {

Nickel-catalyzed direct alkynylation of C(sp2){\textendash}H bonds of amides using commercially available, inexpensive 8-aminoquinoline as a removable bidentate directing group is described. The present ortho-alkynylation has a broad substrate scope, functional group tolerance and high regiocontrol, and can be scaled up. The efficiency and selectivity of this strategy provide sustainable routes to a diverse array of ortho-alkynylbenzoic acids under Ni(II)-catalyzed conditions.

}, doi = {10.1039/C5CY01299F}, author = {Landge, Vinod Gokulkrishna and Shewale, Chinmay H. and Jaiswal, Garima and Sahoo, Manoj Kumar and Midya, Siba Prasad and Balaraman, Ekambaram} } @article { ISI:000382652800001, title = {Non-catalytic deep desulphurization process using hydrodynamic cavitation}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {SEP}, pages = {Article Number: 33021}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

A novel approach is developed for desulphurization of fuels or organics without use of catalyst. In this process, organic and aqueous phases are mixed in a predefined manner under ambient conditions and passed through a cavitating device. Vapor cavities formed in the cavitating device are then collapsed which generate (in-situ) oxidizing species which react with the sulphur moiety resulting in the removal of sulphur from the organic phase. In this work, vortex diode was used as a cavitating device. Three organic solvents (n-octane, toluene and n-octanol) containing known amount of a model sulphur compound (thiophene) up to initial concentrations of 500 ppm were used to verify the proposed method. A very high removal of sulphur content to the extent of 100\% was demonstrated. The nature of organic phase and the ratio of aqueous to organic phase were found to be the most important process parameters. The results were also verified and substantiated using commercial diesel as a solvent. The developed process has great potential for deep of various organics, in general, and for transportation fuels, in particular.

}, issn = {2045-2322}, doi = {10.1038/srep33021}, author = {Suryawanshi, Nalinee B. and Bhandari, Vinay M. and Sorokhaibam, Laxmi Gayatri and Ranade, Vivek V.} } @article { ISI:000373739700035, title = {Novel tetrazoloquinoline-rhodanine conjugates: highly efficient synthesis and biological evaluation}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {9}, year = {2016}, month = {MAY}, pages = {2278-2283}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In search of new active molecules against Mycobacterium tuberculosis (MTB) H37Ra and Mycobacterium bovis BCG, a small focused library of rhodanine incorporated tetrazoloquinoline has been efficiently synthesized by using [HDBU][HSO4] acidic ionic liquid. The compound 3c found to be promising inhibitor of MTB H37Ra and M. bovis BCG characterized by lower MIC values 4.5 and 2.0 mu g/mL, respectively. The active compounds were further tested for cytotoxicity against HeLa, THP-1, A549 and PANC-1 cell lines using MTT assay and showed no significant cytotoxic activity at the maximum concentration evaluated. Again, the synthesized compounds were found to have potential antifungal activity. Furthermore, to rationalize the observed biological activity data, the molecular docking study also been carried out against a potential target Zmp1 enzyme of MTB H37Ra, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of in vitro and in silico study suggest that these compounds possess ideal structural requirement for the further development of novel therapeutic agents. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {antifungal, Antitubercular, Cytotoxicity, Docking study, Rhodanine derivatives}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.03.045}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Nawale, Laxman and Yeware, Amar and Sarkar, Dhiman and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Shingate, Bapurao B.} } @article {42941, title = {Novel tetrazoloquinoline-thiazolidinone conjugates as possible antitubercular agents: synthesis and molecular docking}, journal = {Medchemcomm}, volume = {7}, year = {2016}, month = {JUL}, pages = {1832-1848}, abstract = {

A novel approach for the synthesis of a new 4-thiazolidinone scaffold was developed by a one-pot three-component cyclocondensation of various tetrazolo quinoline aldehydes 1a-f, acid hydrazide 2a-c, and thioglycolic acid 3 in the presence of [DBUH].OAc] as a catalyst in high yields. All the conjugates were screened for their antimycobacterial activity against MTB H37Ra and M. bovis BCG strains, with the MIC values ranging from 0.99-13.55 mu mol mL(-1) and 0.14-20.11 mu mol mL(-1), respectively. The 4-thiazolidinone-incorporated tetrazoloquinoline derivatives 4a, 4d, 4g, 4j, 4m, and 4p were highly potent against MTB H37Ra and M. bovis BCG strains. The most active compounds were also evaluated for their cytotoxicity against MCF-7, A549, and HCT 116 cell lines and were found to be non-cytotoxic. Further, molecular docking studies into the active site of the InhA enzyme revealed a similar binding mode to the native ligand in the crystal structure, thereby helping us to understand the ligand-protein binding interaction and establish a structural basis for the inhibition of mycobacterium tuberculosis. The results suggest that the tetrazoloquinoline-thiazolidinone conjugates 4a, 4d, 4g, 4j, 4m, and 4p are promising antitubercular agents.

}, doi = {10.1039/c6md00278a}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Shingate, Bapurao B. and Nawale, Laxman and Sarkar, Dhiman and Khedkar, Vijay M.} } @article { ISI:000375445700073, title = {Observation of enhanced field emission properties of Au/TiO2 nanocomposite}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {122}, number = {5}, year = {2016}, month = {MAY}, pages = {560}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Simple and low-cost method of thermal annealing was used to decorate Gold (Au) nanoparticles on aligned TiO2 nanotubes. The aligned TiO2 nanotubes were decorated by Au nanoparticles with an average diameter of 9, 18 and 28 nm (aligned TiO2 nanotubes referred as specimen A and TiO2 nanotubes decorated by Au nanoparticles with average diameter of 9, 18 and 28 nm are referred as specimen B, C and D, respectively). The detailed characterization such as structural, morphological and elemental analysis of TiO2 and Au/TiO2 nanocomposite have been carried out using X-ray diffraction, field emission scanning electron microscope, transmission electron microscope, X-ray photoelectron spectroscopy and Raman spectroscopy. Furthermore, the meticulous comparative field emission characteristics of the aligned TiO2 nanotubes and Au/TiO2 nanocomposite have been performed. The turn-on field defined for the current density of 10 mu A/cm(2) has been found to be 3.9, 2.8, 3.2 and 3.7 V/mu m for specimen A, B, C and D, respectively. The observed low turn-on field of specimen B has been found to be superior than the other semiconducting nanocomposites reported in the literature. The emission current stability over a period of 3 h is found to be better for all the specimens. To the best of our knowledge, a systematic field emission study of Au/TiO2 nanocomposite has not been explored. The observed superior field emission study of Au/TiO2 nanocomposite indicates their possible use in micro/nanoelectronic devices.

}, issn = {0947-8396}, doi = {10.1007/s00339-016-0090-z}, author = {Patil, Girish P. and Bagal, Vivekanand S. and Suryawanshi, Sachin R. and Late, Dattatray J. and More, Mahendra A. and Chavan, Padmakar G.} } @article {43600, title = {Olfactory stimulation of apis cerana indica towards different doses of volatile constituents: SEM and EAG approaches}, journal = {Journal of Asia-Pacific Entomology}, volume = {19}, year = {2016}, month = {SEP}, pages = {847-859}, abstract = {Morphological and peripheral olfactory responses of antennal chemosensilla of Apis cerana indica, worker honeybee, to commonly occurring plant volatiles were recorded using SEM and EAG techniques, respectively. The antennae of A. cerana indica reveal the predominance of olfactory sensilla besides gustatory and mechanoreceptor cells. Ten different types of olfactory sensilla including sensilla basiconica, placodea type A and B, chaetica, coeloconica, coelocapitula, trichodea type A, B, C and D were reported. Of these, trichodea B and placodea A types were reported to be maximum. Responses to 47 commonly occurring plant volatiles (including 10 aromatic, 12 aliphatic, 04 green leaf volatile, 10 hydrocarbon monoterpene, 08 oxygenated monoterpenes and 03 sesquiterpenes compounds) were shown to elicit the response. Normalized EAG response, relative to the standard 1-hexanol, reveal significant differences between the chemicals and were concentration dependent. At 0.1 mg/mL dose, the largest amplitude was obtained with p-cymene (119.74 +/- 6.94) followed by cinnamaldehyde (97.07 +/- 4.94) and veratrol (92.99 +/- 7.82). Furthermore, at 1.0 mg/mL, maximum stimulation was reported with cinnamaldehyde (92.02 +/- 4.26) followed by phenethyl alcohol (86.02 +/- 2.63), benzyl alcohol (70.53 +/- 2.47), 2-heptanone (67.71 +/- 5.02) and 1-heptanol (67.56 +/- 2.8). Again, amplitude of the response was found to be maximum with cinnamaldehyde (115.59 +/- 6.73) followed by 1-heptanol (105.69 +/- 2.45) and citral (100.78 +/- 4.93) at 5.0 mg/mL, whereas, at 10.0 mg/mL, phenethyl alcohol (93.45 +/- 1.87) and 2-heptanone (93.14 +/- 1.85) showed highest stimulation followed by 2-pentanone (92.22 +/- 0.43). These documentations provide valuable information regarding how diversity in chemoreceptive antennal sensilla reveals better ability to sense a diversity of odors that are important cues to help honeybee distinguish among species of various flowering plants. (C) 2016 Korean Society of Applied Entomology, Taiwan Entomological Society and Malaysian Plant Protection Society. Published by Elsevier B.V. All rights reserved.}, doi = {10.1016/j.aspen.2016.07.014}, author = {Bhowmik, Biswanath and Lakare, Sachin and Sen, Ayalokiteswar and Bhadra, Kakali} } @article { ISI:000376695700026, title = {Organocatalytic route to enantioselective synthesis of ceramide trafficking inhibitor HPA-12}, journal = {Tetrahedron Letters}, volume = {57}, number = {22}, year = {2016}, month = {JUN}, pages = {2445-2447}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new organocatalytic approach to the synthesis of ceramide trafficking inhibitor HPA-12 has been described starting from phenacyl bromide. The strategy involves chiral CBS reduction of gamma-ketoester and proline-catalyzed alpha-amination reaction of aldehyde followed by reduction as the key chirality inducing steps. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {alpha-Amination, CBS reduction, Ceramide, Organocatalytic, Proline}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2016.04.087}, author = {Lalwani, Komal G. and Sudalai, Arumugam} } @article {43057, title = {Organofunctionalization of vanadium(III) acetylacetonate complex over aminofunctionalized SBA-15 for sulfoxidation reactions}, journal = {Advanced Porous Materials}, volume = {4}, year = {2016}, month = {DEC}, pages = {212-218}, publisher = {American Scientific Publishers}, abstract = {

Recyclable SBA-15 supported aminopropyl vanadium(III) acetylacetonate heterogeneous catalyst has been synthesized by covalent anchoring of vanadium(III) acetylacetonate over aminofunctionalized SBA-15 via. post grafting method, V(III)(acac)3NH2@SBA-15. The synthesized catalyst was characterized by elemental analysis, ICP-OES, XRD, N2 sorption analysis, FT-IR, 29Si NMR spectroscopy, XPS, SEM and TEM. The percentage of nitrogen and vanadium in V(III)(acac)3NH2@SBA-15 was determined by elemental analysis and ICP-OES, respectively. XRD and N2 sorption analyses provide the information about the structural integrity (Mesoporous structure) and textural properties of all synthesized catalysts. The presence and degree of organofunctionalization on SBA-15 were monitored by FT-IR and 29Si NMR spectroscopy, respectively. Moreover, the oxidation state and the chemical environment of vanadium metal in V(III)(acac)3NH2@SBA-15 were revealed by XPS spectroscopy. Eventually, the morphology and topographic information of the synthesized catalysts were confirmed by SEM and TEM imaging. The synthesized catalyst was evaluated in oxidation of various sulfides and the results show that V(III)(acac)3NH2@SBA-15 catalyst exhibits higher conversion and selectivity towards the sulfoxidation reaction compared to the neat V(III)(acac)3 complex and blank reaction. The synthesized catalyst was recycled four times.

}, doi = {10.1166/apm.2016.1118}, author = {Lazar, Anish and Sanjush, K. S. and Singh, A. P.} } @article { ISI:000367335200014, title = {Orientation effect induced selective chelation of Fe2+ to a glutamic acid appended conjugated polymer for sensing and live cell imaging}, journal = {Journal of Materials Chemistry B}, volume = {4}, number = {2}, year = {2016}, month = {DEC}, pages = {299-308}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Intracellular detection and imaging of labile iron(II) pools is very important in tracking physiological processes that demand new and rapid sensing probes. In this report, we present a water soluble polymer based probe for the fluorescence sensing and live cell imaging of labile Fe2+ ions with high selectivity for the first time. The polymer probe was based on conjugated polyfluorene which was appended with amino acid (L-glutamic acid). The biocompatibility of the polymer was confirmed from an MTT assay which demonstrated \>90\% cell viability even at 300 mu g ml(-1) loading of polymers. Simple glutamic acid did not show selectivity towards any of the divalent ions. However, glutamic acid appended polyfluorene exhibited selective chelation to Fe2+ ions resulting in immediate sensing activity for Fe2+ ions in water and living cells with fluorescence turn-off response. The limit of detection of the PF-Ph-GA polymer probe was 46 (+/- 2) nM which indicated high sensitivity for Fe2+ over other ions reported in the literature. The polymer also exhibited improved sensing activity in the range of intracellular pH (5-9) which is advantageous in differentiating endogenous changes. The probe was successfully applied for the fluorescence imaging of intracellular and supplemented labile iron(II) pools in living HeLa cells.

}, issn = {2050-750X}, doi = {10.1039/c5tb02293b}, author = {Senthilkumar, T. and Parekh, Nimisha and Nikama, Shrikant B. and Asha, S. K.} } @article {45826, title = {Oxidation of linezolid by permanganate in acidic medium: Pd(II) catalysis, kinetics and pathways}, journal = {Progress in Reaction Kinetics and Mechanism}, volume = {41}, year = {2016}, month = {OCT}, pages = {245-257}, type = {Article}, abstract = {

The uncatalysed and Pd(II)-catalysed oxidation of linezolid (LNZ) by permanganate (PMGT) in acidic medium was carried out in the pH range from 3.0 to 6.0. The second order rate constants were found to decrease with increase in pH. The apparent second order rate constants for the uncatalysed reaction were, for example, k {\textquoteleft}{\textquoteright}(app)= 6.32 dm(3) mol(-1) at pH 3.0 and k {\textquoteleft}{\textquoteright}(app). = 2.64 dm(3) mol(-1) s(-1) at pH 6.0 and at 25 +/- 0.2 degrees C and for the Pd(II)-catalysed reaction the total apparent second order rate constants were k {\textquoteleft}{\textquoteright}(app) = 75.5 dm(3) mol(-1) s(-1) at pH 3.0 and k {\textquoteleft}{\textquoteright}(app). = 45.66 dm(3) mol(-1) s(-1) at pH 6.0 and at 25 +/- 0.2 degrees C. The rate constant of the Pd(II)-catalysed reaction was thus ten times higher than for the uncatalysed reaction. The oxidation products of the reaction were identified using high resolution LC-MS. The reaction progresses via formation of a Pd-LNZ complex, which reacts with acidic PMGT to form an intermediate compound, which then decomposes to give oxidised products. The dependence of the rate of reaction on various parameters, such as pH, temperature, [LNZ], [PMGT], [Pd(II)], dielectric constant and ionic strength were studied and activation parameters for the reaction were evaluated and discussed.

}, issn = {1468-6783}, doi = {10.3184/146867816X14696298762238}, author = {Kulkarni, Raviraj M. and Hanagadakar, Manjunath S. and Malladi, Ramesh S. and Santhakumari, B. and Nandibewoor, Sharanappa T.} } @article {42843, title = {Oxidative intramolecular 1,2-amino-oxygenation of alkynes under Au(I)/Au(III)-catalysis: discovery of pyridinium-oxazole dyad as novel lonic fluorophore}, journal = {Angewandte Chemie International Edition}, year = {2016}, month = {JAN}, doi = {10.1002/anie.201609335R1}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh S. and Rajamohanan, Pattuparambil R. and Kulkarni, Prasad P. and Patil, Nitin T.} } @article {45829, title = {Oxidative transformation of antiretroviral drug zidovudine during water treatment with permanganate: reaction kinetics and pathways}, journal = {Desalination and Water Treatment}, volume = {57}, year = {2016}, month = {FEB}, pages = {24999-25010}, type = {Article}, abstract = {

The presence of the pharmaceutical substances in the water has been reported by many studies and has attracted attention across the world. The mechanistic insight into oxidation of antiretroviral drug zidovudine (ZDV) by potassium permanganate was investigated between the pH values 3.0 and 9.0. The pH-dependent second-order rate constants were determined and rate constants decreased with an increase in pH. The products of the reaction were identified by high-resolution mass spectrometry. A probable mechanism is proposed which involves the formation of an intermediate complex between permanganate and ZDV, which further undergoes degradation in subsequent fast steps to form various oxidized products. The different parameters like effect of initially added products, solvent polarity, ionic strength, temperature, and pH on the rate of the oxidative degradation of ZDV by permanganate were systematically studied. The various activation parameters were determined from the effect of variation in temperature on the oxidative degradation of ZDV by permanganate in acidic medium and discussed in detail.

}, keywords = {Degradation, kinetics, Mechanism, Permanganate, Zidovudine}, issn = {1944-3994}, doi = {10.1080/19443994.2016.1149110}, author = {Kulkarni, Raviraj M. and Bhamare, Vijaykumar S. and Santhakumari, B.} } @article { ISI:000381302400017, title = {P4VP and oligo(phenylenevinylene)-perylenebisimide mixed donor-acceptor supramolecular comb polymer complexes with improved charge carrier mobility}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {54}, number = {15}, year = {2016}, month = {AUG}, pages = {2403-2412}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Random donor-acceptor (D-A) supramolecular comb polymers were formed when hydroxyl functionalized donor and acceptor small molecules based on Oligo(phenylenevinylene) (named OPVCN-OH) and Perylenebisimide (named UPBI-PDP), respectively, were complexed with Poly(4-vinyl pyridine) (P4VP). A series of random D-A supramolecular comb polymers were formed by varying the ratios of UPBI-PDP and OPVCN-OH with P4VP. A 100\% P4VP-donor polymer complex [P4VP(OPV1.00)] and a 100\% P4VP-acceptor polymer complex [P4VP(UPBI1.00)] were also synthesized and characterized. Complex formation was confirmed by FT-IR and H-1 NMR spectroscopy. Solid state structural studies carried out using small angle X-ray scattering and wide angle X-ray diffraction experiments revealed altered packing of the D and A molecules in the complexes. Transmission electron microscopy images showed lamellar structures in the \<10 nm scale for the P4VP(OPV1.00), P4VP(UPBI1.00), and mixed P4VP (D-A) complexes. The effect of the nanoscopic D-A self-assembly on the bulk mobility of the materials was probed using SCLC measurements. The mixed D-A random complexes exhibited ambipolar charge transport characteristics with higher values for the average bulk hole mobility estimate. P4VP(OPV0.25+UPBI0.75) exhibited an average hole mobility in the order of 10(-2) cm(2) V-1 s(-1) and electron mobility 10(-5) cm(2) V-1 s(-1). (C) 2016 Wiley Periodicals, Inc.

}, keywords = {donor-acceptor, oligo(phenylenevinylene), P4VP, Perylenebisimide, Self-assembly, structure-property relations, supramolecular comb polymer, supramolecular structures}, issn = {0887-624X}, doi = {10.1002/pola.28115}, author = {Saibal, B. and Chithiravel, Sundaresan and Asha, S. K.} } @article {42854, title = {Palladium supported on fluorite structured redox CeZrO4-δ for heterogeneous suzuki coupling in water: a green protocol}, journal = {Chemistry Select}, volume = {1}, year = {2016}, month = {JUL}, pages = {2673{\textendash}2681}, abstract = {

Pd on redox CeZrO4-δ catalysts was prepared, characterized and their activity was evaluated for Suzuki coupling reaction in water under reflux condition. Fresh and reduced form of 5 \% Pd (R-Pd5) on CeZrO4-δ catalyst exhibited 100 \% conversion in 2.5 and 1 h, respectively. R-Pd5 shows significant activity for wide range of substrate compatibility and for less reactive aryl bromides too. The mechanistic investigations proved the important role of redox CeZrO4-δ support on the catalytic activity. It was observed that the presence of oxygen vacancy along with Ce3+ enhances the activity. 1 wt \% Pd photodeposited on pre-reduced CeZrO4-δ support requires a mere 20 min. for 100 \% conversion of Suzuki coupling. Effect of metal dispersion and particle size on catalytic activity is also discussed. High Pd dispersion with small particle size (4{\textpm}1 nm), particle size preservation after reaction, strong metal-support interaction and no leaching fully suggest the heterogeneous mechanism is operative for Suzuki coupling on 1 wt \% Pd photodeposited on reduced CeZrO4-δ support. Present work hints the possibility of achieving high conversion for Suzuki reaction with very small amount of Pd through better dispersion by taking advantage of redox support and in water.

}, doi = {10.1002/slct.201600655}, author = {Burange, Anand S. and Shukla, Rakesh and Tyagi, Avesh Kumar and Gopinath, Chinnakonda S.} } @article { ISI:000380182400035, title = {Palladium-catalyzed internal nucleophile-assisted hydration-olefin insertion cascade: diastereoselective synthesis of 2,3-dihydro-1H-inden-1-ones}, journal = {Organic Letters}, volume = {18}, number = {14}, year = {2016}, month = {JUL}, pages = {3442-3445}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A novel palladium-catalyzed hydration-olefin insertion cascade assisted by internal nucleophiles was developed for the synthesis of biologically significant 2,3-dihydro-1H-inden-1-ones under mild conditions. A detailed mechanistic study revealed that the assistance of the internal nucleophiles is crucial to trigger the cascade reaction via nucleopalladation of the alkyne moiety. The overall reaction is equivalent to regioselective hydration of alkynes followed by intramolecular Michael addition. This highly efficient and 100\% atom-economical domino sequence afforded cis-2,3-disubstituted 2,3-dihydro-1H-inden-1-ones in excellent yields (up to 99\%) with complete diastereoselectivity.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01623}, author = {Vinoth, Perumal and Nagarajan, Subbiah and Maheswari, C. Uma and Sudalai, Arumugam and Pace, Vittorio and Sridharan, Vellaisamy} } @article {43619, title = {Parasitism by Chelonus blackburni (Hymenoptera) affects food consumption and development of Helicoverpa armigera (Lepidoptera) and cellular architecture of the midgut}, journal = {Journal of Asia-Pacific Entomology}, volume = {19}, year = {2016}, month = {MAR}, pages = {65-70}, abstract = {Biological control agents are vital components of an integrated pest management strategy, and this is frequently referred to as natural control. Natural enemies of insect pests include predators, parasitoids, and pathogens. Among them, a parasitoid, Chelonus blackburni (Cameron), was found to be the best biological control agent for the polyphagous pest, Helicoverpa armigera (Hubner). C. blackburni alters the feeding performance of H. annigera larvae upon parasitism and as a result severely affects growth and development. Moreover, it shortens the feeding period of H. armigera and increases mortality. Furthermore, total hemocyte count (THC) was significantly decreased in parasitized larvae than control. Parasitized H. armigera had 26\% less number of blood cells compared to healthy larvae. Histological studies showed that the structure of midgut of H. annigera is drastically affected by C. blackburni leading to reduced food consumption, which ultimately led to larval death. The present study provides an insight to changes involved in H. annigera due to parasitism by C blackburni, a parasite that could be used as an effective biocontrol agent to manage H. armigera. (C) 2015 Korean Society of Applied Entomology, Taiwan Entomological Society and Malaysian Plant Protection Society. Published by Elsevier B.V. All rights reserved.}, doi = {10.1016/j.aspen.2015.11.005}, author = {Sanap, Yogita and Dawkar, Vishal V. and Giri, Ashok P. and Sen, Avalokiteswar and Pandit, Radhakrishna S.} } @article { ISI:000368754700011, title = {Pb2+-N bonding chemistry: recycling of polyaniline-pb nanocrystals waste for generating high-performance supercapacitor electrodes}, journal = {Journal of Physical Chemistry C}, volume = {120}, number = {2}, year = {2016}, month = {JAN}, pages = {911-918}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Understanding of Pb-N bonding chemistry is not only fundamentally important in the view of relativistic inert-pair effect but also is important for therapeutic as well as environmental applications. In the present study, an unusual reactivity of N-containing pi-conjugated polyaniline emeraldine base (EB) toward aqueous Pb2+ ions has been identified. In the course of sequestering Pb2+ ions by EB, cuboid-shaped nanocrystals were isolated. Synchrotron-based X-ray absorption near-edge structure and extended X-ray absorption fine structure techniques were employed to understand Pb-N bonding chemistry in EB-Pb nanocrystals. The adopted methodology of slow exposure of HCl vapor to EB-Pb nanomaterial facilitated the isolation of polyaniline emeraldine-salt (ES) with unique morphological patterns, porosity and electrical conductivity. The electrochemical device based on recycled ES showed high-capacitance value (similar to 606 F/g @1 A/g and similar to 663 F/g @10 mV/s), high-energy density (similar to 14.8 Wh/kg at power density of similar to 663 W/kg) and excellent-cycling stability (only similar to 15\% degradation after 1100 continued cycles at current density of 5 A/g). Notably, ES materials prepared directly from EB and upon exposing HNO3 vapor exhibited greatly inferior device performance.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.5b11217}, author = {Jha, Plawan Kumar and Singh, Santosh K. and Gatla, Suresh and Mathon, Olivier and Kurungot, Sreekumar and Ballav, Nirmalya} } @article { ISI:000369203800013, title = {Pd-catalyzed reductive cleavage of N-N bond in dibenzyl-1-alkylhydrazine-1,2-dicarboxylates with PMHS: application to a formal enantioselective synthesis of (R)-sitagliptin}, journal = {Tetrahedron Letters}, volume = {57}, number = {6}, year = {2016}, month = {FEB}, pages = {684-687}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An environmentally benign approach involving Pd-catalyzed reductive N-N bond cleavage in dibenzyl-1-alkylhydrazine-1,2-dicarboxylates leading to the synthesis of N-(tert-butoxy)carbamates under very mild conditions has been described. PMHS serves as an inexpensive source of hydride in MeOH/deionized H2O medium. This protocol has been successfully applied in the formal synthesis of (R)-sitagliptin, an anti-diabetic drug. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {anti-Diabetic, Environmentally benign, Hydrazine, PMHS, Reductive cleavage}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2015.12.116}, author = {Dey, Soumen and Gadakh, Sunita K. and Ahuja, Brij Bhushan and Kamble, Sanjay P. and Sudalai, Arumugam} } @article { ISI:000367612000010, title = {Penicillin acylases revisited: importance beyond their industrial utility}, journal = {Critical Reviews In Biotechnology}, volume = {36}, number = {2}, year = {2016}, month = {MAR}, pages = {303-316}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

It is of great importance to study the physiological roles of enzymes in nature; however, in some cases, it is not easily apparent. Penicillin acylases are pharmaceutically important enzymes that cleave the acyl side chains of penicillins, thus paving the way for production of newer semi-synthetic antibiotics. They are classified according to the type of penicillin (G or V) that they preferentially hydrolyze. Penicillin acylases are also used in the resolution of racemic mixtures and peptide synthesis. However, it is rather unfortunate that the focus on the use of penicillin acylases for industrial applications has stolen the spotlight from the study of the importance of these enzymes in natural metabolism. The penicillin acylases, so far characterized from different organisms, show differences in their structural nature and substrate spectrum. These enzymes are also closely related to the bacterial signalling phenomenon, quorum sensing, as detailed in this review. This review details studies on biochemical and structural characteristics of recently discovered penicillin acylases. We also attempt to organize the available insights into the possible in vivo role of penicillin acylases and related enzymes and emphasize the need to refocus research efforts in this direction.

}, keywords = {beta-lactam, choloyl glycine, in vivo role, Ntn hydrolases, pathogenicity, quorum sensing, regulation, signalling}, issn = {0738-8551}, doi = {10.3109/07388551.2014.960359}, author = {Avinash, Vellore Sunder and Pundle, Archana Vishnu and Ramasamy, Sureshkumar and Suresh, Cheravakkattu Gopalan} } @article { ISI:000369603400016, title = {Phenothiazine and carbazole substituted pyrene based electroluminescent organic semiconductors for OLED devices}, journal = {Journal of Materials Chemistry C}, volume = {4}, number = {5}, year = {2016}, month = {DEC}, pages = {1009-1018}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Due to their easy availability, low cost and opportunities for exploiting reactions of bromo substituents, 1,3,6,8-tetrabromopyrene has attracted major attention in the organic electronics community for designing and constructing novel classes of pyrene based organic semiconducting functional materials. In the present work, 1,3,6,8-tetrabromo pyrene was transformed into the corresponding tetrasubstituted carbazole and phenothiazine derivatives using the classical Suzuki coupling reaction. These newly synthesized materials with a carbazole substituent (PY-CA) and a phenothiazine substituent (PY-PH) were characterised thoroughly and were successfully used as an active light-emitting layer in organic light emitting diodes which resulted in blue and green emission with promising device performance. PY-CA exhibited the maximum brightness at around 2500 cd m(-2) and the power efficiency of 1.5 lm W-1 while that of PY-PH exhibited 2116 cd m(-2) and 0.45 lm W-1 respectively.

}, issn = {2050-7526}, doi = {10.1039/c5tc03690a}, author = {Salunke, Jagadish K. and Wong, F. L. and Feron, Krishna and Manzhos, Sergei and Lo, Ming Fai and Shinde, Durgaprasad and Patil, Abhijeet and Lee, C. S. and Roy, V. A. L. and Sonar, Prashant and Wadgaonkar, Prakash P.} } @article { ISI:000369533400015, title = {Phenylacetylene hydrogenation on Au@Ni bimetallic core-shell nanoparticles synthesized under mild conditions}, journal = {Catalysis Science \& Technology}, volume = {6}, number = {3}, year = {2016}, month = {JAN}, pages = {708-712}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The synthesis of Au@Ni bimetallic core-shell nanoparticles through an energy efficient (lower temperature) route in oleylamine following a sequential reduction strategy is reported. The method is found to be useful for the synthesis of a very thin nickel shell (2 nm) over a gold core (15 nm). Synergistic effects are observed in catalyzing phenylacetylene hydrogenation under different solvent conditions.

}, issn = {2044-4753}, doi = {10.1039/c5cy02005k}, author = {Vysakh, A. B. and Lazar, Anish and Yadukiran, V. and Singh, A. P. and Vinod, C. P.} } @article { ISI:000368554000002, title = {Photocatalytic degradation of ciprofloxacin center dot HCl using Aeroxide (R) P-25 TiO2 photocatalyst: comparative evaluation of solar and artificial radiation}, journal = {Indian Journal of Chemistry Section A-Inorganic Bio-Inorganic Physical Theoretical \& Analytical Chemistry}, volume = {55}, number = {1}, year = {2016}, month = {JAN}, pages = {16-22}, publisher = {NATL INST SCIENCE COMMUNICATION-NISCAIR}, address = {DR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIA}, abstract = {

The photocatalytic degradation of ciprofioxacin (CFX) has been investigated using Aeroxide (R) P-25 TiO2 photocatalyst in the presence of solar as well as artificial radiation. The effects of different operating parameters like initial concentration of CFX, catalyst loading, pH of solution and effect of co-existing ions on photocatalytic degradation of CFX have been investigated with a view to establish the optimum operating conditions. It is observed that as the initial concentration of CFX increases, the rate of photocatalytic degradation decreases. Optimum catalyst loading is observed at 1 g L-1 for CFX concentration of 100 mg L-1. Over the pH range 3-11, maximum degradation rate occurs at pH 9. The mechanism and intermediates formed during the photocatalytic degradation of CFX are discussed based on UPLC-MS/MS analysis. From kinetic studies, it is found that the photocatalytic degradation obeys pseudo-first order kinetics. The degradation rate constant using solar radiation is about 1.7 times higher than that under artificial radiation.

}, keywords = {Advanced oxidation process, Aeroxide (R) P-25 TiO2, Artificial radiation, Ciprofloxacin center dot HCl, Degradation, Pharmaceutical micropollutants, Photocatalysis, Solar radiation}, issn = {0376-4710}, author = {Shetty, Rohit and Kothari, Gaurav and Tambe, Amruta S. and Kulkarni, Bhaskar D. and Kamble, Sanjay P.} } @article { ISI:000375559600001, title = {Phytogenic silver, gold, and bimetallic nanoparticles as novel antitubercular agents}, journal = {International Journal of Nanomedicine}, volume = {11}, year = {2016}, month = {MAY}, pages = {1889{\textemdash}1897}, publisher = {DOVE MEDICAL PRESS LTD}, address = {PO BOX 300-008, ALBANY, AUCKLAND 0752, NEW ZEALAND}, abstract = {

Purpose: Multi- and extensively drug-resistant tuberculosis (TB) is a global threat to human health. It requires immediate action to seek new antitubercular compounds and devise alternate strategies. Nanomaterials, in the present scenario, have opened new avenues in medicine, diagnosis, and therapeutics. In view of this, the current study aims to determine the efficacy of phytogenic metal nanoparticles to inhibit mycobacteria. Methods: Silver (AgNPs), gold (AuNPs), and gold-silver bimetallic (Au-AgNPs) nanoparticles synthesized from medicinal plants, such as Barleria prionitis, Plumbago zeylanica, and Syzygium cumini, were tested against Mycobacterium tuberculosis and M. bovis BCG. In vitro and ex vivo macrophage infection model assays were designed to determine minimum inhibitory concentration (MIC) and half maximal inhibitory concentration of nanoparticles. Microscopic analyses were carried out to demonstrate intracellular uptake of nanoparticles in macrophages. Besides this, biocompatibility, specificity, and selectivity of nanoparticles were also established with respect to human cell lines. Results: Au-AgNPs exhibited highest antitubercular activity, with MIC of \<2.56 mu g/mL, followed by AgNPs. AuNPs did not show such activity at concentrations of up to 100 mu g/mL. In vitro and ex vivo macrophage infection model assays revealed the inhibition of both active and dormant stage mycobacteria on exposure to Au-AgNPs. These nanoparticles were capable of entering macrophage cells and exhibited up to 45\% cytotoxicity at 30 mu g/mL (ten times MIC concentration) after 48 hours. Among these, Au-AgNPs synthesized from S. cumini were found to be more specific toward mycobacteria, with their selectivity index in the range of 94-108. Conclusion: This is the first study to report the antimycobacterial activity of AuNPs, AgNPs, and Au-AgNPs synthesized from medicinal plants. Among these, Au-AgNPs from S. cumini showed profound efficiency, specificity, and selectivity to kill mycobacteria. These should be investigated further to develop novel TB nanoantibiotics.

}, keywords = {Antimycobacterial agent, Cytotoxicity, drug resistance, Mycobacteria, Nanoparticles, tuberculosis}, issn = {1178-2013}, doi = {10.2147/IJN.S102488}, author = {Singh, Richa and Nawale, Laxman and Arkile, Manisha A. and Wadhwani, Sweety and Shedbalkar, Utkarsha and Chopade, Snehal and Sarkar, Dhiman and Chopade, Balu Ananda} } @article { ISI:000363852200028, title = {Polybenzimidazole based polymeric ionic liquids possessing partial ionic character: effects of anion exchange on their gas permeation properties}, journal = {Journal of Membrane Science}, volume = {497}, year = {2016}, month = {JAN}, pages = {282-288}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Polymeric ionic liquids (PILs) are emerging as promising membrane materials for CO2 separation. Present work is in continuation with our earlier efforts on evaluating gas permeation properties (especially, CO2) of film forming PILs based on polybenzimidazoles and efforts towards improving their permeability by structural tuning. This work specifically aims at evaluating effect of anion variation in chosen PILs possessing partial N-quaternization of imidazole moiety of PBI-Bul. Three anions (viz., Tf2N-, BF4- and Ac-) were chosen for the bromide exchange of two PILs, viz., [TBzPBI-Bul][Br](10) and [TBzPBI-Bul][Br](18), possessing degree of PEI N-quaternization (DQ) as 10 and 18\%, respectively. Concurrent effects of variation in anion and DQ were analyzed in terms of physical and gas permeation properties of the resulting PILs. All of them possessed amorphous nature, adequate thermal stability ( \>= 250 degrees C) and solvent solubility, which are primary requisites towards their applicability as a membrane material. PILs possessing BF4- anion exhibited improved CO2 permeability coefficient as well as its permselectivity over CH4 and N-2, in comparison to their counterparts with other anions. (C) 2015 Elsevier B.V. All rights reserved.

}, keywords = {Anion exchange, Gas separation, Polybenzimidazole, Polymeric ionic liquids (PILs)}, issn = {0376-7388}, doi = {10.1016/j.memsci.2015.09.019}, author = {Rewar, Anita S. and Shaligram, Sayali V. and Kharul, Ulhas K.} } @article { ISI:000375520700048, title = {Polyhedral oligomeric silsesquioxane-containing thiol-ene fibers with tunable thermal and mechanical properties}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {17}, year = {2016}, month = {MAY}, pages = {11050-11059}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Polyhedral oligomeric silsesquioxanes (POSS) are versatile inorganic-organic hybrid building blocks that have potential applications as reinforcement nanofillers, thermal stabilizers, and catalyst supports for metal nano particles. However, fabrication of fibrous materials with high POSS content has been a challenge because of the aggregation and solubility limits of POSS units. In this paper, we describe a robust and environmentally friendly fabrication approach of inorganic-organic hybrid POSS fibers by integrating UV initiated thiol-ene polymerization and centrifugal fiber spinning. The use of monomeric liquids in this approach not only reduces the consumption of heat energy and solvent, but it also promotes homogeneous mixing of organic and inorganic components that allows integration of large amount of POSS (up to 80 wt \%) into the polymer network. The POSS containing thiol-ene fibers exhibited enhanced thermomechanical properties compared to purely organic analogs as revealed by substantial increases in residual weight and a factor of 4 increase in modulus after thermal treatment at 1000 degrees C. This simple fabrication approach combined with the tunability in fiber properties afforded by tailoring monomer composition make POSS containing thiol-ene fibers attractive candidates for catalyst supports and filtration media, particularly in high-temperature and harsh environments.

}, keywords = {cross-linked fiber, enhanced thermomechanical properties, inorganic-organic hybrid fiber, POSS, reactive centrifugal spinning, thiol-ene photopolymerization}, issn = {1944-8244}, doi = {10.1021/acsami.6b01692}, author = {Fang, Yichen and Ha, Heonjoo and Shanmuganathan, Kadhiravan and Ellison, Christopher J.} } @article { ISI:000368189500001, title = {Potential dual role of eugenol in inhibiting advanced glycation end products in diabetes: proteomic and mechanistic insights}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {JAN}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

Medicinally important genus Ocimum harbors a vast pool of chemically diverse metabolites. Current study aims at identifying anti-diabetic candidate compounds from Ocimum species. Major metabolites in O. kilimandscharicum, O. tenuiflorum, O. gratissimum were purified, characterized and evaluated for anti-glycation activity. In vitro inhibition of advanced glycation end products (AGEs) by eugenol was found to be highest. Preliminary biophysical analysis and blind docking studies to understand eugenol-albumin interaction indicated eugenol to possess strong binding affinity for surface exposed lysines. However, binding of eugenol to bovine serum albumin (BSA) did not result in significant change in secondary structure of protein. In vivo diabetic mice model studies with eugenol showed reduction in blood glucose levels by 38\% likely due to inhibition of alpha-glucosidase while insulin and glycated hemoglobin levels remain unchanged. Western blotting using anti-AGE antibody and mass spectrometry detected notably fewer AGE modified peptides upon eugenol treatment both in vivo and in vitro. Histopathological examination revealed comparatively lesser lesions in eugenol-treated mice. Thus, we propose eugenol has dual mode of action in combating diabetes; it lowers blood glucose by inhibiting a-glucosidase and prevents AGE formation by binding to epsilon-amine group on lysine, protecting it from glycation, offering potential use in diabetic management.

}, issn = {2045-2322}, doi = {10.1038/srep18798}, author = {Singh, Priyanka and Jayaramaiah, Ramesha H. and Agawane, Sachin B. and Vannuruswamy, Garikapati and Korwar, Arvind M. and Anand, Atul and Dhaygude, Vitthal S. and Shaikh, Mahemud L. and Joshi, Rakesh S. and Boppana, Ramanamurthy and Kulkarni, Mahesh J. and Thulasiram, Hirekodathakallu V. and Giri, Ashok P.} } @article { ISI:000371228200032, title = {Prediction of reactivity ratios in free radical copolymerization from monomer resonance-polarity (Q-e) parameters: genetic programming-based models}, journal = {International Journal of Chemical Reactor Engineering}, volume = {14}, number = {1}, year = {2016}, month = {FEB}, pages = {361-372}, publisher = {WALTER DE GRUYTER GMBH}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {

The principal deficiency of the widely utilized Alfrey-Price (AP) scheme for computing reactivity ratios in the widely used free radical copolymerization is that it ignores important factors, such as the steric effects. This often leads to inaccurate reactivity ratio predictions by AP model. Accordingly, in this study, exclusively data-driven, Q-e parameter-based new models have been developed for the reactivity ratio prediction in free radical copolymerization. In the model development, a novel artificial intelligence formalism known as {\textquoteleft}{\textquoteleft}genetic programming (GP){\textquoteright}{\textquoteright} that performs symbolic regression has been employed. The GP-based models possess a different functional form than AP model. Further, parameters of GP-based models were fine-tuned using Levenberg-Marquardt (LM) nonlinear regression method. A comparison of AP, GP and GP-LM as well as artificial neural network (ANN)-based models indicates that GP and GP-LM models exhibit superior reactivity ratio prediction accuracy and generalization performance (with correlation coefficient magnitudes close to or greater than 0.9) when compared with AP and ANN models. The GPbased reactivity ratio prediction models developed here due to their higher accuracy and generalization capability have the potential of replacing the widely used AP models.

}, keywords = {Alfrey-Price scheme, free radical copolymerization, genetic programming, reactivity ratio, symbolic regression}, issn = {2194-5748}, doi = {10.1515/ijcre-2014-0039}, author = {Shrinivas, K. and Kulkarni, Rahul P. and Shaikh, Saif and Ghorpade, Ravindra V. and Vyas, Renu and Tambe, Sanjeev S. and Ponrathnam, S. and Kulkarni, Bhaskar D.} } @article {43413, title = {Preparation and characterization of microcapsules containing industrially important reactive water-soluble polyamine}, journal = {Colloid and Polymer Science}, volume = {294}, year = {2016}, month = {DEC}, pages = {2039-2050}, abstract = {Polyurea microcapsules containing water-soluble reactive polyamine, namely, polyaziridine (A33), were prepared by interfacial polymerization technique in non-aqueous medium, wherein (i) A33 was encapsulated for the first time as a neat amine without forming its salt or adduct and (ii) microcapsules formed were without any deleterious effect on A33. A systematic study was conducted by preparing microcapsules with different polyurea wall architectures. Fourier transform infrared (FTIR) and proton nuclear magnetic resonance (H-1 NMR) spectroscopic analysis of extracted A33 from microcapsules do not show any structural changes during microencapsulation. A titration method was developed to analyze the amount of encapsulated A33 quantitatively. Polyurea microcapsules obtained from reaction of ethylene diamine (E) and isophorone diisocyanate (I) monomers have shown better properties such as encapsulation efficiency and extent of agglomeration. Significant reduction in the size was observed when microcapsules of EI wall material were prepared by homogenizing the initial emulsion of A33 in paraffin oil. The process described in this paper for the preparation of microcapsules is cost-effective and industrially viable, which can find applications in agrochemicals, coatings, self-healing composites, etc.}, doi = {10.1007/s00396-016-3966-8}, author = {Shukla, Parshuram G. and Jagtap, Siddheshwar B. and Biradar, Satish C. and Charpe, Vaibhav P. and Jadhav, Arun S.} } @article {43616, title = {Proline catalyzed enantioselective synthesis of (2S,3S)-3-hydroxypipecolic acid and formal synthesis of (+)-swainsonine}, journal = {Tetrahedron Letters}, volume = {57}, year = {2016}, month = {MAY}, pages = {2021-2024}, abstract = {A short enantioselective synthesis of (2S,3S)-3-hydroxypipecolic acid (overall yield: 18.8\%; 96\% ee) and formal synthesis of (+)-swainsonine (overall yield: 13.6\%; 96\% ee) have been described starting from commercially available acrolein. The synthetic strategy involves a high enantioselective L-proline catalyzed sequential c-amination and diastereoselective (dr > 99:1) Barbier allylation of aldehyde in one-pot as the key reaction. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetlet.2016.03.042}, author = {Aher, Ravindra D. and Sudalai, Arumugam} } @article {43633, title = {Promising field electron emission performance of vertically aligned one dimensional (1D) brookite (beta) TiO2 nanorods}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {OCT}, pages = {98722-98729}, abstract = {We evidence field-electron emission (FE) studies on the large-area array of one-dimensional (1D) brookite (beta) TiO2 nanorods. The pure 1D beta-TiO2 nanorods of 10 nm width and 760 nm long were synthesized on Si substrate utilizing hot-filament metal vapor deposition technique. X-ray diffraction (XRD) and transmission electron microscopy (TEM) analysis evidenced the beta-TiO2 nanorods to be composed of orthorhombic crystals in brookite (beta) phase. X-ray photoemission spectroscopy (XPS) revealed the formation of pure stoichiometric (i.e. 1 : 1.98) 1D TiO2 nanorods. The values of turn-on field, required to draw current density of 10 mA cm(-2), was observed 3.9 V mu m(-1) for pristine 1D beta-TiO2 nanorods emitters, which were found significantly lower than doped/undoped 1D TiO2 nanostructures (i.e. nanotubes, nanowires, nanorods) based field emitters. The enhanced FE behavior of the TiO2/Si emitter can be attributed to modulation of electronic properties due to the high aspect ratio of vertically aligned TiO2 nanorods. Furthermore, the orthodox emission situation of pristine TiO2/Si emitters exhibit good emission stability and reveal their potentials as promising FE material.}, doi = {10.1039/c6ra20747b}, author = {Devan, Rupesh S. and Ma, Yuan-Ron and More, Mahendra A. and Khare, Ruchita T. and Antad, Vivek V. and Patil, Ranjit A. and Thakare, Vishal P. and Dhayal, Rajendra S. and Schmidt-Mende, Lukas} } @article {42993, title = {Protein-dependent membrane interaction of a partially disordered protein complex with oleic acid : Implications for cancer lipidomics}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {OCT}, abstract = {

Bovine α-lactalbumin (BLA) forms cytotoxic complexes with oleic acid (OA) that perturbs tumor cell membranes, but molecular determinants of these membrane-interactions remain poorly understood. Here, we aim to obtain molecular insights into the interaction of BLA/BLA-OA complex with model membranes. We characterized the folding state of BLA-OA complex using tryptophan fluorescence and resolved residue-specific interactions of BLA with OA using molecular dynamics simulation. We integrated membrane-binding data using a voltage-sensitive probe and molecular dynamics (MD) to demonstrate the preferential interaction of the BLA-OA complex with negatively charged membranes. We identified amino acid residues of BLA and BLA-OA complex as determinants of these membrane interactions using MD, functionally corroborated by uptake of the corresponding α-LA peptides across tumor cell membranes. The results suggest that the α-LA component of these cytotoxic complexes confers specificity for tumor cell membranes through protein interactions that are maintained even in the lipid complex, in the presence of OA.

}, doi = {10.1038/srep35015}, author = {Chaudhuri, Arunima and Prasanna, Xavier and Agiru, Priyanka and Chakraborty, Hirak and Rydstrom, Anna and Ho, James C. S. and Svanborg, Catharina and Sengupta, Durba and Chattopadhyay, Amitabha} } @article { ISI:000377822900018, title = {Proteomic insight reveals elevated levels of albumin in circulating immunecomplexes in diabetic plasma}, journal = {Molecular \& Cellular Proteomics}, volume = {15}, number = {6}, year = {2016}, month = {JUN}, pages = {2011-2020}, publisher = {AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC}, address = {9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA}, abstract = {

A Hyperglycemic condition in diabetes promotes formation of advanced glycation end products, which are known to elicit immune response and form complexes with immunoglobulins called circulating immune complexes. To investigate the involvement of advanced glycation end product (AGE)-modified proteins in the elicitation of an immune response, circulating immune complexes were isolated and proteins associated were identified and characterized. Label-free-based mass spectrometric analysis of circulating immune complexes in clinical plasma of prediabetic, newly diagnosed diabetes, and diabetic microalbuminurea revealed elevated levels of serum albumin in the circulating immune complexes, which were also observed to be AGE modified. Further, to examine the role of glycation, circulating immune complexeswere analyzed in the streptozotocin-induced diabetic mice treated with or without aminoguanidine, a prototype glycation inhibitor. Mass spectrometric analysis of circulating immune complexes showed elevated levels of serum albumin in plasma from diabetic mice over that of control animals. Aminoguanidine-treated diabetic mice displayed decreased AGE modification of plasma albumin, accompanied by a reduced level of albumin in the circulating immune complexes. In addition, elevated levels of proinflammatory cytokines such as IL-1b, IL-2, and TNF-alpha were observed in diabetes, which were reduced with aminoguanidine treatment, suggesting the involvement of glycation in the immune response.

}, issn = {1535-9476}, doi = {10.1074/mcp.M116.058008}, author = {Bhat, Shweta and Jagadeeshaprasad, Mashanipalya G. and Patil, Yugendra R. and Shaikh, Mahemud L. and Regin, Bhaskaran S. and Mohan, Viswanathan and Giri, Ashok P. and Balasubramanyam, Muthuswamy and Boppana, Ramanamurthy and Kulkarni, Mahesh J.} } @article { ISI:000368563000067, title = {Pt- and TCO-free flexible cathode for DSSC from highly conducting and flexible PEDOT paper prepared via in situ interfacial polymerization}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, number = {1}, year = {2016}, month = {JAN}, pages = {553-562}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Here, we report the preparation of a flexible, free-standing, Pt- and TCO-free counter electrode in dye-sensitized solar cell (DSSC)-derived from polyethylenedioxythiophene (PEDOT)-impregnated cellulose paper. The synthetic strategy of making the thin flexible PEDOT paper is simple and scalable, which can be achieved via in situ polymerization all through a roll coating technique. The very low sheet resistance (4 Omega/square) obtained from a film of 40 mu m thick PEDOT paper (PEDOT-p-5) is found to be superior to the conventional fluorine-doped tin oxide (FTO) substrate. The high conductivity (357 S/cm) displayed by PEDOT-p-5 is observed to be stable under ambient conditions as well as flexible and bending conditions. With all of these features in place, we could develop an efficient Pt- and TCO-free flexible counter electrode from PEDOT-p-5 for DSSC applications. The catalytic activity toward the tri-iodide reduction of the flexible electrode is analyzed by adopting various electrochemical methodologies. PEDOT-p-5 is found to display higher exchange current density (7.12 mA/cm(2)) and low charge transfer resistance (4.6 Omega) compared to the benchmark Pt-coated FTO glass (2.40 mA/cm(2) and 9.4 Omega, respectively). Further, a DSSC fabricated using PEDOT-p-5 as the counter electrode displays a comparable efficiency of 6.1\% relative to 6.9\% delivered by a system based on Pt/FTO as the counter electrode.

}, keywords = {counter electrode, dye-sensitized solar cell, flexible and thin devices, impedance analysis, interfacial polymerization, polyethylenedioxythiophene}, issn = {1944-8244}, doi = {10.1021/acsami.5b09579}, author = {Anothumakkool, Bihag and Agrawal, Ishita and Bhange, Siddheshwar N. and Soni, Roby and Game, Onkar S. and Ogale, Satishchandra B. and Kurungot, Sreekumar} } @article {43590, title = {Pulsed laser-deposited nanocrystalline GdB6 thin films on W and Re as field emitters}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {122}, year = {2016}, month = {OCT}, pages = {Article Number: 899}, abstract = {Gadolinium hexaboride (GdB6) nanocrystalline thin films were grown on tungsten (W), rhenium (Re) tips and foil substrates using optimized pulsed laser deposition (PLD) technique. The X-ray diffraction analysis reveals formation of pure, crystalline cubic phase of GdB6 on W and Re substrates, under the prevailing PLD conditions. The field emission (FE) studies of GdB6/W and GdB6/Re emitters were performed in a planar diode configuration at the base pressure similar to 10(-8) mbar. The GdB6/W and GdB6/Re tip emitters deliver high emission current densities of similar to 1.4 and 0.811 mA/cm(2) at an applied field of similar to 6.0 and 7.0 V/mu m, respectively. The Fowler-Nordheim (F-N) plots were found to be nearly linear showing metallic nature of the emitters. The noticeably high values of field enhancement factor (beta) estimated using the slopes of the F-N plots indicate that the PLD GdB6 coating on Wand Re substrates comprises of high-aspect-ratio nanostructures. Interestingly, the GdB6/W and GdB6/Re planar emitters exhibit excellent current stability at the preset values over a long-term operation, as compared to the tip emitters. Furthermore, the values of workfunction of the GdB6/W and GdB6/Re emitters, experimentally measured using ultraviolet photoelectron spectroscopy, are found to be same, similar to 1.6 +/- 0.1 eV. Despite possessing same workfunction value, the FE characteristics of the GdB6/W emitter are markedly different from that of GdB6/Re emitter, which can be attributed to the growth of GdB6 films on W and Re substrates.}, doi = {10.1007/s00339-016-0423-y}, author = {Suryawanshi, Sachin R. and Singh, Anil K. and Phase, Deodatta M. and Late, Dattatray J. and Sinha, Sucharita and More, Mahendra A.} } @article { ISI:000382535600016, title = {Purification and partial characterization of novel penicillin V acylase from Acinetobacter sp AP24 isolated from loktak lake, an indo-burma biodiversity hotspot}, journal = {Preparative Biochemistry \& Biotechnology}, volume = {46}, number = {5}, year = {2016}, month = {OCT}, pages = {524-530}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

Members of the bacterial genus Acinetobacter have attracted great attention over the past few decades, on account of their various biotechnological applications and clinical implications. In this study, we are reporting the first experimental penicillin V acylase (PVA) activity from this genus. Penicillin acylases are pharmaceutically important enzymes widely used in the synthesis of semisynthetic beta-lactam antibiotics. The bacterium, identified as Acinetobacter sp. AP24, was isolated from the water of Loktak Lake (Manipur, India), an Indo-Burma biodiversity hotspot. PVA production was increased threefold in an optimized medium with 0.2\% sodium glutamate and 1\% glucose as nitrogen and carbon sources respectively, after 24hr of fermentation at 28 degrees C and pH 7.0 with shaking at 180rpm. The enzyme was purified to homogeneity by cation-exchange chromatography using SP-sepharose resin. The PVA is a homotetramer with subunit molecular mass of 34 kD. The enzyme was highly specific toward penicillin V with optimal hydrolytic activity at 40 degrees C and pH 7.5. The enzyme was stable from pH 5.0 to 9.0 at 25 degrees C for 2hr. The enzyme retained 75\% activity after 1hr of incubation at 40 degrees C at pH 7.5.

}, keywords = {6-APA, Acinetobacter, Loktak Lake, Penicillin V acylase}, issn = {1082-6068}, doi = {10.1080/10826068.2015.1084636}, author = {Philem, Pushparani Devi and Sonalkar, Vidya V. and Dharne, Mahesh S. and Prabhune, Asmita} } @article {43644, title = {PVAc/PEDOT:PSS/graphene-iron oxide nanocomposite (GINC): an efficient thermoelectric material}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {FEB}, pages = {22453-22460}, abstract = {A green method for the synthesis of a graphene-iron oxide nanocomposite (GINC) and its PVAc based polymer nanocomposites was reported in an earlier communication. The fabricated PVAc-GINC film exhibited a conductivity of 2.18 x 104 S m(-1) with a Seebeck coefficient of 38.8 mu V K-1. Hence, the power factor (PF) reached a value of 32.90 mu W m(-1) K-2 which is 27 fold higher than a thermoelectric material based on a PVAc-graphene composite as reported in the contemporary literature. In continuation of the above mentioned study, PEDOT:PSS was used to further enhance the power factor (PT) and figure of merit (ZT) of the system. During evaluation, a PEDOT: PSS/GINC composite (5 : 95) showed a remarkable increase in various thermoelectric properties like electrical conductivity (8.0 x 10(4) S m(-1)) with a Seebeck coefficient of 25.42 mu V K-1 and thermal conductivity 0.90 m(-1) K-1. Hence PF and ZT reach up to 51.93 mW m(-1) K-2 and 0.017, respectively. To improve the mechanical strength of the polymer composite, cellulose fibre was also employed. By the addition of cellulose fibre, though the mechanical strength of the composite increases the PF reaches 5.6, which is 10 times lower than the PEDOT:PSS/GINC composite.}, doi = {10.1039/c5ra26138d}, author = {Dey, Abhijit and Maity, Arunava and Khan, Md Abdul Shafeeuulla and Sikder, Arun Kanti and Chattopadhyay, Santanu} } @article { ISI:000381418000084, title = {Radical attached aluminum nanoclusters: an alternative way of cluster stabilization}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {31}, year = {2016}, month = {AUG}, pages = {21746-21759}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The stability and electronic structure of radical attached aluminum nanoclusters are investigated using density functional theory (DFT). A detailed investigation shows good correlation between the thermodynamic stability of radical attached clusters and the stability of the attached radical anions. All other calculated parameters like HOMO-LUMO gap and charge transfer are also found to be consistent with the observed thermodynamic stabilities of the complexes. Investigation of the electronic structure of radical attached complexes further shows the presence of jellium structures within the core similar to the ligated clusters. Comparison with available experimental and theoretical data also proves the validity of superatomic complex theory for the radical attached clusters as well. Based on the evaluated thermodynamic parameters, selected radical attached clusters are observed to be more thermodynamically stable in comparison with experimentally synthesized ligated clusters. Stabilization of small metal clusters is one of the greatest challenges in current cluster science and the present investigation confirms the fact that radical attached clusters can provide a viable alternative to ligated clusters in the future.

}, issn = {1463-9076}, doi = {10.1039/c6cp03601e}, author = {Sengupta, Turbasu and Pal, Sourav} } @article { ISI:000375837100034, title = {Reclassification of bacillus isronensis shivaji et al. 2009 as solibacillus isronensis comb. nov and emended description of genus solibacillus krishnamurthi et al. 2009}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {66}, number = {5}, year = {2016}, month = {MAY}, pages = {2113-2120}, publisher = {SOC GENERAL MICROBIOLOGY}, address = {MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND}, abstract = {

An investigation into the taxonomic position of Bacillus isronensis MTCC 7902(T) revealed that the strain shares a common phylogenetic lineage with Solibacillus silvestris MTCC 10789(T). It displays considerable overlap in phenotypic properties with the genus Solibacillus, including endospore shape and position, oxidase and catalase activities, presence of iso-C-15 : 0, C-16 : (1)omega 7c alcohol and iso-C-17 : 1 omega 7c as major cellular fatty acids, A4 alpha-type cell-wall peptidoglycan, polar lipids and menaquinone pattern. These features reinforce the findings of molecular phylogenetic analyses based on 16S rRNA gene, gyrB gene and 16S-23S internal transcribed spacer (ITS) region sequences and, in line with the recommendations of Kampfer et al. [Int J Syst Evol Microbiol 56 (2006), 781-786], provide justification for the transfer of Bacillus isronensis from the genus Bacillus to Solibacillus as Solibacillus isronensis comb. nov. The type strain is B3W22(T) (=MTCC 7902(T) =DSM 21046(T) =JCM 13838(T)). An emended description of the genus Solibacillus is also provided.

}, issn = {1466-5026}, doi = {10.1099/ijsem.0.000982}, author = {Mual, Poonam and Singh, Nitin Kumar and Verma, Ashish and Schumann, Peter and Krishnamurthi, Srinivasan and Dastager, Syed Gulam and Mayilraj, Shanmugam} } @article {43602, title = {Red mud and li-ion batteries: a magnetic connection}, journal = {Chemsuschem}, volume = {9}, year = {2016}, month = {AUG}, pages = {2193-2200}, abstract = {Exceptional Li-ion battery performance is presented with the oxide component of the anode was extracted from red mud by simple magnetic separation and applied directly without any further processing. The extracted material has -Fe2O3 as the major phase with inter-dispersed phases of Ti, Al, and Si oxides. In a half-cell assembly, the phase displayed a reversible capacity (approximate to 697mAhg(-1)) with excellent stability upon cycling. Interestingly, the stability is rendered by the multiphase constitution of the material with the presence of other electrochemically inactive metal oxides, such as Al2O3, SiO2, and Fe2TiO4, which could accommodate the strain and facilitate release during the charge-discharge processes in the electrochemically active maghemite component. We fabricated the full-cell assembly with eco-friendly cathode LiMn2O4 by adjusting the mass loading. Prior to full-cell assembly, an electrochemical pre-lithiation was enforced to overcome the irreversible capacity loss obtained from the anode. The full-cell delivered a capacity of approximate to 100mAhg(-1) (based on cathode loading) with capacity retention of approximate to 61\% after 2000cycles under ambient conditions.}, doi = {10.1002/cssc.201600561}, author = {Suryawanshi, Anil and Aravindan, Vanchiappan and Madhavi, Srinivasan and Ogale, Satishchandra B.} } @article {45632, title = {Reduced graphene oxide modified electrodes for sensitive sensing of gliadin in food samples}, journal = {ACS Sensors}, volume = {1}, year = {2016}, month = {DEC}, pages = {1462-1470}, type = {Article}, abstract = {

Incidences of food allergies are on the rise, which can greatly affect the well-being of children as well as adults. Intolerance to gluten, a protein composite of gliadin and glutenin, present in wheat, barley, and rye and several cereals, can be the causative agent of celiac disease (CD) and other allergic reactions. A gluten-free diet has become essential for people affected by CD, and consequently, the amount of gluten in food products needs to be strictly controlled. In this paper, we report an electrochemical label-free immunosensor for ultrasensitive and specific detection of gliadin. The sensor takes advantage of the specific properties of porous reduced graphene oxide (prGO) covalently functionalized with anti-gliadin antibodies using 1-pyrenecarboxylic acid as linker molecule. Using differential pulse voltammetry (DPV) and [Fe(CN)6](3-/4-) as a redox probe, a decrease of current is linked to the presence of gliadin. The sensor achieved a detection limit of 1.2 ng mL(-1) over a 1.2-34 ng mL(-1) linear range with high selectivity. The advantages offered by this sensor are the possibility to regenerate the surface of the immunosensor, its rapid and ease of production, as well as applicability for the screening of gliadin concentrations in real food samples, as shown here.

}, keywords = {anti-gliadin antibody, food samples, gliadin, Immunosensor, Porous reduced graphene oxide}, issn = {2379-3694}, doi = {10.1021/acssensors.6b00608}, author = {Chekin, Fereshteh and Singh, Santosh K. and Vasilescu, Alina and Dhavale, Vishal M. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article { ISI:000378392200016, title = {Reductive nitrosylation of nickel(II) complex by nitric oxide followed by nitrous oxide release}, journal = {Dalton Transactions}, volume = {45}, number = {25}, year = {2016}, month = {MAY}, pages = {10200-10208}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Ni(II) complex of ligand L (L = bis(2-ethyl-4-methylimidazol-5-yl)methane) in methanol solution reacts with an equivalent amount of NO resulting in a corresponding Ni(I) complex. Adding further NO equivalent affords a Ni(I)-nitrosyl intermediate with the {NiNO}(10) configuration. This nitrosyl intermediate upon subsequent reaction with additional NO results in the release of N2O and formation of a Ni(II)-nitrito complex. Crystallographic characterization of the nitrito complex revealed a symmetric eta(2)-O,O-nitrito bonding to the metal ion. This study demonstrates the reductive nitrosylation of a Ni(II) center followed by N2O release in the presence of excess NO.

}, issn = {1477-9226}, doi = {10.1039/c6dt00826g}, author = {Ghosh, Somnath and Deka, Hemanta and Dangat, Yuvraj B. and Saha, Soumen and Gogoi, Kuldeep and Vanka, Kumar and Mondal, Biplab} } @article { ISI:000369545400074, title = {Re-engineering of PIP3-antagonist triazole PITENIN{\textquoteright}s chemical scaffold: development of novel antifungal leads}, journal = {RSC Advances}, volume = {6}, number = {14}, year = {2016}, month = {JAN}, pages = {11691-11701}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel 4-(1-phenyl-1-hydroxyethyl)-1-(o-hydroxyphenyl)-1H-1,2,3-triazole was designed by integrating the structural features of triazole PITENIN anticancer agents and the azole class of antifungal drugs. A two-step protocol comprising the Barbier propargylation and Cu-catalyzed azide-alkyne cycloaddition was established to synthesise a diverse set of compounds of this class. Their screening against a wide range of human fungal pathogens led to identification of several potential antifungal hits and some of them displayed better antifungal activity than fluconazole against Candida glabrata, Cryptococcus neoformans, Aspergillus fumigatus and Aspergillus niger. Mode of action studies revealed that their antifungal activity was resulting either from the inhibition of lanosterol 14 alpha-demethylase enzyme (leading to ergosterol depletion) or by the generation of reactive oxygen species (ROS).

}, issn = {2046-2069}, doi = {10.1039/c5ra25145a}, author = {Pulya, Sravani and Kommagalla, Yadagiri and Sant, Duhita G. and Jorwekar, Shweta U. and Tupe, Santosh G. and Deshpande, Mukund V. and Ramana, Chepuri V.} } @article { ISI:000369771800040, title = {Regioselective oxo-amination of alkenes and enol ethers with N-bromosuccinimide-dimethyl sulfoxide combination: a facile synthesis of alpha-amino-ketones and esters}, journal = {Organic Letters}, volume = {18}, number = {3}, year = {2016}, month = {FEB}, pages = {500-503}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An unprecedented conversion of alkenes and enol ethers to the corresponding a-imido carbonyl compounds with excellent regioselectivity and yields has been developed. This oxo-amination process employs readily available N-bromosuccinimide (NBS) and secondary amines as N-sources and dimethyl sulfoxide (DMSO) as the oxidant and also leads to the production of amino alcohols in a single step on reduction, thus broadening the scope of this operationally simple reaction. For the first time, the formation of reactive Me2S+-O-Br species generated by the interaction of NBS with DMSO has been proven.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5b03540}, author = {Prasad, Pragati K. and Reddi, Rambabu N. and Sudalai, Arumugam} } @article { ISI:000377497000004, title = {Relativistic coupled-cluster study of RaF as a candidate for the parity- and time-reversal-violating interaction}, journal = {Physical Review A}, volume = {93}, number = {6}, year = {2016}, month = {JUN}, pages = {062506}, publisher = {AMER PHYSICAL SOC}, address = {ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA}, abstract = {

We have employed both the Z-vector method and the expectation-value approach in the relativistic coupled-cluster framework to calculate the scalar-pseudoscalar (S-PS) P, T-odd interaction constant W-s and the effective electric field E-eff experienced by the unpaired electron in the ground electronic state of RaF. Further, the magnetic hyperfine structure constants of Ra-223 in RaF and Ra-223(+) are also calculated and compared with the experimental values wherever available to judge the extent of the accuracy obtained with the employed methods. The outcome of our study reveals that the Z-vector method is superior to the expectation-value approach in terms of accuracy obtained for the calculation of ground-state property. The Z-vector calculation shows that RaF has a high Eeff (52.5 GV/cm) and W-s (141.2 kHz), which makes it a potential candidate for the electric dipole moment of the electron (eEDM) experiment. An estimation of uncertainty associated with our final results is made, and it is found that it lies below 10\%.

}, issn = {2469-9926}, doi = {10.1103/PhysRevA.93.062506}, author = {Sasmal, Sudip and Pathak, Himadri and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {42619, title = {Relativistic equation-of-motion coupled-cluster method for the electron attachment problem}, journal = {Computational and Theoretical Chemistry}, volume = {1076}, year = {2016}, month = {JAN}, pages = {94-100}, abstract = {

The article considers the successful implementation of relativistic equation-of-motion coupled cluster method for the electron attachment problem (EA-EOMCC) at the level of single- and double- excitation approximation. The implemented relativistic EA-EOMCC method is employed to calculate ionization potential values of alkali metal atoms (Li, Na, K, Rb, Cs, Fr) and the vertical electron affinity values of LiX (X = H, F, Cl, Br), NaY (Y = H, F, Cl) starting from their closed-shell configuration. Both four component and exact two-component calculations are done for all the opted systems. Further, we have shown the effect of spin-orbit interaction considering the atomic systems. The results of our atomic calculations are compared with the values from the NIST database and the results are found to be very accurate (\<1\%). (C) 2015 Elsevier B.V. All rights reserved.

}, doi = {10.1016/j.comptc.2015.12.015}, author = {Pathak, Himadri and Sasmal, Sudip and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {45870, title = {Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction: application to ionization potential}, journal = {Journal of Chemical Physics}, volume = {145}, year = {2016}, month = {AUG}, type = {Article}, chapter = {074110}, abstract = {The open-shell reference relativistic equation-of-motion coupled-cluster method within its four-component description is successfully implemented with the consideration of single- and double- excitation approximations using the Dirac-Coulomb Hamiltonian. At the first attempt, the implemented method is employed to calculate ionization potential value of heavy atomic (Ag, Cs, Au, Fr, and Lr) and molecular (HgH and PbF) systems, where the effect of relativity does really matter to obtain highly accurate results. Not only the relativistic effect but also the effect of electron correlation is crucial in these heavy atomic and molecular systems. To justify the fact, we have taken two further approximations in the four-component relativistic equation-of-motion framework to quantify how the effect of electron correlation plays a role in the calculated values at different levels of theory. All these calculated results are compared with the available experimental data as well as with other theoretically calculated values to judge the extent of accuracy obtained in our calculations. }, doi = {10.1063/1.4960954}, author = {Pathak, H. and Sasmal, S. and Nayak, M. K. and Vaval, N. and Pal, S.} } @article {45871, title = {Relevance of small laboratory animals as models in translational research: challenges and road ahead}, journal = {Journal of Applied Pharmaceutical Science}, volume = {6}, year = {2016}, month = {MAY}, pages = {198-209}, type = {Article}, abstract = {Translational research using small laboratory animals is being done to demonstrate proof of concept, to study pharmacokinetics as well as to understand efficacy and safety of new drug molecules. During the evaluation of a drug candidate, the assessment of efficacy and safety is normally performed in different experiments using various animal models. In such experiments, efficacy is assessed by mimicking the disease state in animal model while safety is investigated in healthy animals. Inventing new drugs using biotechnological and nanotechnological approaches is becoming a major thrust area in drug research. Apart from this, the development of medicine from traditional knowledge like Ayurveda has emerged as major area for drug industry. Use of conventional in-vivo approaches may not prove useful to answer many questions. Transgenic/knock-out/knock-in animals are now getting space in pharmaceutical research for target identification and validation. Predictability of in-vivo research depends on scientific protocols and methods adopted for model selection and development. Various alternative approaches for in-vivo research are being followed. It is a fact that no animal model is 100 \% capable of mimicking the complex human body but still, researchers have not yet found any alternative model which can completely replace in-vivo models. This review is a holistic approach explaining the various animal models being used for translational research, animal ethical issues, alternative approaches available and provides a critical analysis of major issues/challenges faced in translational research using in-vivo approaches. }, doi = {10.7324/JAPS.2016.60531}, author = {Siddiqui, E. A. and Jagdale, P. and Ahire, K. and Jadhav, S. and Khan, S. A. and Bhosle, S. and Pal, A. and Jamdagni, P. and Chaudhari, B.} } @article { ISI:000373762400005, title = {Reporter nanoparticle that monitors its anticancer efficacy in real time}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {113}, number = {15}, year = {2016}, month = {APR}, pages = {E2104-E2113}, publisher = {NATL ACAD SCIENCES}, address = {2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA}, abstract = {

The ability to monitor the efficacy of an anticancer treatment in real time can have a critical effect on the outcome. Currently, clinical readouts of efficacy rely on indirect or anatomic measurements, which occur over prolonged time scales postchemotherapy or postimmunotherapy and may not be concordant with the actual effect. Here we describe the biology-inspired engineering of a simple 2-in-1 reporter nanoparticle that not only delivers a cytotoxic or an immunotherapy payload to the tumor but also reports back on the efficacy in real time. The reporter nanoparticles are engineered from a novel two-staged stimuli-responsive polymeric material with an optimal ratio of an enzyme-cleavable drug or immunotherapy (effector elements) and a drug function-activatable reporter element. The spatiotemporally constrained delivery of the effector and the reporter elements in a single nanoparticle produces maximum signal enhancement due to the availability of the reporter element in the same cell as the drug, thereby effectively capturing the temporal apoptosis process. Using chemotherapy-sensitive and chemotherapy-resistant tumors in vivo, we show that the reporter nanoparticles can provide a real-time noninvasive readout of tumor response to chemotherapy. The reporter nanoparticle can also monitor the efficacy of immune checkpoint inhibition in melanoma. The self-reporting capability, for the first time to our knowledge, captures an anticancer nanoparticle in action in vivo.

}, keywords = {chemotherapy, immunotherapy, monitoring, nanoparticle, reporter}, issn = {0027-8424}, doi = {10.1073/pnas.1603455113}, author = {Kulkarni, Ashish and Rao, Poornima and Natarajan, Siva and Goldman, Aaron and Sabbisetti, Venkata S. and Khater, Yashika and Korimerla, Navya and Chandrasekar, Vineethkrishna and Mashelkar, Raghunath Anant and Sengupta, Shiladitya} } @article {42900, title = {Repurposing of a drug scaffold: identification of novel sila analogues of rimonabant as potent antitubercular agents}, journal = {European Journal of Medicinal Chemistry}, volume = {122}, year = {2016}, month = {OCT}, pages = {723-730}, abstract = {

The structural similarity between an MmpL3 inhibitor BM212, and a cannabinoid receptor modulator rimonabant, prompted us to investigate the anti-tubercular activity of rimonabant and its analogues. Further optimization, particularly through incorporation of silicon into the scaffold, resulted in new compounds with significant improvement in anti-tubercular activity against Mycobacterium tuberculosis (H37Rv). The sila analogue 18a was found to be the most potent antimycobacterial compound (MIC, 31 ng/mL) from this series with an excellent selectivity index. (C) 2016 Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.ejmech.2016.07.009}, author = {Ramesh, Remya and Shingare, Rahul D. and Kumar, Vinod and Anand, Amitesh and Swetha, B. and Veeraraghavan, Sridhar and Viswanadha, Srikant and Ummanni, Ramesh and Gokhale, Rajesh S. and Reddy, D. Srinivasa} } @article { ISI:000374876700814, title = {Repurposing of old drugs: identification of novel sila analogues of rimonabant as potent antitubercular agents}, journal = {International Journal of Infectious Diseases}, volume = {45}, number = {1}, year = {2016}, month = {APR}, pages = {407-408}, publisher = {ELSEVIER SCI LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, issn = {1201-9712}, doi = {10.1016/j.ijid.2016.02.870}, author = {Ramesh, R. and Shingare, R. and Anand, Amitesh and Veeraraghavan, S. and Viswanadha, S. and Ummanni, R. and Gokhale, R. and Reddy, D. S.} } @article { ISI:000374349600022, title = {Residue dependent hydrogen-bonding preferences in orthanilic acid-based short peptide beta-turn motifs}, journal = {RSC Advances}, volume = {6}, number = {42}, year = {2016}, month = {MAR}, pages = {35328-35331}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

This communication describes the competition between native beta-turn (C10) and 2-aminobenzenesulfonic acid (SAnt)( orthanilic acid)-based pseudo beta-turn (C11) in their hybrid peptides. Solid-state crystal structure and solution-state NMR studies revealed that C10 and C11 can be simultaneously observed under appropriate conditions. The variable temperature NMR coefficient data suggest that the isolated C11/C14 hydrogen bond is weaker in comparison with the consecutive C10 and C11 turns.

}, issn = {2046-2069}, doi = {10.1039/c6ra05684a}, author = {Jedhe, Ganesh S. and Vijayadas, Kuruppanthara N. and Kotmale, Amol S. and Sangtani, Ekta and Shinde, Dinesh R. and Gonnade, Rajesh G. and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @article { ISI:000373481000005, title = {Restricted diet breadth of the larvae of antheraea assamensis and the role of the labrum-epipharynx and galeal sensilla}, journal = {Entomological Research}, volume = {46}, number = {2}, year = {2016}, month = {MAR}, pages = {128-138}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

The silkworm, Antheraea assamensisHelfer (Lepidoptera: Saturniidae), grows primarily on Persea bombycina and Litsea polyantha. To understand if the restricted diet breadth is due to the specific role of gustatory sensilla of the larvae of A.assamensis, the same fifth instar larvae retaining only labrum-epipharynx or galeal sensilla were subjected to food choice tests. The foods used were leaves of two host-plant and two non-host-plant species. Mean per cent consumption and per cent of choosing larvae were used as parameters for drawing conclusions. The finding indicated involvement of the labrum-epipharynx for acceptance and galeal sensilla for rejection of a non-host-plant species. Scanning electron microscope studies revealed the presence of two sensilla on the galea, one lateral and one medial sensilla styloconicum and two gustatory sensilla in the epipharynx of A.assamensis. The study revealed the key role of galeal sensilla in the restrictive diet-breadth of A.assamensis.

}, keywords = {food choice, galea, gustatory organs, labrum}, issn = {1738-2297}, doi = {10.1111/1748-5967.12159}, author = {Bora, Dipsikha S. and Deka, Bhabesh and Sen, Avolikiteswar} } @article { ISI:000371664700022, title = {Rhodium-catalyzed ortho C-H bond activation of arylamines for the synthesis of quinoline carboxylates}, journal = {Organic \& Biomolecular Chemistry}, volume = {14}, number = {10}, year = {2016}, month = {FEB}, pages = {2969-2977}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The rhodium catalyzed annulation of anilines with alkynic esters allowing for the high-yield synthesis of quinoline carboxylates with excellent regioselectivity is described. This unprecedented reaction employs either formic acid as the C1 source and reductant or copper(II) as the oxidant and is proposed to proceed via rhodacycle of in situ generated amide and enamine ester followed by ortho C-H activation of arylamines with rhodium as the catalyst.

}, issn = {1477-0520}, doi = {10.1039/c6ob00170j}, author = {Gadakh, Sunita K. and Dey, Soumen and Sudalai, A.} } @article {43591, title = {Role of acceptor strength on OFET properties of small molecular organic semiconducting materials with D-A-D architecture}, journal = {Synthetic Metals}, volume = {220}, year = {2016}, month = {OCT}, pages = {236-246}, abstract = {Two organic semiconducting materials 2,5-didodecyl-3,6-bis(4-(11-dodecyl-11H-benzo[a]carbazol-8yl)phenyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione. (BCDPP) and 1,5-didodecyl-3,7-bis(4-(11-dodecyl-11H-benzo[a]carbazol-8-yl)phenyl)dipyrrolo[3,2-b:3{\textquoteright},2{\textquoteright}-e]pyrazine-2,6(1H,5H)-dione (BCPzDP) with D-A-D architecture have been designed, synthesized and well characterized. Both the materials have benzocarbazole donor end-capping units. While BCDPP contains well explored diketopyrrolopyrrole (DPP), BCPzDP possesses electron deficient dipyrrolopyrazinedione (PzDP) as acceptor moiety. The importance of the nature of acceptor moiety in tuning the charge transport properties of the synthesized materials is explored. Thermal, photo-physical and electrochemical properties of these materials are measured and solution processed OFETs are fabricated. OFETs with BCDPP show unipolar p-type semiconducting properties with hole mobility of 1.02 x 10(-4) cm(2) V-1 s(-1) and OFETs of BCPzDP exhibit ambipolar charge transport behaviour with optimal saturation hole and electron mobilities of 0.0054 and 0.0013 cm(2) V-1 s(-1), respectively. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.synthmet.2016.06.006}, author = {Sasikumar, M. and Bharath, D. and Kumar, G. Siva and Chereddy, Narendra Reddy and Chithiravel, S. and Krishnamoorthy, K. and Shanigaram, Balaiah and Bhanuprakash, K. and Rao, V. Jayathirtha} } @conference {45823, title = {Role of Rhamnolipid: A biosurfactant in methane gas hydrate formation kinetics}, booktitle = {Proceedings of The First International Conference on Recent Advances in Bioenergy Research}, year = {2016}, month = {FEB}, publisher = {Sardar Swaran Singh Natl Inst Bio-Energy}, organization = {Sardar Swaran Singh Natl Inst Bio-Energy}, address = {7th Floor, Vijaya Building, 17, Barakhamba Rd, New Delhi, 110 001, India}, abstract = {

Naturally occurring methane gas hydrate is a vast source of methane gas which is trapped in crystalline ice-like structure present in permafrost regions and under the sea in outer continental margins. It is purposed that total amount of carbon in the form of methane hydrates is almost twice the carbon content in all the fossil fuel reserves put together, and hence these are supposed to be the future potential energy resource. This paper investigates the laboratory investigations on effect of a biosurfactant rhamnolipid on methane hydrate formation kinetics. Rhamnolipid was produced by Pseudomonas aeruginosa strain A11. The presence of P. aeruginosa has been reported in Gulf of Mexico gas hydrate samples. Biosurfactant reduced the surface tension of water from 72 to 36 mN/m with CMC of 70 mg/L. The biosurfactant dose is studied at two different concentrations in the solution at 100 and 1000 ppm. Kinetic of hydrate formation and growth is compared at 0, 100, and 1000 ppm of rhamnolipid showing that rhamnolipid acts as a hydrate promoter at these concentrations. Thus, small dosages of rhamnolipids produced by P. aeruginosa strain A11 must clearly affect the gas hydrate formation kinetics in natural sites (as in Gulf of Mexico).

}, keywords = {Induction time, methane hydrate, Potential energy resource, Pseudomonas aeruginosa, Rhamnolipid}, isbn = {978-81-322-2773-1; 978-81-322-2771-7}, doi = {10.1007/978-81-322-2773-1_25}, author = {Arora, Amit and Cameotra, Swaranjit Singh and Kumar, Rajnish and Singh, Anil Kumar and Kumar, Pushpendra and Balomajumder, Chandrajit and Laik, Sukumar}, editor = {Kumar, S and Khanal, SK and Yadav, YK} } @article { ISI:000375520100009, title = {RuO2 center dot nH(2)O nanoparticles anchored on carbon nano-onions: an efficient electrode for solid state flexible electrochemical supercapacitor}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {4}, number = {5}, year = {2016}, month = {MAY}, pages = {2528-2534}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A flexible solid state electrochemical capacitor based on hydrous RuO2 nanoparticles, supported onto the nonporous and highly accessible ion adsorptive carbon nano onions (CNOs), is fabricated in a novel process of modifying a conducting carbon paper to a flexible conducting substrate, separated with a poly(vinyl alcohol)/H2SO4 gel electrolyte. The sol-gel technique tends to form homogeneously dispersed RuO2 nanoparticles with the average size of similar to 2.3 nm on the positive surface curvatures of multilayer fullerene (CNOs), which helps the high diffusivity of ions in both the aqueous and solid state gel electrolytes. The flexible substrate worked excellently as an electrical conductor as well as a stable mechanical support. This solid state flexible energy storage device showed a maximum energy density of 10.62 Whkg(-1) and a maximum power density of 4.456 kWkg(-1) for the hydrous RuO2/CNOs nanocomposite with 94.47\% cycling stability even after 4000 cycles.

}, keywords = {Carbon nano-onions, Electrochemical capacitor, Flexible conducting substrate, Flexible energy storage device, Hydrous ruthenium oxide nanoparticles}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.5b01627}, author = {Muniraj, Vedi Kuyil Azhagan and Kamaja, Chaitanya Krishna and Shelke, Manjusha V.} } @article {45633, title = {Ru-TiO2 semiconducting nanoparticles for the photo-catalytic degradation of bromothymol blue}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {27}, year = {2016}, month = {DEC}, pages = {13065-13074}, type = {Article}, abstract = {

Photo-catalytic degradation of bromothymol blue (BTB) in an aqueous medium by Ru-TiO2 using UVC (254 nm) irradiation was investigated for a pH range of 4.0-8.0. The liquid impregnation method was used to synthesize 0.2, 0.4 and 0.8 \% ruthenium doped TiO2 (Ru-TiO2) nanoparticles. The characterizations of resulting nanoparticles were done using X-ray diffraction, scanning electron microscopy, fourier transform infrared spectroscopy, transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy analysis. The crystallite sizes of doped and undoped nanoparticles were determined from X-ray diffraction spectra using Scherrer equation. The average crystallite size of undoped TiO2 was found to be 17.00 nm, whereas the crystallite sizes of 0.2, 0.4 and 0.8 \% Ru-TiO2 were 16.67, 15.70 and 14.40 nm respectively. The TEM images confirm the particle sizes to be 10-40 nm. Pseudo-first order rate constants (k(obs)) determined were found to decrease with increase in pH. The effect of BTB Concentration, catalyst dosage, a percentage of doping of photo catalyst, pH and UV light intensity of BTB on the degradation rate were also examined.

}, issn = {0957-4522}, doi = {10.1007/s10854-016-5449-6}, author = {Kulkarni, R. M. and Malladi, R. S. and Hanagadakar, M. S. and Doddamani, M. R. and Santhakumari, B. and Kulkarni, S. D.} } @inbook {45874, title = {Salvia miltiorrhiza: A medicinal herb from metabolites to pathway engineering}, booktitle = {Medicinal plants - recent advances in research and development}, year = {2016}, pages = {215-238}, publisher = {Springer }, organization = {Springer }, address = {Singapore}, abstract = {The dried, red-colored roots of Salvia miltiorrhiza (Lamiaceae) also called {\textquotedblleft}danshen{\textquotedblright} in colloquial language in China have been used in traditional Chinese medicine for thousands of years to treat hypertension and other cardiovascular ailments. The main constituents of danshen are hydrophilic phenolic acids and lipophilic tanshinones. The various uses of danshen in traditional as well as modern medicines have motivated an intensive research on compounds in S. miltiorrhiza. In recent years, more than 110 compounds have been isolated from S. miltiorrhiza and their structure was identified. Tanshinones and their derivatives have been demonstrated to possess properties of slowing down or curing various ailments related to cardiovascular, cerebrovascular, respiratory, liver, nervous system, cancer, Alzheimer{\textquoteright}s, and Parkinson{\textquoteright}s diseases. With the increasing demand of this herb, an unrestricted collection to supply raw materials and the extraction of its constituents have severely threatened the natural habitats of S miltiorrhiza. This has prompted the researchers to develop alternative strategies for metabolite production. Several in vitro methodologies have been established to generate callus, cell suspension culture, hairy roots, and plant regeneration. Different regulators and elicitors for plant growth have been employed to enhance levels of different constituents. The advent of sequencing technologies, whole genome, and expression data has helped to provide insights and identification of pathway genes involved in the biosynthesis. This book chapter gives a brief description of in vitro methodologies, use of different elicitors, gene functions, genetic modifications, expression profiling for a better understanding, and enhancement of the constituents in S. miltiorrhiza. }, doi = {10.1007/978-981-10-1085-9_8}, author = {Gupta, S. K. and Sharma, P. and Agrawal, D. C. and Tsay, H.-S.} } @article {42621, title = {Search for parity and time reversal violating effects in HgH: relativistic coupled-cluster study}, journal = {Journal of Chemical Physics}, volume = {144}, year = {2016}, month = {MAR}, pages = {Article No. 124307}, abstract = {

The high effective electric field (E-eff) experienced by the unpaired electron in an atom or a molecule is one of the key ingredients in the success of electron electric dipole moment (eEDM) experiment and its precise calculation requires a very accurate theory. We, therefore, employed the Z-vector method in the relativistic coupled-cluster framework and found that HgH has a very large E-eff value (123.2 GV/cm) which makes it a potential candidate for the next generation eEDM experiment. Our study also reveals that it has a large scalar-pseudoscalar (S-PS) P, T-violating interaction constant, W-s = 284.2 kHz. To judge the accuracy of the obtained results, we have calculated parallel and perpendicular magnetic hyperfine structure (HFS) constants and compared with the available experimental values. The results of our calculation are found to be in nice agreement with the experimental values. Therefore, by looking at the HFS results, we can say that both E-eff and W-s values are also very accurate. Further, We have derived the relationship between these quantities and the ratio which will help to get model independent value of eEDM and S-PS interaction constant. (C) 2016 AIP Publishing LLC.

}, doi = {10.1063/1.4944673}, author = {Sasmal, Sudip and Pathak, Himadri and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article { ISI:000369658100031, title = {Seeding of Au on CdSe/CdS nanoplates using Langmuir-Blodgett technique}, journal = {RSC Advances}, volume = {6}, number = {18}, year = {2016}, month = {JAN}, pages = {14658-14665}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Oleyl amine capped CdSe/CdS nanoplates were synthesized by hot injection technique which formed a stable monolayer over both a water subphase and an aqueous HAuCl4 subphase using a Langmuir-Blodgett trough. Au islands were generated at the edge as well as on one specific surface of the flat nanoplates by exploiting the reducing capacity of oleyl amine to form Au nanoseeds from AuCl4- ions. The initial Au nanoseeds changed to a shell surrounding these nanoplates on prolonged exposure to the subphase containing the Au precursor. Monolayer of the hybrid structures was deposited onto suitable substrates for characterization by a number of different techniques and to study the photocatalytic activity. The same substrate with the monolayers could be re-used in several cycles of photocatalysis.

}, issn = {2046-2069}, doi = {10.1039/c5ra26018c}, author = {Das, Subhasis and Satpati, Biswarup and Chauhan, Himani and Deka, Sasanka and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {42546, title = {Selectivity engineering of the diazotization reaction in a continuous flow reactor}, journal = {Reaction Chemistry \& Engineering}, volume = {1}, year = {2016}, month = {APR}, pages = {387-396}, abstract = {

In situ generated diazonium salts are useful intermediates for the synthesis of fine chemicals and active pharmaceutical ingredients. This paper presents a methodology for selectivity engineering of the diazotization reaction in a continuous reactor. The yield of diazotization was found to depend on mixing, dispersion, reaction kinetics, operating temperature and residence time. Initially, experimental data and an isothermal axial dispersion model were used for estimating mixing time. A correlation for estimating mixing time for different flow reactors is proposed. The model predictions were compared with the experimental data. The validated axial dispersion model and Central Composite Design (CCD) were used to optimize diazotization in a straight tube reactor (1.78 mL). The model was then used for scaling-up of aniline diazotization from a straight tube reactor to a proprietary AmAR3 reactor (scale-up ratio of \~{}20). The initial concentration, inlet temperature, average heat capacity of the reaction mixture, mixing, residence time (distribution) and available heat transfer area per unit volume of the reactor were found to be the key parameters for scaling-up of the diazotization reaction. The presented approach and results will be useful to practicing chemists and engineers for enhancing the selectivity of diazotization reactions in continuous reactors.

}, doi = {10.1039/C5RE00056D}, author = {Shukla, C. A. and Kulkarni, Amol A. and Ranade, Vivek V.} } @article {43609, title = {Selenium-containing fused bicyclic heterocycle diselenolodiselenole: field effect transistorstudy and structure property relationship}, journal = {ACS Applied Materials \& Interfaces}, volume = {8}, year = {2016}, month = {JUL}, pages = {18222-18230}, abstract = {The first application of the diselenolodiselenole (C4Se4) heterocycle as an active organic field effect transistor materials is demonstrated here. C4Se4 derivatives (2a-2d) were obtained by using a newly developed straightforward diselenocyclization protocol, which includes the reaction of diynes with selenium powder at elevated temperature. C4Se4 derivatives exhibit strong donor characteristics and planar structure (except 2d). The atomic force microscopic analysis and thin-film X-ray diffraction pattern of compounds 2a-2d indicated the formation of distinct crystalline films that contain large domains. A scanning electron microscopy study of compound 2b showed development of symmetrical grains with an average diameter of 150 nm. Interestingly, 2b exhibited superior hole mobility, approaching 0.027 cm(2) V-1 s(-1) with a transconductance of 9.2 mu S. This study correlate the effect of p-stacking, Se center dot center dot center dot Se intermolecular interaction, and planarity with the charge transport properties and performance in the field effect transistor devices. We have shown that the planarity in C4Se4 derivatives was achieved by varying the end groups attached to the C4Se4 core. In turn, optoelectronic properties can also be tuned for all these derivatives by end-group variation.}, doi = {10.1021/acsami.6b02154}, author = {Debnath, Sashi and Chithiravel, Sundaresan and Sharma, Sagar and Bedi, Anjan and Krishnamoorthy, Kothandam and Zade, Sanjio S.} } @article { ISI:000382122200014, title = {Self-assembled vesicles of urea-tethered foldamers as hydrophobic drug carriers}, journal = {Chemical Communications}, volume = {52}, number = {71}, year = {2016}, month = {AUG}, pages = {10771-10774}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Molecular self-assembly of nonamphiphilic alpha,beta-hybrid foldamers based on urea-tethered anthranilic acid-proline (Ant-Pro) foldamers is reported. These self-assembled hollow vesicular architectures can take up and release the anticancer hydrophobic drug curcumin.

}, issn = {1359-7345}, doi = {10.1039/c6cc05079d}, author = {Ingole, Tukaram S. and Kale, Sangram S. and Sukumaran, Santhosh Babu and Sanjayan, Gangadhar J.} } @article { ISI:000374811300057, title = {Shape and size engineered cellulosic nanomaterials as broad spectrum anti-microbial compounds}, journal = {International Journal of Biological Macromolecules}, volume = {87}, year = {2016}, month = {JUN}, pages = {460-465}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Oxidized celluloses have been used for decades as antimicrobial wound gauzes and surgical cotton. We now report the successful synthesis of a next generation narrow size range (25-35 nm) spherical shaped nanoparticles of 2,3,6-tricarboxycellulose based on cellulose I structural features, for applications as new antimicrobial materials. This study adds to our previous study of 6-carboxycellulose. A wide range of bacteria such as Escherichia coli, Staphloccocus aureus, Bacillus subtilis and Mycobacterium tuberculosis (non-pathogenic as well as pathogenic strains) were affected by these polymers in in vitro studies. Activity against Mycobacteria were noted at high concentrations (MIC99 values 250-1000 mu g/ml, as compared to anti-TB drug Isoniazid 0.3 mu g/ml). However, the broad spectrum activity of oxidized celluloses and their nanoparticles against a wide range of bacteria, including Mycobacteria, show that these materials are promising new biocompatible and biodegradable drug delivery vehicles wherein they can play the dual role of being a drug encapsulant as well as a broad spectrum anti-microbial and anti-TB drug. (C) 2016 Published by Elsevier B.V.

}, keywords = {Anti-microbial, cellulose, Spherical nanoparticles, Tricarboxycellulose}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2016.02.024}, author = {Sharma, Priyanka R. and Kamble, Sunil and Sarkar, Dhiman and Anand, Amitesh and Varma, Anjanikumar} } @article { ISI:000372612600009, title = {Signatures of protein thermal denaturation and local hydrophobicity in domain specific hydration behavior: a comparative molecular dynamics study}, journal = {Molecular Biosystems}, volume = {12}, number = {4}, year = {2016}, month = {FEB}, pages = {1139-1150}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

We investigate, using atomistic molecular dynamics simulations, the association of surface hydration accompanying local unfolding in the mesophilic protein Yfh1 under a series of thermal conditions spanning its cold and heat denaturation temperatures. The results are benchmarked against the thermally stable protein, Ubq, and behavior at the maximum stability temperature. Local unfolding in Yfh1, predominantly in the beta sheet regions, is in qualitative agreement with recent solution NMR studies; the corresponding Ubq unfolding is not observed. Interestingly, all domains, except for the beta sheet domains of Yfh1, show increased effective surface hydrophobicity with increase in temperature, as reflected by the density fluctuations of the hydration layer. Velocity autocorrelation functions (VACF) of oxygen atoms of water within the hydration layers and the corresponding vibrational density of states (VDOS) are used to characterize alteration in dynamical behavior accompanying the temperature dependent local unfolding. Enhanced caging effects accompanying transverse oscillations of the water molecules are found to occur with the increase in temperature preferentially for the beta sheet domains of Yfh1. Helical domains of both proteins exhibit similar trends in VDOS with changes in temperature. This work demonstrates the existence of key signatures of the local onset of protein thermal denaturation in solvent dynamical behavior.

}, issn = {1742-206X}, doi = {10.1039/c6mb00017g}, author = {Chatterjee, Prathit and Sengupta, Neelanjana} } @inbook {43049, title = {Silanetriols and aluminosilicates}, booktitle = {Efficient methods for preparing silicon compounds}, year = {2016}, pages = {221-231}, publisher = {Academic Press, Elsevier}, organization = {Academic Press, Elsevier}, chapter = {17}, address = {Netherland}, author = {Sen, Sakya S. and Roesky, Herbert W.} } @article {42669, title = {Silver nanoparticles: a new perspective in endodontic therapy}, journal = {OAB Journal}, volume = {7}, year = {2016}, month = {JUN}, pages = { 77-81}, abstract = {

Silver has been in use in medicine since time immemorial because of its antimicrobial properties. But due to the emergence of antibiotics the use of silver has been declined. Several pathogenic bacteria have developed resistance against various antibiotics. This has led to reemergence of silver. Recently nano science and nanotechnology are gaining tremendous popularity. The small size of nanoparticles provides larger surface area and hence increases the effectiveness of nanoparticles. Silver nanoparticles are used in medical and dental applications ranging from silver based wound dressings, silver coated medicinal devices like catheters, endotrachial tubes, bone cements, in gels, lotions, cosmetics, in dental restorative materials, endodontic cements, dental implants caries inhibitory agents, and in prosthesis. The purpose of this article is to discuss briefly the potential role of silver nano particles in endodontic therapy.

}, author = {Jadhav, Rajashree and Bhide, Shrinivas and Bhagavatula L. V. Prasad and Kunchiraman, Bipinraj and Shimpi, Jayesh and Nandhini, Usha} } @article { ISI:000372425600066, title = {Simple, phosphine free, reusable Pd(II)-2,2 {\textquoteleft}-dihydroxybenzophenone-SBA-15 catalyst for arylation and hydrogenation reactions of alkenes}, journal = {New Journal of Chemistry}, volume = {40}, number = {3}, year = {2016}, month = {JAN}, pages = {2423-2432}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

An efficient, simple, phosphine and co-catalyst free C-C coupling reaction heterogeneous catalyst via a post grafting method is developed and reported. A covalently anchored phosphine free Pd(II) based 2,2{\textquoteright}-dihydroxybenzophenone (DHBP) complex over organofunctionalized SBA-15 has been synthesized by the reaction between aminofunctionalized SBA-15 (NH(2)SBA-15) and a 2,2{\textquoteright}-dihydroxybenzophenone (DHBP) ligand, and further complexation with Pd(II)Cl-2 to get Pd(II)-DHBP@ SBA-15. The synthesized catalysts were characterized by elemental analysis, XRD, N-2 sorption analyses, TG, DTA, FT-IR, solid state C-13 and Si-29 NMR spectra, XPS, UV-Visible, SEM, EDAX and TEM. The synthesized catalysts were screened in arylation (Heck reactions) and hydrogenation reactions of alkenes, and the results show that Pd(II)-DHBP@ SBA-15 exhibits high conversion and selectivity towards arylation and hydrogenation reactions of alkenes with high stability. The anchored solid catalysts can be recycled effectively and reused several times without major loss in activity.

}, issn = {1144-0546}, doi = {10.1039/c5nj02686e}, author = {Lazar, Anish and Vinod, Chathakudath P. and Singh, Anand Pal} } @article { ISI:000381122100030, title = {Single pot transfer hydrogenation and aldolization of furfural over metal oxide catalysts}, journal = {Catalysis Letters}, volume = {146}, number = {8}, year = {2016}, month = {AUG}, pages = {1611-1619}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

One pot catalytic transfer hydrogenation (CTH) of furfural to furfuryl alcohol (FAL) by using hydrogen producing alcohols and simultaneous aldolization of carbonyl compounds produced during CTH, with furfural was achieved over non-noble metal oxides with bifunctional sites. Basic sites of MgO responsible for abstraction of proton showed complete conversion of furfural to give FAL and C8 monomer in a ratio of 3:1, respectively, the later altered to 1:1 by incorporating Al into MgO. Catalyst stability was established by its four cycles study. [GRAPHICS]

}, keywords = {Aldol, furfural, Furfuryl alcohol, Metal oxides, transfer hydrogenation}, issn = {1011-372X}, doi = {10.1007/s10562-016-1786-6}, author = {Biradar, Narayan S. and Hengne, Amol M. and Sakate, S. S. and Swami, R. K. and Rode, Chandrashekhar V.} } @article { ISI:000380038000012, title = {Site-selective synthesis and characterization of BODIPY-acetylene copolymers and their transistor properties}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {54}, number = {13}, year = {2016}, month = {JUL}, pages = {1978-1986}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

To study the effect of site-selective copolymerization of borondipyrromethene (BODIPY) with acetylene on the structural and optoelectronic properties, three copolymers P1-P3 were synthesized by the Sonogashira cross-coupling of BODIPY units with diacetylene and bromine capping through all the possible linkages: alpha-alpha (P1), alpha-beta (P2), and beta-beta (P3). The optoelectronic properties of the polymers were investigated systematically to understand the effect of site-selective polymerization. The HOMO levels of the polymers were significantly tuned from P1 to P3 with negligible change in the LUMO levels. Broadening of absorption spectra from P3 to P1 was observed because of increase in the extent of conjugation. Additionally, the charge transport properties of these polymers in organic thin-film transistors (OTFTs) revealed that P1 and P3 exhibited only p-type mobility, whereas P2 exhibited electron mobility. Notably, the further investigations of the surface morphology of polymer films by atomic force microscopy (AFM) unveiled that comb like nanostructural arrangements in P3 was beneficial for the charge-carrier mobility over the circular arrangements in P1 and P2. (C) 2016 Wiley Periodicals, Inc.

}, keywords = {acetylene, BODIPY, DFT, low-band gap}, issn = {0887-624X}, doi = {10.1002/pola.28064}, author = {Debnath, Sashi and Singh, Saumya and Bedi, Anjan and Krishnamoorthy, Kothandam and Zade, Sanjio S.} } @article { ISI:000372253200047, title = {Situ fabrication of highly crystalline CdS decorated Bi2S3 nanowires (nano-heterostructure) for visible light photocatalyst application}, journal = {RSC Advances}, volume = {6}, number = {28}, year = {2016}, month = {FEB}, pages = {23508-23517}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In situ synthesis of the orthorhombic Bi2S3 nanowires decorated with hexagonal CdS nanoparticles (nano-heterostructure) has been demonstrated by a facile solvothermal method. The tiny 5-7 nm CdS spherical nanoparticles are decorated on the surfaces of 30-40 nm Bi2S3 nanowires, successfully. Structural, morphological and optical studies clearly show the existence of CdS on the nanowires. A possible sequential deposition growth mechanism is proposed on the basis of experimental results to reveal the formation of the nano heterostructure. The heterostructures have been used as a photocatalyst for hydrogen production as well as degradation of methylene blue under solar light. The maximum hydrogen evolution i.e. 4560 and 2340 mu mol h(-1) 0.5 g was obtained from H2S splitting and glycerol degradation for Bi2S3 NWs decorated with CdS nanoparticles (nano-heterostructure) which is higher than that of the Bi2S3 NWs (3000 and 1170 mu mol h(-1) 0.5 g, respectively). The enhanced photocatalytical hydrogen evolution efficiency of the heterostructures is mainly attributed to its nanostructure. In the nano heterostructure, the CdS nanoparticles control the charge carrier transition, recombination, and separation, while the Bi2S3 nanowire serves as a support for the CdS nanoparticles. The photogenerated electron{\textquoteright}s migration is faster than the holes from the inside of a CdS nanoparticle to its surface or to the phase interface, resulting in a relatively higher hole density inside the CdS nanoparticle leaving electron density at surface of the Bi2S3 NWs. This influences the photocatalytic activity under solar light. Such nano-heterostructures may have potential in other photocatalytic reactions.

}, issn = {2046-2069}, doi = {10.1039/c6ra01488g}, author = {Panmand, Rajendra P. and Sethi, Yogesh A. and Deokar, Rajashree S. and Late, Dattatray J. and Gholap, Haribhau M. and Baeg, Jin-Ook and Kale, Bharat B.} } @article { ISI:000369515700086, title = {Solution chemistry-based nano-structuring of copper dendrites for efficient use in catalysis and superhydrophobic surfaces}, journal = {RSC Advances}, volume = {6}, number = {10}, year = {2016}, month = {JAN}, pages = {8416-8430}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Despite their performance and economic advantages over Ag and Au, there have been no focused research efforts on the nano-structuring of Cu dendrites with respect to fine-tuning their structure/morphology towards the efficiency enhancement of suitable applications. Reported here is a simple, versatile, environmentally-friendly and galvanic replacement reaction-based solution chemistry methodology to synthesize highly nano-structured copper dendrites targeted towards the efficiency enhancement of desired applications. Herein, copper is deposited galvanically on an Al foil in the presence of NaCl/HCl, wherein the chloride anions augment an uninterrupted replacement reaction. The growth process of Cu dendrites has been probed in detail. The presence of acid, the type of Cu2+ precursor salt, the Cu2+ ion concentration, the surfactant concentration and the reaction temperature are all demonstrated to provide useful means of modulating the surface structure/morphology of the dendrites. Notably, dendrites formed in the presence of acid are found to be highly nano-structured. Moreover, it is also found that the morphology/structure of the obtained Cu deposit depends considerably upon the choice of the Cu2+ precursor salt, a parameter that has been completely overlooked in the past. The acid-induced nano-structuring of the dendrites is exploited for enhancing their efficiency in the catalytic reduction of para-nitrophenol and for fabricating self-cleaning superhydrophobic surfaces. These nano-structured dendrites are demonstrated to have the highest ever normalized rate constant for the catalytic reduction reaction. Superhydrophobic surfaces fabricated using these dendrites demonstrate excellent self-cleaning abilities, showing a high contact angle (159 degrees) with low contact angle hysteresis (2 degrees). This facile synthetic strategy for the fabrication of highly nano-structured Cu dendrites is expected to open up avenues for the production of Cu-based low-cost functional nano/micro-materials.

}, issn = {2046-2069}, doi = {10.1039/c5ra22683j}, author = {Bakthavatsalam, Rangarajan and Ghosh, Subrata and Biswas, Ratul Kumar and Saxena, Aayushi and Raja, Alagar and Thotiyl, Musthafa Ottakam and Wadhai, Sandip and Banpurkar, Arun G. and Kundu, Janardan} } @article { ISI:000381593700007, title = {Spectroscopy and catalytic activity study of gold supported on barium titanate nanotubes for styrene epoxidation}, journal = {Applied Catalysis A-General}, volume = {523}, year = {2016}, month = {AUG}, pages = {61-72}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Gold (0.5-5 wt.\%) supported on barium titanate nanotubes (Au/BaTNT) were prepared, characterized and for the first time, investigated as catalysts for selective oxidation of styrene with oxygen (O-2 or H-2 + O-2) and peroxides (H2O2 or TBHP). Conversion of styrene enhanced when H-2 was co-added to O-2 in the reactions. Au/BaTNT activated O-2 and H-2 and produced H2O2 in situ for use in oxidations. Peroxides were found better oxidants than O-2. At optimized conditions, styrene oxide selectivity of 80.1 wt.\% at styrene conversion of 60.5 wt.\% was achieved over Au(1 wt.\%)/BaTNT using TBHP. Au particles (5.0-7.4 nm) were dispersed and decorated on the walls of BaTNT. They exhibited superior performance to the known Au catalysts in styrene oxidation. Reactive oxygen species formed during oxidation reactions were followed with in situ spectral characterizations (diffuse reflectance UV-vis and FT -Raman). Au/BaTNT was reusable in four recycles with little loss in catalytic activity. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Au Nanoparticles, reactive oxygen species, spectroscopy, Styrene Oxidation, Titanate nanotubes}, issn = {0926-860X}, doi = {10.1016/j.apcata.2016.05.014}, author = {Nepak, Devadutta and Srinivas, Darbha} } @article {43641, title = {State-of-the-art catechol porphyrin COF catalyst for chemical fixation of carbon dioxide via cyclic carbonates and oxazolidinones}, journal = {Catalysis Science \& Technology}, volume = {6}, year = {2016}, month = {MAY}, pages = {6152-6158}, abstract = {A highly porous, crystalline catechol porphyrin COF was synthesized and applied as an organocatalyst for the chemical fixation of carbon dioxide to synthesize value-added chemicals such as cyclic carbonates and oxazolidinones under solvent-free and transition-metal-free conditions. The high surface area and the functionalities of the COF catalyst act synergistically to activate the starting material. The 2,3-DhaTph shows excellent activity towards cyclic carbonates at the atmospheric pressure of carbon dioxide. Additionally, this catalytic system is recyclable in nature and provides a higher turnover number than previously reported organocatalysts.}, doi = {10.1039/c6cy00362a}, author = {Saptal, Vitthal and Shinde, Digambar Balaji and Banerjee, Rahul and Bhanage, Bhalchandra M.} } @article {43001, title = {Stereoselective quenching of cedryl carbocation in epicedrol biosynthesis}, journal = {Tetrahedron Letters}, volume = {57}, year = {2016}, month = {MAR}, pages = {1161-1164}, abstract = {

Epicedrol synthase catalyzes the cyclization of achiral diphosphate substrate, (E,E)-farnesyldiphosphate (FPP) into epicedrol. GC-MS analysis of assay extracts obtained by incubating FPP with epicedrol synthase in 21.6 at \% H2(18)O buffer showed the molecular ion of 224 for epicedrol. The labeled oxygen study presented here unambiguously demonstrates that the hydroxyl group of the epicedrol synthase enzymatic product, epicedrol, is derived from a water molecule, not from the phosphate moiety of the FPP. (C) 2016 Elsevier Ltd. All rights reserved.

}, doi = {10.1016/j.tetlet.2016.01.109}, author = {Shinde, Sandip S. and Navale, Govinda R. and Said, Madhukar S. and Thulasiram, Hirekodathakallu V.} } @article {45638, title = {Strategic Preparation of Efficient and Durable NiCo Alloy Supported N-Doped Porous Graphene as an Oxygen Evolution Electrocatalyst: A Theoretical and Experimental Investigation}, journal = {Advanced Materials Interfaces}, volume = {3}, year = {2016}, month = {OCT }, pages = {1600532}, type = {Article}, abstract = {

Development of an efficient and durable water splitting electrocatalyst holds a great commitment for the future energy devices. The real application of oxygen evolution reaction (OER) catalysts mainly suffers from sluggish kinetics and high overpotential except for the Ir and Ru-based systems. However, the high cost and vulnerability of the Ir and Ru metals are the main hostiles to use them for marketization. Herein, a high-performance OER electrocatalyst consisting of NiCo alloy nanoparticles supported on high surface area N-doped porous graphene (NiCo/pNGr(75: 25)) is reported. The importance of the doped-N for achieving the uniform dispersion-cum-effective interaction of the size controlled NiCo alloy nanoparticles has been explicitly investigated by transmission electron microscopy, X-ray diffraction, X-ray photo electron spectroscopy, Raman, density functional theory (DFT) calculations, etc. The electrochemical analysis of NiCo/pNGr(75: 25) shows an overpotential of approximate to 260 mV at 10 mA cm(-2) with a smaller Tafel slope of approximate to 87 mV dec(-1) and long catalytic durability. DFT calculations are done to check the interaction between the NiCo alloy nanoparticles and the defective sites of pNGr and also with the doped-N, which could be attained for maintaining long catalytic durability. Furthermore, NiCo/pNGr(75: 25) is used as an OER catalyst to fabricate an electrolyzer, which works at very low potential of 1.5 V in 1 M KOH.

}, issn = {2196-7350}, doi = {10.1002/admi.201600532}, author = {Singh, Santosh K. and Kumar, Deepak and Dhavale, Vishal M. and Pal, Sourav and Kurungot, Sreekumar} } @article { ISI:000370135100007, title = {Streptomyces lonarensis sp nov., isolated from lonar lake, a meteorite salt water lake in India}, journal = {Antonie Van Leeuwenhoek International Journal of General and Molecular Microbiology}, volume = {109}, number = {2}, year = {2016}, month = {FEB}, pages = {225-235}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

A novel alkaliphilic actinomycete, strain NCL716(T), was isolated from a soil sample collected from the vicinity of Lonar Lake, an alkaline salt water meteorite lake in Buldhana district of Maharashtra State in India. The strain was characterised using a polyphasic taxonomic approach which confirmed that it belongs to the genus Streptomyces. Growth was observed over a pH range of 7-11 at 28 A degrees C. The cell wall was found to contain ll-diaminopimelic acid and traces of meso-diaminopimelic acid. The major fatty acid components were identified as iso-C-16:0 (46.8 \%), C-17:1 (12.4 \%), anteiso-C-15:0 (5.1 \%) and anteiso-C-17:1 (4.8 \%). The major polar lipids were identified as diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol and phosphatidylinositol. The major menaquinones were determined to be MK-9 (H-6) (70.3 \%), MK-9 (H-4) (15.5 \%) and MK-9 (H-8) (7.2 \%). The G+C content of the DNA of the type strain was determined to be 71.4 mol \%. The 16S rRNA gene sequence has been deposited in GenBank with accession number FJ919811. Although the 16S rRNA gene sequence analysis revealed that strain NCL716(T) shares \> 99 \% similarity with that of Streptomyces bohaiensis strain 11A07(T), DNA-DNA hybridization revealed only 33.2 +/- A 3.0 \% relatedness between them. Moreover, these two strains can be readily distinguished by some distinct phenotypic characteristics. Hence, on the basis of phenotypic and genetic analyses, it is proposed that strain NCL716(T) represents a novel species of the genus Streptomyces, for which the name Streptomyces lonarensis sp. nov., is proposed. The type strain is NCL 716(T) (=DSM 42084(T) = MTCC 11708(T) = KCTC 39684(T)).

}, keywords = {Alkaliphile, DDH analysis, Polyphasic taxonomy, Streptomyces lonarensis sp nov.}, issn = {0003-6072}, doi = {10.1007/s10482-015-0626-9}, author = {Sharma, Trupti K. and Mawlankar, Rahul R. and Sonalkar, Vidya V. and Shinde, Vidhya K. and Zhan, Jing and Li, Wen-Jun and Rele, Meenakshi V. and Dastager, Syed Gulam and Kumar, Lalitha Sunil} } @article { ISI:000368973000001, title = {Structural analysis of a penicillin V acylase from pectobacterium atrosepticum confirms the importance of two Trp residues for activity and specificity}, journal = {Journal of Structural Biology}, volume = {193}, number = {2}, year = {2016}, month = {FEB}, pages = {85-94}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Penicillin V acylases (PVA) catalyze the deacylation of the beta-lactam antibiotic phenoxymethylpenicillin (Pen V). They are members of the Ntn hydrolase family and possess an N-terminal cysteine as the main catalytic nucleophile residue. They form the evolutionarily related cholylglycine hydrolase (CGH) group which includes bile salt hydrolases (BSH) responsible for bile deconjugation. Even though a few PVA and BSH structures have been reported, no structure of a functional PVA from Gram-negative bacteria is available. Here, we report the crystal structure of a highly active PVA from Gram-negative Pectobacterium atrosepticum (PaPVA) at 2.5 angstrom resolution. Structural comparison with PVAs from Gram-positive bacteria revealed that PaPVA had a distinctive tetrameric structure and active site organization. In addition, mutagenesis of key active site residues and biochemical characterization of the resultant variants elucidated the role of these residues in substrate binding and catalysis. The importance of residue Trp23 and Trp87 side chains in binding and correct positioning of Pen V by PVAs was confirmed using mutagenesis and substrate docking with a 15 ns molecular dynamics simulation. These results establish the unique nature of Gram-negative CGHs and necessitate further research about their substrate spectrum. (C) 2015 Elsevier Inc. All rights reserved.

}, keywords = {Aromatic stacking, Cholylglycine hydrolase, molecular dynamics, Mutagenesis, Oligomeric interactions}, issn = {1047-8477}, doi = {10.1016/j.jsb.2015.12.008}, author = {Avinash, Vellore Sunder and Panigrahi, Priyabrata and Chand, Deepak and Pundle, Archana and Suresh, Cheravakattu Gopalan and Ramasamy, Sureshkumar} } @article { ISI:000373935600005, title = {Structural insight of NICD-MAML interactions: virtual screening, docking and molecular dynamics study for the identification of potential inhibitor}, journal = {Letters in Drug Design \& Discovery}, volume = {13}, number = {4}, year = {2016}, month = {JAN}, pages = {301-313}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Activation of Notch signalling pathway is triggered by binding of NICD to transcription factor CSL and transcriptional co-activator MAML, which involves in various biological functions as well as progression of diseases. Recent prediction shows suppression of cancer causing genes of this pathway through inhibition of NICD-MAML interaction. Through virtual screening against {\textquoteleft}{\textquoteleft}NCI Diversity 3{\textquoteright}{\textquoteright} of Zinc database, we identified a potential inhibitor {\textquoteleft}{\textquoteleft}ZINC01690699{\textquoteright}{\textquoteright} (1-N,4-N-bis[3-(1H-benzimidazol-2-yl)phenyl]benzene-1,4-dicarboxamide; 1-N, 4-dicarboxamide) possessing highest binding affinity to block the two distinct Binding Sites of NICD to inhibit NICD-MAML interaction and also found the most imperative and essential Binding Site (Site I). Inhibition of this interaction caused by binding of ZINC01690699 is validated by protein-protein docking and the prolonged binding as well as stability of NICD-Inhibitor complex is supported by molecular dynamics simulation. The study not only identifies the best inhibitor but also proposes a potential drug for the treatment of cancers.

}, keywords = {free energy of binding, MAML, NICD, Notch signalling, potential inhibitor, ZINC01690699}, issn = {1570-1808}, doi = {10.2174/1570180812666150819003634}, author = {Sinha, Noopur and Chowdhury, Saikat and Sarkar, Ram Rup} } @article { ISI:000374037600002, title = {Structural insights and functional implications of inter-individual variability in beta(2)-adrenergic receptor}, journal = {Scientific Reports}, volume = {6}, year = {2016}, month = {APR}, pages = {24379}, publisher = {NATURE PUBLISHING GROUP}, address = {MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND}, abstract = {

The human beta(2)-adrenergic receptor (beta(2)AR) belongs to the G protein-coupled receptor (GPCR) family and due to its central role in bronchodilation, is an important drug target. The inter-individual variability in beta(2)AR has been implicated in disease susceptibility and differential drug response. In this work, we identified nine potentially deleterious non-synonymous single nucleotide polymorphisms (nsSNPs) using a consensus approach. The deleterious nsSNPs were found to cluster near the ligand binding site and towards the G-protein binding site. To assess their molecular level effects, we built structural models of these receptors and performed atomistic molecular dynamics simulations. Most notably, in the Phe290Ser variant we observed the rotameric flip of Trp286(6.48), a putative activation switch that has not been reported in beta(2)AR thus far. In contrast, the variant Met82Lys was found to be the most detrimental to epinephrine binding. Additionally, a few of the nsSNPs were seen to cause perturbations to the lipid bilayer, while a few lead to differences at the G-protein coupling site. We are thus able to classify the variants as ranging from activating to damaging, prioritising them for experimental studies.

}, issn = {2045-2322}, doi = {10.1038/srep24379}, author = {Tandale, Aditi and Joshi, Manali and Sengupta, Durba} } @article {45643, title = {Structural-functional insights and studies on saccharide binding of Sophora japonica seed lectin}, journal = {International Journal of Biological Macromolecules}, volume = {91}, year = {2016}, month = {OCT}, pages = {75-84}, type = {Article}, abstract = {

Functional and conformational transitions of the Sophora japonica seed lectin (SJL) were studied in detail using bioinformatics and biophysical tools. Homology model of the lectin displayed all the characteristics of the legume lectin monomer and the experimental observations correlated well with the structural information. In silico studies were performed by protein-ligand docking, calculating the respective binding energies and the residues involved in the interactions were derived from LigPlot(+) analysis. Fluorescence titrations showed three times higher affinity of T-antigen disaccharide than N-acetyl galactosamine (GaINAc) towards SJL indicating extended sugar binding site of the lectin. Thermodynamic parameters of T-antigen binding to SJL indicated the process to be endothermic and entropically driven while those of GaINAc showed biphasic process. SDS-PAGE showed post-translationally modified homotetrameric species of the lectin under native conditions. In presence of guanidine hydrochloride (0.5-5.0 M), the tetramer first dissociated into dimers followed by unfolding of the protein as indicated by size exclusion chromatography, fluorescence and CD spectroscopy. Different structural rearrangements were observed during thermal denaturation of SJL at physiological pH 7.2, native pH 8.5 and molten globule inducing pH 1.0. Topological information revealed by solute quenching studies at respective pH indicated differential hydrophobic environment and charge density around tryptophan residues. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Dissociation, docking, Homology model, Ligand binding, Sophora japonica seed lectin, Thermal transitions}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2016.05.047}, author = {Yadav, Priya and Shahane, Ganesh and Ramasamy, Sureshkumar and Sengupta, Durba and Gaikwad, Sushama} } @article { ISI:000381165300025, title = {Studies of synergy between metal-support interfaces and selective hydrogenation of HMF to DMF in water}, journal = {Journal of Catalysis}, volume = {340}, year = {2016}, month = {AUG}, pages = {248-260}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Metal-support interfaces play a very important role in heterogeneous catalysis. The interfacial interactions not only are responsible for stabilizing the necessary oxidation state to facilitate the reaction but also enhance the stability of the catalyst system. Nano dispersion of Ni on mesoporous nitrogen-rich carbon material has been achieved using two different synthesis methods. It was observed that nickel (0) gets stabilized by strong interfacial interaction with the nitrogen atoms of the support material, and the material was found to be very economic and efficient for the conversion of HMF to DMF in aqueous medium. The material shows \>= 99\% conversion to 5-(hydroxymethyl) furfural (HMF) within 6 h of reaction with 98.7\% DMF selectivity. A unique correlation between synthesis methods and particle sizes with catalytic performance has been observed for these newly developed materials. Furthermore, a DFT calculation has been performed to predict the reaction mechanism. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {biofuels, Biomass, Hydrogenation, mesoporous carbon, Ni-CNx}, issn = {0021-9517}, doi = {10.1016/j.jcat.2016.05.012}, author = {Goyal, Reena and Sarkar, Bipul and Bag, Arijit and Siddiqui, Nazia and Dumbre, Deepa K. and Lucas, Nishita and Bhargava, Suresh Kumar and Bordoloi, Ankur} } @article { ISI:000380167200011, title = {Studies on the static and dynamic properties of different types of polyester industrial yarns}, journal = {Journal of the Textile Institute}, volume = {107}, number = {9}, year = {2016}, month = {OCT}, pages = {1175-1184}, publisher = {TAYLOR \& FRANCIS LTD}, address = {2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND}, abstract = {

Four major types of polyester industrial yarns, viz. high tenacity (HT), high modulus low shrinkage (HMLS), low shrinkage (LS) and super low shrinkage (SLS) polyester yarns, were studied for their static and dynamic properties. An attempt has been made to establish a linkage between static and dynamic properties of these yarns with its structure and with its end applications. HMLS and HT polyester yarns have lower tan delta and work loss, which are the desired characteristics required for its end applications which include tire and conveyer belt. Higher overall orientation and higher fraction of tie molecules helped to achieve these properties in HT and HMLS polyester yarns. LS and SLS polyester yarns are mostly used for static applications. Low thermal shrinkage is the key requirement for the downstream processes of these yarns. Lower amorphous orientation in these two yarns is primarily responsible for achieving very low thermal shrinkage. A good co-relation has been established between the peak temperature of work loss (in slow speed hysteresis test) and the peak temperature of tan delta (in high-speed dynamic test).

}, keywords = {creep, modulus, polyester, shrinkage, tan delta, work loss}, issn = {0040-5000}, doi = {10.1080/00405000.2015.1097087}, author = {Samui, Barun Kumar and Dasgupta, Saikat and Mukhopadhyay, R. and Ramesh, C. and Chakrabarty, Debabrata} } @article { ISI:000369537900099, title = {Sunlight assisted degradation of dye molecules and reduction of toxic Cr(VI) in aqueous medium using magnetically recoverable Fe3O4/reduced graphene oxide nanocomposite}, journal = {RSC Advances}, volume = {6}, number = {13}, year = {2016}, month = {JAN}, pages = {11049-11063}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In view of the significant impact of magnetically recoverable catalysts in photocatalytic applications, Fe3O4/reduced graphene oxide (rGO) nanocomposite photocatalyst was synthesized by adopting an eco-friendly solution chemistry approach and has been characterized by high resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and photoluminescence (PL) spectroscopy. Fe3O4/rGO nanocomposite is efficiently utilized towards photocatalytic degradation of carcinogenic and mutagenic cationic as well as anionic dye molecules namely methyl green (MG), methyl blue (MB) and rhodamine B (RhB) under direct sunlight irradiation. The Fe3O4/rGO nanocomposite also demonstrated excellent photocatalytic reduction of aqueous Cr(VI) solution to nontoxic aqueous Cr(III) solution of more than 96\% within 25 min under sunlight irradiation. Moreover, reusability of the magnetically recovered photocatalyst was studied efficiently up to 10 cycles in the degradation process. The catalyst was also characterized after the degradation of the dye molecule and the particle size of the Fe3O4 nanoparticles on the rGO sheets remained unchanged. The present investigation focuses on the importance of the use of Fe3O4/rGO nanocomposite towards photocatalytic degradation of waste water containing organic dye pollutants and toxic Cr(VI), as an easily recoverable and reusable photocatalyst with potential for many environmental remediation applications.

}, issn = {2046-2069}, doi = {10.1039/c5ra25035h}, author = {Boruah, Purna K. and Borthakur, Priyakshree and Darabdhara, Gitashree and Kamaja, Chaitanya Krishna and Karbhal, Indrapal and Shelke, Manjusha V. and Phukan, Pallabi and Saikia, Dulen and Das, Manash R.} } @article { ISI:000375810400037, title = {Supramolecular metallogel that imparts self-healing properties to other gel networks}, journal = {Chemistry of Materials}, volume = {28}, number = {9}, year = {2016}, month = {MAY}, pages = {3210-3217}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

A unique proton conductive and moldable supramolecular metallogel (CuA-Ox-gel) made upon mixing at room temperature well-defined stock solutions of Cu(OAc)(2). H2O and oxalic acid dehydrate was found to have self-healing properties. Remarkably, the system also displayed an unprecedented ability to impart self-healing properties to other gel networks lacking this capacity. A self-healed CuA-Ox metallogel was found to have essentially the same nanofibrillar morphology, thermal stability, rheological properties, and conductivity as the freshly prepared sample. The discovery also allowed the fabrication of self-healing conductive composites containing conductive carbonaceous materials. Overall, this work serves as a proof of concept for the transfer of self-healing properties between completely different gel networks.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.6b01144}, author = {Feldner, Tobias and Haering, Marleen and Saha, Subhadeep and Esquena, Jordi and Banerjee, Rahul and Diaz, David Diaz} } @article { ISI:000375270600080, title = {Surface modification of aligned CdO nanosheets and their enhanced field emission properties}, journal = {RSC Advances}, volume = {6}, number = {47}, year = {2016}, month = {APR}, pages = {41261-41267}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Porous aligned CdO nanosheets were grown on a cadmium (Cd) substrate by the simple and cost effective method of thermal annealing. Further, decoration of gold (Au) nanoparticles on the porous aligned CdO nanosheets (specimen A) was achieved by coating with a Au thin film and subsequent annealing treatment. The average diameters of decorated Au nanoparticles were found to be 15 nm, 21 nm and 28 nm for the Au thin films with 20 s, 40 s and 60 s (specimens B, C, and D) coating times. Detailed characterizations, such as structural and morphological analysis of porous CdO nanosheets and Au/CdO nanocomposite (Au decorated porous CdO nanosheets), have been carried out using a Field Emission Scanning Electron Microscope (FESEM), X-ray diffraction (XRD) and a Transmission Electron Microscope (TEM). Field emission studies of specimens A, B, C and D were carried out in the planar diode configuration. Turn-on fields of 1.9 V mu m(-1), 1.1 V mu m(-1), 2.4 V mu m(-1) and 2.8 V mu m(-1) have been found for the emission current density of 10 RA cm(-2) for specimens A, B, C and D, respectively. The observed low turn -on field of specimen B (Au diameter of 15 nm) was found to be superior to other semiconducting nanostructures reported in the literature. The field emission current stability over a period of 3 h at the preset current density of 1 RA cm(-2) is found to be excellent for all specimens. To the best of our knowledge, field emission studies along with surface modification of porous aligned CdO nanosheets have not been reported in the literature. The simple synthesis route, facile surface modification and the superior field emission results make the present emitter very suitable for micro/nano electronic devices.

}, issn = {2046-2069}, doi = {10.1039/c5ra28000a}, author = {Bagal, Vivekanand S. and Patil, Girish P. and Deore, Amol B. and Suryawanshi, Sachin R. and Late, Dattatray J. and More, Mahendra A. and Chavan, Padmakar G.} } @article {43426, title = {Switch-on NIR probe for specific detection of Hg2+ ion in aqueous medium and in mitochondria}, journal = {Inorganic Chemistry}, volume = {55}, year = {2016}, month = {NOV}, pages = {12052-12060}, abstract = {A new 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY)-based probe molecule (L) is synthesized for specific binding to Hg2+ ion in physiological condition with an associated luminescence ON response in the near-IR region of the spectrum. Appropriate functionalization in the 5-position of each of two pyrrole moieties with styryl functionality in a BODIPY core helped us in achieving the extended conjugation and a facile intramolecular charge transfer transition with a narrow energy gap for frontier orbitals. This accounted for a poor emission quantum yield for the probe molecule L. Binding to. Hg2+ helped in interrupting the facile intramolecular charge transfer (ICT) process that was initially operational for L. This resulted in a hypsochromic shift of absorption band and a turn-on luminescence response with lambda(Em)(max) of 650 nm on specific binding to Hg2+. Observed spectral changes are rationalized based on quantum chemical calculations. Interestingly, this reagent is found to be localized preferentially in the mitochondria of the live human colon cancer (Hct116) cells. Mitochondria is one of the major targets for localization of He2+, which actually decreases the mitochondrial membrane potential and modifies various proteins having sulfudryl functionality(ies) to cause cell apoptosis. Considering these, ability of the present reagent to specifically recognize Hg2+] in the mitochondrial region of the live Hct116 cells has significance.}, doi = {10.1021/acs.inorgchem.6b02233}, author = {Agarwalla, Hrideshg and Mahajan, Pankaj S. and Sahu, Debashis and Taye, Nandaraj and Ganguly, Bishwajit and Mhaske, Santosh B. and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000380574100052, title = {Synthesis and antitubercular activity of new 1,3,4-oxadiazoles bearing pyridyl and thiazolyl scaffolds}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {15}, year = {2016}, month = {AUG}, pages = {3646-3651}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In search of more potent and safe new antitubercular agents, here new 2-pyridinyl substituted thiazolyl-5-aryl-1,3,4-oxadiazoles (6a-o), have been designed and synthesized using thionicotinamide as a starting, following novel multistep synthetic route. An intermediate, pyridinyl substituted thiazolyl acid hydrazide (4) when condensed with benzoic acids/nicotinic acids (5a-o) in the presence of silica supported POCl3 yielded better to excellent yields of the title compounds. All the synthesized compounds (6a-o) and intermediate acid hydrazide (4) have been screened for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG. Amongst them, 6f, 6j, 6l and 6o have revealed promising activity against M. bovis BCG at concentrations less than 3 mu g/mL. These compounds have shown low cytotoxicity (CC50: \> 100 mu g/mL) towards four human cancer cell lines. Molecular docking study has also been performed against mycobacterial enoyl reductase (InhA) enzyme to gain an insight into the binding modes of these molecules and recorded good binding affinity. The ADME properties the title products have also been analyzed. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {1, 3, 4-Oxadiazole, Antitubercular activity, Cytotoxicity, Molecular docking, Pyridine, Thiazole}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.05.093}, author = {Dhumal, Sambhaji T. and Deshmukh, Amarsinh R. and Bhosle, Manisha R. and Khedkar, Vijay M. and Nawale, Laxman U. and Sarkar, Dhiman and Mane, Ramrao A.} } @article { ISI:000381452800005, title = {Synthesis and antitubercular activity of new benzo[b]thiophenes}, journal = {ACS Medicinal Chemistry Letters}, volume = {7}, number = {8}, year = {2016}, month = {AUG}, pages = {751-756}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In vitro and ex vivo efficacies of four series of benzo[b]thiophene-2-carboxylic acid derivatives were studied against Mycobacterium tuberculosis H37Ra (MTB). Benzo[b]thiophenes were also tested in vitro against multidrug resistant Mycobacterium tuberculosis H37Ra (MDR-MTB), and 7b was found to be highly active against A- and DMDR-MTB/MTB (MIC ranges 2.73-22.86 mu g/mL). The activity of all benzo[b]-thiophenes against M. bovis BCG (BCG) was also assessed grown under aerobic and under conditions of oxygen depletion. Compounds 8c and 8g showed significant activity with MICs of 0.60 and 0.61 mu g/mL against dormant BCG. The low cytotoxicity and high selectivity index data against human cancer cell lines, HeLa, Panc-1, and THP-1 indicate the potential importance of the development of benzo[b]thiophene-based 1,3-diketones and flavones as lead candidates to treat mycobacterial infections. Molecular docking studies into the active site of DprE1 (Decaprenylphosphoryl-beta-n-ribose-2{\textquoteright}-epimerase) enzyme revealed a similar binding mode to native ligand in the crystal structure thereby helping to understand the ligand protein interactions and establish a structural basis for inhibition of MTB. In summary, its good activity in in vitro and ex vivo model, as well as its activity against multidrug-resistant M. tuberculosis H37Ra in a potentially latent state, makes 7b an attractive drug candidate for the therapy of tuberculosis.

}, keywords = {Benzo[b]thiophene, Cytotoxicity, M. Bovis BCG, MDR-MTB, Molecular docking}, issn = {1948-5875}, doi = {10.1021/acsmedchemlett.6b00077}, author = {Mahajan, Pravin S. and Nikam, Mukesh D. and Nawale, Laxman U. and Khedkar, Vijay M. and Sarkar, Dhiman and Gill, Charansingh H.} } @article { ISI:000367329700060, title = {Synthesis and bioactivity of novel triazole incorporated benzothiazinone derivatives as antitubercular and antioxidant agent}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {2}, year = {2016}, month = {JAN}, pages = {561-569}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In search of new active molecules against Mycobacterium tuberculosis (MTB) H37Ra and M. bovis BCG, a small focused library of benzothiazinone based 1,2,3-triazoles has been efficiently prepared via click chemistry approach. Several derivatives were found to be promising inhibitors of MTB and M. bovis BCG characterized by lower MIC values (27.34-29.37 mu g/mL). Among all the synthesized compounds, 6c and 6e is the most active compound against MTB and M. bovis BCG. The compounds were further tested for anti-proliferative activity against HeLa, A549 and A431 cell lines using MTT assay and showed no significant cytotoxic activity at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antioxidant activity with IC50 range = 14.14-47.11 mu g/mL. Furthermore, to rationalize the observed biological activity data, the molecular docking study also been carried out against a potential target MTB DprE1, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of the in vitro and in silico study suggest that the triazole incorporated benzothiazinone may possess the ideal structural requirements for further development of novel therapeutic agents. (C) 2015 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2, 3-Triazole, ADME prediction, Antioxidant, Antitubercular, Docking study}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2015.11.071}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Arkile, Manisha A. and Khedkar, Vijay M. and Jadhav, Nandadeep J. and Sarkar, Dhiman and Shingate, Bapurao B.} } @article { ISI:000374588500013, title = {Synthesis and characterization of nanoporous silica SBA-15 diaminocyclohexane and its application in removal of Cu(II) and Ni(II) from aqueous solution}, journal = {Desalination and Water Treatment}, volume = {57}, number = {33}, year = {2016}, month = {JUL}, pages = {15397-15409}, publisher = {TAYLOR \& FRANCIS INC}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

A new nanoporous 1,2-diaminocyclohexane-functionalized SBA-15 (Dach@SBA-15) silica sorbent was prepared. The structure and physicochemical properties of the material were characterized by elemental analysis, X-ray diffraction, transmission electron microscopy (TEM), scanning electron microscopy, FT-IR spectroscopy, nitrogen adsorption-desorption isotherms and thermogravimetric analysis. TEM image clearly showed the sheet-like structure of Dach@SBA-15. The organic functional groups were successfully grafted onto the SBA-15 surface and the ordering of the support was not affected by the chemical modification. The Dach@SBA-15was used as a sorbent for removal of Cu(II) and Ni(II) from aqueous solution. Experimental parameters like effect of pH, contact time and metal ion concentration were studied and optimized. The adsorption isotherm data fitted well to Langmuir isotherm model and the monolayer adsorption capacity values for Cu(II) was 90.09 and for Ni (II) was 84.03 mg/g at 303 K. The experimental kinetic data fitted very well to the pseudosecond- order model. The Dach@SBA-15 could be used as a sorbent for removal of Cu(II) and Ni(II) from aqueous medium.

}, keywords = {Adsorption, BET, FAAS, FT-IR, Heavy metals, Nanoporous silica}, issn = {1944-3994}, doi = {10.1080/19443994.2015.1072741}, author = {Sreenu, Bhogineni and Sharma, Priti and Seshaiah, Kalluru and Singh, A. P.} } @article {45828, title = {Synthesis and characterization of novel polymer-hybrid silver nanoparticles and its biomedical study}, journal = {Materials Today: Proceedings}, volume = {3}, year = {2016}, month = {JUN}, pages = {1949-1957}, type = {Article}, abstract = {

Hybrid polymer metal nanoparticles have advantages over conventional metal nanoparticles with respect to their stability, chemical resistance, antibacterial activity and drug delivery properties. In the current work, we have synthesized novel stimuli-responsive polymer hybrid silver nanoparticles using green synthesis method, where the plant extract is used as a reducing agent in the synthesis. Encapsulating metal nanoparticles with stimuli-responsive soft-polymeric system is novel and provides additional versatility whose functions and properties can be tailored by controlling any of the stimuli such as pH, temperature, ionic strength with respect to their antibacterial activity and physiological condition. Moreover, green synthesis methods have advantages over conventional methods involving chemical reducing agents that are often associated with environmental toxicity because of their enhanced antibacterial and other biological effects. The synthesized hybrid particles were characterized using Dynamic light scattering, UV-Visible spectroscopy and Small angle x-ray scattering. Further, we have investigated the antibacterial and cytotoxicity effect of these hybrid particles against different bacterial cells ( Salmonella) and mammalian cell lines (HCT116) respectively. These results are discussed in the light of previous studied work and these results suggest that our synthesized polymer hybrid nanoparticles are more antibacterial and less cytotoxic than the usual silver nanoparticles. (C) 2015Elsevier Ltd.All rights reserved.

}, keywords = {Antibacterial effect, Cytotoxicity, Polymeric hybrid particless, silver nanoparticles}, doi = {10.1016/j.matpr.2016.04.096}, author = {Verma, Suresh Kumar and Jha, Ealisha and Kiran, K. J. and Bhat, Suresh and Suar, Mrutyunjay and Mohanty, P. S.} } @article {43612, title = {Synthesis and characterization of simple cost-effective trans-A(2)BC porphyrins with various donor groups for dye-sensitized solar cells}, journal = {New Journal of Chemistry}, volume = {40}, year = {2016}, month = {JUL}, pages = {5704-5713}, abstract = {We have designed and synthesized a series of simple cost-effective {\textquoteright}push-pull{\textquoteright} Zn(II) porphyrin dyes containing various electron donors such as 2-thienyl, pyrenyl, phenyl, 4{\textquoteright}-bromophenyl, 4{\textquoteright}-tbutylphenyl and 4{\textquoteright}-carboxyphenyl acceptor moieties in three steps. Their optical absorption spectra, electrochemical redox and photovoltaic properties have been investigated in detail. The overall power conversion efficiencies (Z) of DSSCs based on these dyes are in the range of 2.1 to 4.2\% and highly depend on their donor moiety. The incorporation of trans-10,20-dimesityl groups is highly beneficial for preventing the p-p aggregation among the porphyrin moieties, thus favorably suppressing the charge recombination and intermolecular interaction. Among all, pyrenyl appended Zn(II) porphyrin has exhibited a higher power conversion efficiency of 4.2\% under 1 sun illumination due to the extended p-conjugation and electron donating ability of the pyrenyl moiety.}, doi = {10.1039/c5nj02610e}, author = {Kumar, Ravi and Sankar, Muniappan and Sudhakar, Vediappan and Krishnamoorthy, Kothandam} } @article { ISI:000367915800019, title = {Synthesis and characterization of well-defined random and block copolymers of epsilon-caprolactone with l-lactide as an additive for toughening polylactide: Influence of the molecular architecture}, journal = {Journal of Applied Polymer Science}, volume = {133}, number = {14}, year = {2016}, month = {APR}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Well-defined multiarmed star random and block copolymers of epsilon-caprolactone with l-lactide with controlled molecular weights, low polydispersities, and precise numbers of arms were synthesized by the ring-opening polymerization of respective cyclic ester monomers. The polymers were characterized by H-1-NMR and C-13-NMR to determine their chemical composition, molecular structure, degree of randomness, and proof of block copolymer formation. Gel permeation chromatography was used to establish the degree of branching. Star-branched random copolymers exhibited lower glass-transition temperatures (T-g{\textquoteright}s) compared to a linear random copolymer. When the star random copolymers were melt-blended with poly(l-lactic acid) (PLA), we observed that the elongation of the blend increased with the number of arms of the copolymer. Six-armed block copolymers, which exhibited higher T-g{\textquoteright}s, caused the maximum improvement in elongation. In all cases, improvements in the elongation were achieved with no loss of stiffness in the PLA blends. (c) 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43267.

}, keywords = {biodegradable, copolymers, differential scanning calorimetry, mechanical properties, ring-opening polymerization}, issn = {0021-8995}, doi = {10.1002/app.43267}, author = {Deokar, Megha D. and Idage, Susheela B. and Idage, Bhaskar B. and Sivaram, Swaminathan} } @article { ISI:000373739700025, title = {Synthesis and docking studies of pyrazine-thiazolidinone hybrid scaffold targeting dormant tuberculosis}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {9}, year = {2016}, month = {MAY}, pages = {2224-2228}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The persistence of Mycobacterium tuberculosis (MTB) in dormant stage assists the pathogen to develop resistance against current antimycobactrial drugs. To address this issue, we report herein the synthesis of N-(4-oxo-2 substituted thiazolidin-3yl) pyrazine-2-carbohydrazide derivatives designed by following the molecular hybridization approach using pyrazine and thiazolidenone scaffolds. The compounds were evaluated against MTB H37Ra and Mycobacterium bovis BCG in dormancy model. Most of the compounds had IC50 values in 0.3-1 mu g/ml range. The active compounds were further tested for anti-proliferative activity against THP-1, Panc-1, A549, and MCF-7 cell lines using MTT assay and exhibited no significant cytotoxicity. We also report molecular docking studies using active analogs and MTB Decaprenylphosphoryl-beta-D-ribose-2{\textquoteright}-epimerase (DprE1) to rationalize the biological activity and to provide an insight into the probable mechanism of action and binding mode of hybridized structures. The results obtained validate the use of molecular hybridization approach and also suggest that reported compounds can provide a novel pharmacophore to synthesize lead compounds against dormat MTB. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {docking, Dormant, Hybrid design, Pyrazine, Thiazolidenone, tuberculosis}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.03.055}, author = {Chitre, T. S. and Asgaonkar, K. D. and Miniyar, P. B. and Dharme, A. B. and Arkile, Manisha A. and Yeware, A. and Sarkar, Dhiman and Khedkar, Vijay M. and Jha, Prakash C.} } @article { ISI:000370693900022, title = {Synthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents (vol 6, pg 2209, 2015)}, journal = {Medchemcomm}, volume = {7}, number = {2}, year = {2016}, month = {DEC}, pages = {379}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, issn = {2040-2503}, doi = {10.1039/c5md90062j}, author = {Borate, Hanumant B. and Annadate, Ritesh A. and Vagh, Sandip S. and Pisal, Mahesh M. and Deokate, Sagar B. and Arkile, Manisha A. and Jadhav, Nandadeep J. and Nawale, Laxman U. and Sarkar, Dhiman} } @article { ISI:000373492800012, title = {Synthesis and properties of poly(arylene ether)s based on 3-pentadecyl 4,4{\textquoteright}-biphenol}, journal = {Polymer International}, volume = {65}, number = {5}, year = {2016}, month = {MAY}, pages = {567-576}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A new biphenol, 3-pentadecyl 4,4-biphenol, was synthesized starting from 3-pentadecylphenol and was polycondensed with 4,4-difluorobenzophenone, 1,3-bis(4-fluorobenzoyl)benzene and bis(4-fluorophenyl)sulfone to obtain poly(arylene ether)s with biphenylene linkages in the backbone and pendent pentadecyl chains. Inherent viscosities and number-average molecular weights (M-n) of the poly(arylene ether)s were in the range 0.50 - 0.81 dL g(-1) and 2.2 x 10(4) - 8.3 x 10(4), respectively. Detailed NMR spectroscopic studies of the poly(arylene ether)s indicated the presence of constitutional isomerism which existed because of the non-symmetrical structure of 3-pentadecyl 4,4-biphenol. The poly(arylene ether)s readily dissolved in common organic solvents such as dichloromethane, chloroform and tetrahydrofuran and could be cast into tough, transparent and flexible films from their chloroform solutions. The poly(arylene ether)s exhibited T-g values in the range 35-60 degrees C which are lower than that of reference poly(arylene ether)s without pentadecyl chains. The 10\% decomposition temperatures (T-10) of the poly(arylene ether)s were in the range 410-455 degrees C indicating their good thermal stability. A gas permeation study of poly(ether sulfone) containing pendent pentadecyl chains revealed a moderate increase in permeability for helium, hydrogen and oxygen. However, there was a large increase in permeability for carbon dioxide which could be attributed to the internal plasticization effect of pendent pentadecyl chains. (c) 2016 Society of Chemical Industry

}, keywords = {cashew nut shell liquid (CNSL), gas permeation study, pentadecyl, poly(arylene ether)s, thermal stability}, issn = {0959-8103}, doi = {10.1002/pi.5095}, author = {Tawade, Bhausaheb V. and Shaligram, Sayali V. and Valsange, Nitin G. and Kharul, Ulhas K. and Wadgaonkar, Prakash P.} } @article {43621, title = {Synthesis and study of calixarene-doped polypyrrole-TiO2/ZnO composites: antimicrobial activity and electrochemical sensors}, journal = {Journal of Polymer Research}, volume = {23}, year = {2016}, month = {JAN}, abstract = {The present communication describes the synthesis of an electroactive nanocomposite of calixarene- doped polypyrrole ( PPY) containing an oxide of Ti/ Zn. The additive TiO2/ ZnO serves as an oxidizing agent for the polymerization, thus avoiding the use of hazardous organic solvents while calixarene doping stabilizes the polymer. The materials synthesized herein were characterized by UV- visible spectroscopy, FT- IR spectroscopy, scanning electron microscopy ( SEM), transmission electron microscopy ( TEM), energy- dispersive X- ray spectroscopy ( EDX), X- ray photoelectron spectroscopy ( XPS), and cyclic voltammetry ( CV) of synthesized nanocomposites. It was revealed that the resulting calixarene- doped polypyrrole- TiO2/ ZnO nanocomposite has ( 1) long- time stability, ( 2) significant electrochemical activity for sensing formaldehyde, and ( 3) good antimicrobial activity.}, doi = {10.1007/s10965-016-0921-9}, author = {Waghmode, Babasaheb J. and Husain, Zahid and Joshi, Meenal and Sathaye, Shivaram D. and Patil, Kashinath R. and Malkhede, Dipalee D.} } @article { ISI:000368533200012, title = {Synthesis and tyrosinase inhibition activity of trans-stilbene derivatives}, journal = {Bioorganic Chemistry}, volume = {64}, year = {2016}, month = {FEB}, pages = {97-102}, publisher = {ACADEMIC PRESS INC ELSEVIER SCIENCE}, address = {525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA}, abstract = {

Synthesis of a focussed library of trans-stilbene compounds through Wittig and other base catalysed condensation reactions is presented. The synthesized stilbenes were screened for their inhibitory potential against murine tyrosinase activity to explore the structure activity relationship (SAR). Presence of electron withdrawing group (-CN) at the double bond and hydroxyl group or halogen atom especially at para-position on the aromatic rings was found to significantly elevate the inhibitory activity. Among all the compounds screened, compounds 2, 6, 8, 10, 11, 15 and 21 were found to exhibit appreciable inhibitory activity. Compound 21 ((E)-2,3-bis(4-Hydroxyphenyl) acryonitrile) was found to be the most active with an IC50 value of 5.06 mu M which is less than half of the value 10.78 mu M observed for resveratrol (common standard used in murine tyrosinase activity studies) under similar conditions. The results obtained from the present study reveal structural/functional group sensitivity for the tyrosinase inhibitory activity of stilbenoid moieties and are expected to be very helpful for the design and synthesis of novel, selective and effective tyrosinase inhibitors. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {Electron withdrawing groups, Murine tyrosinase activity, Resveratrol, Stilbenoids, Tyrosinase inhibitors, Wittig reaction}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2016.01.001}, author = {Ismail, Tabasum and Shafi, Syed and Srinivas, Jada and Sarkar, Dhiman and Qurishi, Yasrib and Khazir, Jabeena and Alam, Mohammad Sarwar and Kumar, Halmuthur Mahabalarao Sampath} } @article { ISI:000371304100018, title = {Synthesis, biological evaluation and molecular docking of novel coumarin incorporated triazoles as antitubercular, antioxidant and antimicrobial agents}, journal = {Medicinal Chemistry Research}, volume = {25}, number = {4}, year = {2016}, month = {APR}, pages = {790-804}, publisher = {SPRINGER BIRKHAUSER}, address = {233 SPRING STREET, 6TH FLOOR, NEW YORK, NY 10013 USA}, abstract = {

A series of new coumarin-based 1,2,3-triazole derivatives were designed, synthesized and evaluated for their antitubercular activity in vitro against Mycobacterium tuberculosis H37Ra, antioxidant activity by DPPH radical scavenging assay, antimicrobial activity in vitro against three gram-positive bacteria (Staphylococcus aureus, Micrococcus luteus and Bacillus cereus) and three gram-negative bacteria (Escherichia coli, Pseudomonas fluorescens and Flavobacterium devorans as well as three fungi (Aspergillus niger, Penicillium chrysogenum and Curvularia lunata). The bioactive assay showed that some synthesized coumarin triazoles displayed comparable or even better antitubercular, antioxidant, antibacterial and antifungal efficacy in comparison with reference drugs. Furthermore, docking study has been performed against DprE1 enzyme of M. tuberculosis that showed good binding interactions. Moreover, the synthesized compounds were also analyzed for ADME properties and showed potential to build up as good oral drug candidates. New coumarin-based 1,2,3-triazole derivatives were designed, synthesized and evaluated for their antitubercular, antioxidant, antibacterial and antifungal activity. Some of the coumarin-based triazole derivatives displayed comparable or even better efficacy in comparison with reference drugs. Molecular docking study has been performed against DprE1 enzyme of Mycobacterium tuberculosis showed good binding interactions. [GRAPHICS] .

}, keywords = {1, 2, 3-Triazole, ADME prediction, Antimicrobial, Antioxidant, Antitubercular, Click chemistry, Docking study}, issn = {1054-2523}, doi = {10.1007/s00044-016-1519-9}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Shingate, Bapurao B. and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Khedkar, Vijay M. and Nawale, Laxman and Sarkar, Dhiman and Navale, Govinda R. and Shinde, Sandip S.} } @article { ISI:000372031300074, title = {Synthesis, biological evaluation and molecular docking studies of N-acylheteroaryl hydrazone derivatives as antioxidant and anti-inflammatory agents}, journal = {Research on Chemical Intermediates}, volume = {42}, number = {3}, year = {2016}, month = {MAR}, pages = {2707-2729}, publisher = {SPRINGER}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

In search of new therapeutics with greater potency, three new series of 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carbohydrazide derivatives have been synthesized and evaluated for their in vitro antioxidant and anti-inflammatory activities. The hydrazones bearing a core pyrazole, chromone and tetrazolo[1,5-a]quinoline scaffold showed promising activities. Interestingly, compounds 3a (EC50 = 06.00 +/- A 2.36) and 5c (EC50 = 07.21 +/- A 0.67) showed the most potent antioxidant activity, while compounds 3a (EC50 = 10.25 +/- A 1.08), 7b (EC50 = 10.50 +/- A 0.99) and 7c (EC50 = 11.18 +/- A 0.15) showed significant anti-inflammatory activity. Furthermore, molecular docking studies also revealed a significant correlation between the binding score and biological activity for these compounds to describe the molecular basis for the structure activity relationship (SAR) results. As these compounds are good cyclooxygenase inhibitors, isoenzyme inhibitory potency studies are warranted.

}, keywords = {Anti-inflammatory, Antioxidant, Docking study, N-Acylhydrazones, Structure-activity relationship}, issn = {0922-6168}, doi = {10.1007/s11164-015-2176-1}, author = {Mahajan, Pravin S. and Nikam, Mukesh D. and Khedkar, Vijay M. and Jha, Prakash C. and Sarkar, Dhiman and Gill, Charansingh H.} } @article { ISI:000371344600027, title = {Synthesis, biological evaluation and molecular docking study of some novel indole and pyridine based 1,3,4-oxadiazole derivatives as potential antitubercular agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {26}, number = {7}, year = {2016}, month = {APR }, pages = {1776-1783}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A series of indole and pyridine based 1,3,4-oxadiazole derivatives 5a-t were synthesized and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG both in active and dormant state. Compounds 5b, 5e, 5g and 5q exhibited very good antitubercular activity. All the newly synthesized compounds 5a-t were further evaluated for antiproliferative activity against HeLa, A549 and PANC-1 cell lines using modified MTT assay and found to be noncytotoxic. On the basis of cytotoxicity and MIC values against Mycobacterium bovis BCG, selectivity index (SI) of most active compounds 5b, 5e, 5g and 5q was calculated (SI = GI(50)/MIC) in active and dormant state. Compounds 5b, 5e and 5g demonstrated SI values \>= 10 against all three cell lines and were found to safe for advance screening. Compounds 5a-t were further screened for their antibacterial activity against four bacteria strains to assess their selectivity towards MTB. In addition, the molecular docking studies revealed the binding modes of these compounds in active site of enoyl reductase (InhA), which in turn helped to establish a structural basis of inhibition of mycobacteria. The potency, low cytotoxicity and selectivity of these compounds make them valid lead compounds for further optimization. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {1, 3, 4-Oxadiazole, Antitubercular activity, Cytotoxicity, Indole, Molecular docking, Pyridine}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2016.02.043}, author = {Desai, N. C. and Somani, Hardik and Trivedi, Amit and Bhatt, Kandarp and Nawale, Laxman and Khedkar, Vijay M. and Jha, Prakash C. and Sarkar, Dhiman} } @article { ISI:000373619000021, title = {Synthesis, microstructure, optical and field emission studies of iron vanadium oxide nanosheets}, journal = {Journal of Physics D-Applied Physics}, volume = {49}, number = {14}, year = {2016}, month = {APR}, pages = {145301}, publisher = {IOP PUBLISHING LTD}, address = {TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND}, abstract = {

We report a single step growth of thin graphene-like, densely packed FeV3O8 (FVO) nanosheets on silicon substrates via facile hydrothermal synthesis. These nanosheets have dimensions of a few microns with thin edges, offering very high aspect ratio. These FVO nanosheets exhibit excellent field emission behaviour with low turn on and threshold voltages of 1.3 V mu m(-1) and 1.7 V mu m(-1), respectively. The corresponding emitter delivers high emission current density of (similar to 1.650 mA cm(-2)) at fairly low applied field (similar to 4.00 V mu m(-1)).

}, keywords = {FeV3O8, field emission, nanosheets}, issn = {0022-3727}, doi = {10.1088/0022-3727/49/14/145301}, author = {Badadhe, Satish S. and Suryawanshi, Sachin R. and Naphade, Rounak A. and Chaudhary, Minakshi V. and More, Mahendra A. and Shelke, Manjusha V. and Ogale, Satishchandra B.} } @article {45830, title = {Synthesis of Au@Ni bimetallic core shell nanoparticle and nanochains in soyabean oil and their catalytic hydrogenation reactions}, journal = {ChemistrySelect}, volume = {1}, year = {2016}, month = {FEB}, pages = {140-146}, type = {Article}, abstract = {

Synthesis of Au@Ni bimetallic core shell nanostructures using commercially available soya bean oil as the solvent through a sequential reduction strategy is reported. The energy efficiency and economic viability comes from the much milder temperatures and replacement of expensive and environmentally hazardous solvents like long chain organic amines and acids previously reported for synthesis. Thus, core shell nanoparticles having size regime of 10-15 nm with an excellent control over the nickel shell thickness (2 nm) over the gold core (8-10 nm) and Au@Ni nanochains is achieved. The synthesized materials are demonstrated to synergistically catalyze hydrogenation of nitro and C-C multiple bonds with much better efficiency as compared to individual nanoparticle counterparts.

}, keywords = {Bimetallic nanoparticles, Gold catalysis, hydrogenation reactions, synergistic effects}, issn = {2365-6549}, doi = {10.1002/slct.201500006}, author = {Bharathan, Vysakh A. and Yadukiran, V. and Lazar, Anish and Singh, Anand. P. and Vinod, Chathakudath P.} } @article { ISI:000373440600012, title = {Synthesis of new hybrid sorbent 2-mercaptobenzaldehyde SBA-15 and its application in solid phase extraction of Cd(II) from water and food samples}, journal = {Analytical Methods}, volume = {8}, number = {14}, year = {2016}, month = {MAR}, pages = {2947-2954}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In this paper, a new mesoporous hybrid material was fabricated by anchoring 2-mercaptobenzaldehyde (2MB) onto the surface of SBA-15. The adsorbent (2MB-SBA-15) was characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), nitrogen adsorption-desorption isotherm measurements and thermogravimetric analysis (TGA) and applied as a sorbent in the preconcentration of Cd(II) in water samples and food samples. The effect of various analytical parameters such as pH, dose of sorbent, amount of eluent, sample flow rate and interfering ions was investigated. The preconcentration capacity of the prepared material under optimized conditions for Cd(II) was 0.94 +/- 0.01 mmol g(-1). The Cd collected onto the sorbent was eluted out with 10 mL of 1 M HNO3 and determined by AAS. The LOD, LOQ and preconcentration factor of the present method were found to be 6.93 x 10(-6), 1.21 x 10(-5) mM and 100, respectively. The relative standard deviation for four preconcentration experiments was found to be \<= 5\%.

}, issn = {1759-9660}, doi = {10.1039/c5ay03031e}, author = {Sreenu, B. and Imran, K. and Seshaiah, K. and Sharma, Priti and Singh, A. P.} } @article {43628, title = {Synthesis of Ni-doped ZnO nanostructures by low-temperature wet chemical method and their enhanced field emission properties}, journal = {RSC Advances}, volume = {6}, year = {2016}, month = {OCT}, pages = {104318-104324}, abstract = {In this study, we report an enhancement in the field emission (FE) properties of ZnO nanostructures obtained by doping with Ni at a base pressure of similar to 1 x 10(-8) mbar, which were grown by a simple wet chemical process. The ZnO nanostructures exhibited a single-crystalline wurtzite structure up to a Ni doping level of 10\%. FESEM showed a change in the morphology of the nanostructures from thick nanoneedles to nanoflakes via thin nanorods with an increase in the Ni doping level in ZnO. The turn-on field required to generate a field emission (FE) current density of 1 mu A cm(-2) was found to be 2.5, 2.3, 1.8 and 1.7 V mu mcm(-2) for ZnO (Ni0\%), ZnO (Ni5\%), ZnO (Ni7.5\%) and ZnO (Ni10\%), respectively. A maximum current density of similar to 872 mu A cm(-2) was achievable, which was generated at an applied field of 3.1 V mu m cm(-2) for a Ni doping level of 10\% in ZnO. Long-term operational current stability was recorded at a preset value of 5 mA for a duration of 3 h and was found to be very high. The experimental results indicate that Ni-doped ZnO-based field emitters can open up many opportunities for their potential use as an electron source in flat panel displays, transmission electron microscopy, and the generation of X-rays. Thus, the simple low-temperature (similar to 80 degrees C) wet chemical synthesis approach and the robust nature of the ZnO nanostructure field emitter can provide prospects for the future development of cost-effective electron sources.}, doi = {10.1039/c6ra21190a}, author = {Rana, Amit Kumar and Bankar, Prashant and Kumar, Yogendra and More, Mahendra A. and Late, Dattatray J. and Shirage, Parasharam M.} } @article { ISI:000374810700032, title = {Synthesis of novel Cu2S nanohusks as high performance counter electrode for CdS/CdSe sensitized solar cell}, journal = {Journal of Power Sources}, volume = {315}, year = {2016}, month = {MAY}, pages = {277-283}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

An important component of quantum dot sensitized solar cells (QDSSC) is the counter electrode which mediates the regeneration of oxidized quantum dots by reducing the polysulphide electrolyte. However, design and synthesis of an efficient counter electrode material is a challenging task. Herein, we report the synthesis of a unique Cu2S nanohusks directly on FTO coated glass substrates by electrodeposition and used as a counter electrode in QDSSC. When these electrodes are used for the reduction of polysulfide electrolyte in QDSSC, they exhibit higher catalytic activity and photovoltaic performance as compared to the Platinum counter electrode. The power conversion efficiency of about 4.68\% has been achieved by optimizing the deposition time of Cu2S. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {counter electrode, Cu2S electrodeposition, Cu2S nanohusks, Quantum dot-sensitized solar cell}, issn = {0378-7753}, doi = {10.1016/j.jpowsour.2016.03.027}, author = {Kamaja, Chaitanya Krishna and Devarapalli, Rami Reddy and Dave, Yasha and Debgupta, Joyashish and Shelke, Manjusha V.} } @article {43372, title = {Synthesis of ophiocerins A, B and C, botryolide E, decarestrictine O, stagonolide C and 9-epi-stagonolide C employing chiral hexane-1,2,3,5-tetraol derivatives as building blocks}, journal = {European Journal of Organic Chemistry}, volume = {27}, year = {2016}, month = {SEP}, pages = {4696-4710}, abstract = {An organocatalytic approach to the synthesis of (2R,3S)-hexane-1,2,3,5-tetraol (11) derivatives (in the forms of different stereoisomers and bearing different protecting groups) has been developed. The key chiral intermediates 11 were prepared with complete stereocontrol through the proline-catalyzed intermolecular aldol reaction between acetone and d-glyceraldehyde acetonide. The synthetic utility of the intermediates was demonstrated by their transformation into the title hydroxylated pyrans and a variety of unsaturated lactones through standard synthetic protocols.}, doi = {10.1002/ejoc.201600625}, author = {Show, Krishanu and Kumar, Pradeep} } @article { ISI:000380018700009, title = {Synthesis of renewable copolyacetals with tunable degradation}, journal = {Macromolecular Chemistry and Physics}, volume = {217}, number = {12}, year = {2016}, month = {JUN}, pages = {1396-1410}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Acetal metathesis copolymerization (AMCP) of renewable isohexide diacetals and aliphatic long-chain diacetals is reported and access to a small family of copolyacetals has been established. Crucial 1-2D NMR and MALDI-ToF-MS findings unambiguously confirm the existence of a copolymeric structure. In a stark contrast to the earlier reported isohexide-polyacetals, the current copolyacetals reveal very slow degradation. Hydrolytic degradation of copolyacetal pellets is extremely slow at pH 7, whereas only 30\% degradation over a period of 15 d is observed in 9 M hydrochloric acid solution. GPC investigations reveal that with increasing chain-length the rate of degradation reduces, whereas copolyacetals with short-chain aliphatic segments display a faster degradation profile. The reduced rate of degradation can be attributed to the hydrophobic nature of long-chain acetal segments. In situ NMR spectroscopy reveals the existence of formates, hemiacetals, and diols as degradation products. Thus, the rate of degradation can be tuned by the judicious choice of isohexide-diacetal and linear-diacetals in a copolyacetal.

}, keywords = {copolyacetals, degradable polymers, diacetals, isohexides, renewable polymers}, issn = {1022-1352}, doi = {10.1002/macp.201600071}, author = {Rajput, Bhausaheb S. and Chander, Umesh and Arole, Kailash and Stempfle, Florian and Menon, Shamal K. and Mecking, Stefan and Chikkali, Samir H.} } @inbook {43050, title = {Synthesis of silicon(II) compounds and their reactions}, booktitle = {Efficient methods for preparing silicon compounds}, year = {2016}, pages = {233-242}, publisher = {Academic Press, Elsevier}, organization = {Academic Press, Elsevier}, chapter = {18}, address = {Netherland}, author = {Sen, Sakya S. and Roesky, Herbert W.} } @article { ISI:000372156200013, title = {Synthesis of Sn-containing anatase (TiO2) by sol-gel method and their performance in catalytic water splitting under visible light as a function of tin content}, journal = {Materials Letters}, volume = {171}, year = {2016}, month = {MAY}, pages = {50-54}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Sol-gel route was employed to prepare a series of Sn-containing anatase with different molar (Ti/Sn) ratios ranging from 49 to 1. Samples were characterized by powder XRD, UV-vis, XPS, SEM, EDAX, low temperature N-2 sorption technique and Raman Spectroscopy. Except anatase phase, no other crystalline phase was observed when Ti/Sn molar ratio was varied from 49 to 9 and for Sn free sample. However, further decrease in the ratio lead to the appearance of additional SnO2 phase whose peak intensities were increased with the increase in the tin content. Irrespective of tin content, all samples showed red-shift in UV-vis spectra. Moreover, samples showed Raman shift to higher vibration side from 143 cm(-1) to 147 cm(-1) indicating the doping of Sn2+ into TiO2. By virtue of low band gap, anatase crystallite size and an absence of XRD visible SnO2, ST (19) has shown maximum photocatalytic activity upon 1 wt\% Pt loading. It has exhibited the highest rate (0.1264 mmole/g/h) for visible light induced hydrogen evolution by water splitting. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Semiconductors, Sn2+ doped titania, SnO2/TiO2, Sol-gel preparation, visible light, water splitting}, issn = {0167-577X}, doi = {10.1016/j.matlet.2016.02.055}, author = {Tangale, N. P. and Niphadkar, P. S. and Samuel, V. and Deshpande, Suvarna S. and Joshi, P. N. and Awate, S. V.} } @article {43435, title = {Synthesis of (+/-)-thia-calanolide A, its resolution and in vitro biological evaluation}, journal = {Arabian Journal of Chemistry}, volume = {9}, year = {2016}, month = {NOV}, pages = {S1597-S1602}, abstract = {A synthesis of (+/-)-thia-calanolide A 3 has been successfully accomplished starting from 3,5-dimethoxythiophenol 4, in six steps in an overall yield of 4.5\%. The key reaction involved Friedel-Crafts tigloylation of 5,7-dihydroxy-4-n-propyl thiocoumarin 6 employing an appropriate solvent of CS2-PhNO2 in a ratio of 7:3. In its biological evaluation for anti-HIV activity, (+/-)-thia-calanolide A 3 demonstrated comparatively less activity with calanolide A and its synthetic analogue aza-calanolide. Further, (+/-)-3 has been resolved by chiral HPLC to (+) and (-)-3. (C) 2012 Production and hosting by Elsevier B.V. on behalf of King Saud University.}, doi = {10.1016/j.arabjc.2012.04.027}, author = {Chopade, Anil U. and Chopade, Manojkumar U. and Chanda, Bhanu M. and Sawaikar, Dilip D. and Sonawane, Kiran B. and Gurjar, Mukund K.} } @article { ISI:000380968200060, title = {Syringic acid: structural elucidation and co-crystallization}, journal = {Crystal Growth \& Design}, volume = {16}, number = {8}, year = {2016}, month = {AUG}, pages = {4679-4687}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Syringic acid (SYRA) is a potential antioxidant used in traditional Chinese medicine and is an emerging nutraceutical. Current reports claim its potential anti-angiogenic, anti-glycating, anti-hyperglycaemic, neuroprotective, and memory-enhancing properties in various animal models. To date, SYRA crystal structure has not been elucidated, and no crystal engineering studies have been reported. This study reports the crystal structure of SYRA for the first time along with its nicotinamide (SNCT-E) and urea (SU-EA-M) co-crystals. All forms were successfully characterized using single crystal X-ray diffraction (XRD), powder XRD, and differential scanning calorimetry. Single crystal analysis revealed that SYRA crystallized in the C2/c space group, whereas SNCT-E (2:1) and SU-EA-M (1:2) crystallized in the P21/n and Cmca space group, respectively. Novel co-crystals have shown improved solubility, modified dissolution profiles, and improved flow and compressibility. Cytotoxic effects were explored in DU145 prostate cancer cell lines for the first time, and significant enhancement in cytotoxicity by the co-crystals was observed compared to plain components. A two-fold increase in \% cytotoxicity of SNCT-E was observed when compared to the corresponding physical mixture. These studies shed light on potential utility of SYRA as a coformer for various pharmaceutical applications to design synergistic and organ-protective co-crystals.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.6b00750}, author = {Thipparaboina, Rajesh and Mittapalli, Sudhir and Thatikonda, Sowjanya and Nangia, Ashwini and Naidu, V. G. M. and Shastri, Nalini R.} } @article {43406, title = {Systematic evaluation of biophysical and functional characteristics of selenomethylene-locked nucleic acid-mediated inhibition of miR-21}, journal = {Biochemistry}, volume = {55}, year = {2016}, month = {DEC}, pages = {7023-7032}, abstract = {miRNAs constitute an important layer of gene regulation mediated by sequence-specific targeting of mRNAs. Aberrant expression of miRNAs contributes to a host of pathological states. Promoting cancer, miR-21 is upregulated in variety of cancers and promotes tumor progresion by suppressing a network of tumor suppressor genes. Here we describe a novel class of bicyclic RNA analogues, selenomethylene-locked nucleic acid (SeLNA), that display high affinity, improved metabolic stability, and increased potency for miR-21 inhibition. The thermal stability (T-m) for duplexes was increased significantly with incorporation of SeLNA monomers as compared to that of the unmodified DNA RNA hybrid. A comprehensive thermodynamic profile obtained by isothermal titration calorimetry revealed a favorable increase in the enthalpy of hybridization for SeLNA containing DNA and target RNA heteroduplexes. SeLNA modifications displayed remarkable binding affinity for miR-21 target RNA with a K-a of <= 1.05 x 10(8) M-1. We also observed enhanced serum stability for SeLNA RNA duplexes with a half-life of <= 36 h. These in vitro results were well correlated with the antisense activity in cancer cells imparting up to similar to 91\% inhibition of miR-21. The functional impact of SeLNA modifications on miR-21 inhibition was further gauged by investigating the migration and invasion characterisitics of cancer cells, which were drastically reduced to similar to 49 and similar to 55\%, respectively, with SeLNA having four such modifications. Our findings demonstrate SeLNA as a promising candidate for therapeutics for disease associated miRNAs.}, doi = {10.1021/acs.biochem.6b00895}, author = {Nahar, Smita and Singh, Amrita and Morihiro, Kunihiko and Moai, Yoshihiro and Kodama, Tetsuya and Obika, Satoshi and Maiti, Souvik} } @book {43012, title = {Taxonomy of mycotoxigenic fungi}, year = {2016}, publisher = {Scientific Publisher}, organization = {Scientific Publisher}, abstract = {

Mycotoxins, toxic metabolites of molds elaborated during their colonization of foods and feeds, pose a threat to human and animal life. Molds are the diverse group of fungi, which grow in compatatively dry and warm environments, produce copious amount of spores and promote the elaboration of these mycotoxins. Mycotoxigenic fungi, which are unique their sporulating apparatus and exhibit wide variation in their morphology, poses a challenge in their identification. There are numerous examples of their misidentification leading to wrong conclusions. Precise information on taxonomy of these fungi is lacking. Therefore, this book fulfills the need of providing comprehensive information and keys helpful for the accurate identification of these moulds. The book also provides comprehensive account of morphology, mycotoxins produced and factors leading to the elaboration of mycotoxins. Information on their molecular detection, anamorphic and teleomorphic relationships is also included.

}, author = {Vankudoth, Koteswara Rao and Sivadevuni, Girisham and Reddy S. M.} } @article {43433, title = {Temperature sensitive emission color tuning and white light emission in segmented OPV polymer: perylene bisimide supramolecular complex}, journal = {Macromolecules}, volume = {49}, year = {2016}, month = {NOV}, pages = {8134-8145}, abstract = {An oligo(phenylenevinylene) (OPV) based segmented polymer (POPV) and its small molecule model compound (SOPV) were designed with a carboxyl functionality in the side chain. The polymer and small molecule were complexed with pyridine functiorialized perylene bisimide (UPBIPy) and the properties of the donor: acceptor (D:A) complexes were compared. Both polymer and small molecule D:A complexes formed lamellar morphologies in the <10 nm length scale, which could be visualized by TEM and AFM imaging. The flexibility of the segmented polymer architecture imparted special properties to the polymer and its complex. The polymer complex (POPVC) exhibited white light emission with CIE color coordinates (0.27, 0.32) due to partial energy transfer from POPV to UPBIPy. The analogous model OPV complex (SOPVC) continued to show characteristic blue OPV emission in the complex also. The higher sensitivity of polymers toward temperature was made use of to tune the emission color in the complex from white (0.27, 0.32) at 30 degrees C to yellow-green (0.29, 0.31) at 100 degrees C and back to white (0.27, 0.31) upon cooling to 30 degrees C. Such a temperature sensitive emission color tuning was not observed in the small molecule complex under identical conditions.}, doi = {10.1021/acs.macromol.6b01708}, author = {Shinde, Shekhar and Asha, S. K.} } @article {42997, title = {Template determines whether chemically identical nanoparticle scaffolds show elastic recovery or plastic failure}, journal = {Langmuir}, volume = {32}, year = {2016}, month = {NOV}, pages = {11623-11630}, abstract = {

Subtle variations in the preparation of ice-templated nanoparticle assemblies yield monoliths that are chemically identical but exhibit qualitatively different mechanical behavior. We ice template aqueous dispersions to prepare macroporous monoliths largely comprising silica nanoparticles held together by a crosslinked polymer mesh. When the polymer is crosslinked in the presence of ice crystals, we obtain an elastic sponge that is capable of recovery after imposition of large compressive strains (up to 80\%). If, however, the ice is lyophilized before the polymer is crosslinked, we obtain a plastic monolith that fails even for modest strains (less than 10\%). The elastic sponge and the plastic monolith are chemically identical; they have the same organic content, the same ratio of polymer to crosslinker, and the same average crosslink density. Atomic force microscopy (AFM) was used to probe the local mechanical properties of the crosslinked polymer mesh. These measurements indicate that plastic monoliths dissipate significantly more energy and have a larger spatial variation in local mechanical response relative to the elastic sponges. We believe that this behavior might correlate with a wider spatial distribution of crosslinks in plastic scaffolds relative to elastic scaffolds.

}, doi = {10.1021/acs.langmuir.6b03173}, author = {Suresh, Karthika and Patil, Shivprasad and Rajamohanan, Pattuparambil Ramanpillai and Kumaraswamy, Guruswamy} } @article {43009, title = {Thermal stimuli-responsive behavior of pyrene end-functionalized PDMS through tunable P{\textendash}P interactions}, journal = {Journal of Polymer Science Part B-Polymer Physics}, volume = {54}, year = {2016}, month = {JAN}, pages = {159-168}, abstract = {

Pyrene end-functionalized, telechelic poly(dimethyl siloxane) (PDMS) materials were synthesized and their response to different thermal stimuli was evaluated. The incorporation of pyrene end groups introduces strong pi-pi interactions that facilitated a broad range of thermally responsive properties, in some circumstances forming pyrene nanocrystals that serve as physical crosslinks leading to elastic materials. By synthesizing different chain lengths, samples exhibiting a 7 orders of magnitude change in storage modulus in response to thermal stimuli were produced by modifying only the end-groups (0.6 wt \% of all polymer segments). Repeated thermal cycling during rheological experiments revealed that pi-pi interaction and crystallization/melting kinetics of pyrene chain-ends plays a key role in their thermal responsiveness. The properties of these materials were tuned by adding free pyrene, neat PDMS, or graphene oxide (GO) nanoparticles, making them attractive for many applications (e.g., tunable damping materials, heat/light sensors, conductive gels, or light repositionable adhesives). For example, nanocomposites containing 1 wt \% GO caused the melting temperature for pyrene crystal domains to more than double, and even induced pyrene end-group crystallization in samples that did not exhibit crystals in neat form. It is hypothesized that these features originate from pi-pi interactions between pyrene ends and GO surfaces. (C) 2015 Wiley Periodicals, Inc.

}, doi = {10.1002/polb.23805}, author = {Ha, Heonjoo and Shanmuganathan, Kadhiravan and Fei, Yunping and Ellison, Christopher J.} } @article { ISI:000370421500054, title = {Transferability of different classical force fields for right and left handed alpha-helices constructed from enantiomeric amino acids}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {7}, year = {2016}, month = {FEB}, pages = {5550-5563}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Amino acids can form D and L enantiomers, of which the L enantiomer is abundant in nature. The naturally occurring L enantiomer has a greater preference for a right handed helical conformation, and the D enantiomer for a left handed helical conformation. The other conformations, that is, left handed helical conformations of the L enantiomers and right handed helical conformations of the D enantiomers, are not common. The energetic differences between left and right handed alpha helical peptide chains constructed from enantiomeric amino acids are investigated using quantum chemical calculations (using the M06/6-311g(d,p) level of theory). Further, the performances of commonly used biomolecular force fields (OPLS/AA, CHARMM27/CMAP and AMBER) to represent the different helical conformations (left and right handed) constructed from enantiomeric (D and L) amino acids are evaluated. 5- and 10-mer chains from D and L enantiomers of alanine, leucine, lysine, and glutamic acid, in right and left handed helical conformations, are considered in the study. Thus, in total, 32 a-helical polypeptides (4 amino acids x 4 conformations of 5-mer and 10-mer) are studied. Conclusions, with regards to the performance of the force fields, are derived keeping the quantum optimized geometry as the benchmark, and on the basis of phi and psi angle calculations, hydrogen bond analysis, and different long range helical order parameters.

}, issn = {1463-9076}, doi = {10.1039/c5cp06715d}, author = {Biswas, Santu and Sarkar, Sujit and Pandey, Prithvi Raj and Roy, Sudip} } @article { ISI:000375969000054, title = {Transition metal doped aluminum clusters: an account of spin}, journal = {Journal of Physical Chemistry C}, volume = {120}, number = {18}, year = {2016}, month = {MAY}, pages = {10027-10040}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The influence of spin on the properties of small sized transition metal doped aluminum clusters are investigated in the framework of density functional theory (DFT). Detailed analysis on minimum spin doped aluminum clusters has shown prominent indication of odd even oscillation in various calculated properties, supporting the presence of jellium shell structures within them. However, optimized high spin ground state counterparts, on the other hand, show rather smooth trends consistent with the properties of bulk materials. Resemblance to the bulk transition metals is further reflected in the gradual declining trends of heat of adsorption of CO2 molecule on cluster surface by sequentially changing the dopant atom from scandium to zinc. All the observations are also compared and found to be consistent with the earlier theoretical and experimental findings as obtained in the current literature. The similarities in the properties between atomic clusters and the bulk material is of utter importance and indeed precious considering the promising influence of the acquired information in understanding the process of evolution of nanoparticles from constituent atoms.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.6b00510}, author = {Sengupta, Turbasu and Das, Susanta and Pal, Sourav} } @article { ISI:000375507300036, title = {Treatment of the pesticide industry effluent using hydrodynamic cavitation and its combination with process intensifying additives (H2O2 and ozone)}, journal = {Chemical Engineering Journal}, volume = {295}, year = {2016}, month = {JUL}, pages = {326-335}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Hydrodynamic cavitation (HC) and its combination with H2O2 and ozone have been applied in the present work for the treatment of industrial pesticide effluent. Initially, the effect of dilution of the effluent on the efficacy of hydrodynamic cavitation has been studied using circular venturi as a cavitator. Although an increase in the extent of dilution has not shown any beneficial effect on the actual moles of pollutant degraded, hybrid processes have been studied using 1:5 dilution due to very high TDS content of the effluent. Treatment of the industrial pesticide effluent using HC + ozone (3 gbh) process has demonstrated that the biodegradability index (BI) of the effluent increases from 0.123 to 0.324 after 2 h of operation. The rate of COD and TOC reduction has also increased by many folds by using HC in combination with ozone. In addition this, the treatment of industrial pesticide effluent using HC + H2O2 has also indicated that the rate of COD and TOC reduction increases significantly by using HC in combination with various loadings of H2O2. The study of interference of added H2O2 on the COD analysis has exhibited that the COD equivalence is 0.441 mg/L for 1 mg/L of H2O2. The energy efficiency and operating cost of various hybrid processes have been compared based on the cavitational yield and the cost of electricity. The combined process of HC and H2O2 has observed to be the most cost-effective one due to its higher cavitational yield and lower power consumption. (C) 2016 Elsevier B.V. All rights reserved.

}, keywords = {Biodegradability index, Hydrodynamic cavitation, Hydrogen peroxide, Industrial pesticide effluent, Ozone, Venturi}, issn = {1385-8947}, doi = {10.1016/j.cej.2016.03.019}, author = {Raut-Jadhav, Sunita and Badve, Mandar P. and Pinjari, Dipak V. and Saini, Daulat R. and Sonawane, Shirish H. and Pandit, Aniruddha B.} } @article { ISI:000368530300005, title = {Two chitotriose-specific lectins show anti-angiogenesis, induces caspase-9-mediated apoptosis and early arrest of pancreatic tumor cell cycle}, journal = {Plos One}, volume = {11}, number = {1}, year = {2016}, month = {JAN}, pages = {Article Number: e0146110}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA}, abstract = {

The antiproliferative activity of two chito-specific agglutinins purified from Benincasa hispida (BhL) and Datura innoxia (DiL9) of different plant family origin was investigated on various cancer cell lines. Both lectins showed chitotriose specificity, by inhibiting lectin hemagglutinating activity. On further studies, it was revealed that these agglutinins caused remarkable concentration-dependent antiproliferative effect on human pancreatic cancerous cells but not on the normal human umbilical vein endothelial cells even at higher doses determined using MTT assay. The GI(50) values were approximately 8.4 mu g ml(-1) (0.247 mu M) and 142 mu g ml(-1) (14.8 mu M) for BhL and DiL9, respectively, against PANC-1 cells. The growth inhibitory effect of these lectins on pancreatic cancer cells were shown to be a consequence of lectin cell surface binding and triggering G(0)/G(1) arrest, mitochondrial membrane depolarization, sustained increase of the intracellular calcium release and the apoptotic signal is amplified by activation of caspases executing cell death. Interestingly, these lectins also showed anti-angiogenic activity by disrupting the endothelial tubulogenesis. Therefore, we report for the first time two chito-specific lectins specifically binding to tumor glycans; they can be considered to be a class of molecules with antitumor activity against pancreatic cancer cells mediated through caspase dependent mitochondrial apoptotic pathway.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0146110}, author = {Singh, Ruby and Nawale, Laxman and Sarkar, Dhiman and Suresh, C. G.} } @article { ISI:000375739900014, title = {Two-layer spin coating flow of newtonian liquids: a computational study}, journal = {Computers \& Fluids}, volume = {131}, year = {2016}, month = {JUN}, pages = {180-189}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Spin coating is the most commonly used method in industries to form coating films of desired thickness and functionality. In case of two-layer spin coating process, stratified layers of two immiscible liquids are deposited onto the substrate simultaneously, which spread and thin to form two-layer coating film of finite thickness. Questions concerning the effect of surface/interfacial tension on uniformity of these films and contact line evolution are relevant and need thorough investigation. Therefore, an axisymmetric model governing the flow of two-layer spin coating process is developed here. Liquids used for the study are assumed to be Newtonian and fully wetting. The contact line singularity is resolved using a precursor layer model and the governing equations are simplified using lubrication approximation. A Galerkin finite-element method (G/FEM) based scheme is developed to solve the resulting fourth order non-linear PDEs. Simulation results reveal that the fluid properties like ratio of the viscosity of upper layer fluid to lower layer and ratio of the upper gas-liquid surface tension to inner liquid-liquid interfacial tension have profound impact on the time evolution of the film profile, contact radius and shape of the capillary ridges. It is observed that a uniform two-layer film surrounded by thin single layer film is formed when the viscosity ratio is small. On the contrary, when viscosity ratio is large, a thin two-layer film surrounded by bulky capillary ridges is formed. Similarly, the results also show that sharpness of capillary ridge increases with decrease in the surface tension ratio. Further, it is found that increase in the precursor layer thickness increases the spreading rate, thereby making the film more uniform. Finally, the uniformity of the final two-layer film does not get affected by the initial volume of fluid present in the upper layer. (C) 2016 Elsevier Ltd. All rights reserved.

}, keywords = {Axisymmetric flow, Mathematical modeling, Multi-layer coating, Precursor layer model, Thin-film flow, Two-layer spin coating}, issn = {0045-7930}, doi = {10.1016/j.compfluid.2016.03.016}, author = {Sahoo, Subhadarshinee and Arora, Akash and Doshi, Pankaj} } @article { ISI:000374185000009, title = {Two-phase flow boiling in 19mm tube: experiments and CFD modelling}, journal = {Canadian Journal of Chemical Engineering}, volume = {94}, number = {5}, year = {2016}, month = {MAY}, pages = {872-885}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

Boiling flows are encountered in a wide range of industrial applications such as boilers, nuclear reactors, electronic cooling, and various types of chemical reactors. Heat transfer coefficients, flow boiling regimes, flow instabilities, pressure drops, and conditions like dry-out are some of the key issues in every boiling flow study. It is observed that a limited experimental database is available for the 19mm ID channel diameter, i.e. a typical tube diameter of steam generator. Therefore, in the present work, the experimental setup was designed for studying boiling flows in a 19mm ID tube in such a way that different flow regimes occurring in a steam generator tube (from pre-heating of sub-cooled water to dry-out) could be investigated by varying inlet conditions. The reported results cover a reasonable range: 8-27kW/m(2) and 2.9-5.9kg/m(2)s heat and mass flux conditions, respectively. A basic computational flow model was also developed to facilitate interpretation of the obtained data. The presented design of the experimental setup and the approach of mimicking different types of steam generator tubes as well as presented experimental and simulated results are useful for gaining insight into complex boiling flows in tubes, and provide a sound basis for further work in this area.

}, keywords = {CFD, Flow regimes, two-phase flow boiling, vapour quality}, issn = {0008-4034}, doi = {10.1002/cjce.22455}, author = {Sardeshpande, Madhavi V. and Raymond, Barlev and Ranade, Vivek V.} } @article {43581, title = {Two-phase flow boiling pressure drop in small channels}, journal = {International Journal of Heat and Fluid Flow}, volume = {61}, year = {2016}, month = {OCT}, pages = {636-649}, abstract = {Two-phase flow boiling in small channels finds a variety of applications in power and process industries. Heat transfer, boiling flow regimes, flow instabilities, pressure drop and dry out are some of the key issues related to two-phase flow boiling in channels. In this work, the focus is on pressure drop in two-phase flow boiling in tubes of 19 mm diameter. These tubes are typically used in steam generators. Relatively limited experimental database is available on 19 mm ID tube. Therefore, in the present work, the experimental set-up is designed for studying flow boiling in 19 mm ID tube in such a way that any of the different flow regimes occurring in a steam generator tube (from pre-heating of sub-cooled water to dry-out) can be investigated by varying inlet conditions. The reported results cover a reasonable range of heat and mass flux conditions such as 9-27 kW/m(2) and 2.9-5.9 kg/m(2) s respectively. In this paper, various existing correlations are assessed against experimental data for the pressure drop in a single, vertical channel during flow boiling of water at near-atmospheric pressure. A special feature of these experiments is that time-dependent pressures are measured at four locations along the channel. The steady-state pressure drop is estimated and the identification of boiling flow regimes is done with transient characteristics using time series analysis. Experimental data and corresponding results are compared with the reported correlations. The results will be useful for understanding key aspects of flow boiling in small channels. (C) 2016 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.ijheatfluidflow.2016.07.008}, author = {Sardeshpande, Madhavi V. and Shastri, Parikshit and Ranade, Vivek V.} } @article {43608, title = {Ultrahydrophobic fluorous metal-organic framework derived recyclable composite as apromising platform to tackle marine oil spills}, journal = {Chemistry-A European Journal}, volume = {22}, year = {2016}, month = {JUL}, pages = {10937-10943}, abstract = {Derived from a strategically chosen hexafluorinated dicarboxylate linker aimed at the designed synthesis of a superhydrophobic metal-organic framework (MOF), the fluorine-rich nanospace of a water-stable MOF (UHMOF-100) exhibits excellent water-repellent features. It registered the highest water contact angle (approximate to 176 degrees) in the MOF domain, marking the first example of an ultrahydrophobic MOF. Various experimental and theoretical studies reinforce its distinc-tive water-repellent characteristics, and the conjugation of superoleophilicity and unparalleled hydrophobicity of a MOF material has been coherently exploited to achieve real-time oil/water separation in recyclable membrane form, with significant absorption capacity performance. This is also the first report of an oil/water separating fluorinated ultrahydrophobic MOF-based membrane material, with potential promise for tackling marine oil spillages.}, doi = {10.1002/chem.201601724}, author = {Mukherjee, Soumya and Kansara, Ankit M. and Saha, Debasis and Gonnade, Rajesh and Mullangi, Dinesh and Manna, Biplab and Desai, Aamod V. and Thorat, Shridhar H. and Singh, Puyam S. and Mukherjee, Arnab and Ghosh, Sujit K.} } @article { ISI:000380241600003, title = {Ultrasound- and molecular sieves-assisted synthesis, molecular docking and antifungal evaluation of 5-(4-(benzyloxy)-substituted phenyl)-3-((phenylamino)methyl)-1,3,4-oxadiazole-2(3H)-thiones}, journal = {Molecules}, volume = {21}, number = {5}, year = {2016}, month = {MAY}, pages = {484}, publisher = {MDPI AG}, address = {ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND}, abstract = {

A novel series of 5-(4-(benzyloxy) substituted phenyl)-3-((phenyl amino) methyl)-1,3,4-oxadiazole-2(3H)-thione Mannich bases 6a-o were synthesized in good yield from the key compound 5-(4-(benzyloxy) phenyl)-1,3,4-oxadiazole-2(3H)-thione by aminomethylation with paraformaldehyde and substituted amines using molecular sieves and sonication as green chemistry tools. The antifungal activity of the new products was evaluated against seven human pathogenic fungal strains, namely, Candida albicans ATCC 24433, Candida albicans ATCC 10231, Candida glabrata NCYC 388, Cryptococcus neoformans ATCC 34664, Cryptococcus neoformans PRL 518, Aspergillus fumigatus NCIM 902 and Aspergillus niger ATCC 10578. The synthesized compounds 6d, 6f, 6g, 6h and 6j exhibited promising antifungal activity against the tested fungal pathogens. In molecular docking studies, derivatives 6c, 6f and 6i showed good binding at the active site of C. albicans cytochrome P450 enzyme lanosterol 14 alpha-demethylase. The in vitro antifungal activity results and docking studies indicated that the synthesized compounds have potential antifungal activity and can be further optimized as privileged scaffolds to design and develop potent antifungal drugs.

}, keywords = {1, 3, 4-oxadiazoles, Antifungal activity, Mannich reaction, Molecular docking, Molecular sieves, Ultrasound}, issn = {1420-3049}, doi = {10.3390/molecules21050484}, author = {Nimbalkar, Urja D. and Tupe, Santosh G. and Seijas Vazquez, Julio A. and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Nikalje, Anna Pratima G.} } @article {45640, title = {Understanding endothelial dysfunction in diabetic cardiovascular complications using mass spectrometry-based proteomics}, journal = {Heart}, volume = {102}, year = {2016}, month = {OCT}, pages = {A16-A17}, type = {Article}, issn = {1355-6037}, doi = {10.1136/heartjnl-2016-310696.51}, author = {Banarjee, Reema and Sharma, Akshay and Bai, Shakuntala and Deshmukh, Arati and Kazi, Rubina and Kulkarni, Mahesh J.} } @article {42738, title = {Unified strategy for nickel-catalyzed C-2 Alkylation of indoles through chelation assistance}, journal = {ACS Catalysis}, volume = {6}, year = {2016}, month = {JUL}, pages = {5666{\textendash}5672}, abstract = {

A nickel-catalyzed direct C-2 alkylation of indoles through monodentate-chelation assistance has been described. This reaction proceeds via an unusual strategy by the use of a well-designed and defined (quinolinyl)amido{\textendash}nickel catalyst, [{κN,κN,κN-Et2NCH2C(O)(μ-N)C9H6N}Ni(OAc)], providing a solution to the limitations associated with bidentate-chelate auxiliaries. The method allows coupling of indoles with various unactivated primary and secondary alkyl halides with ample substrate scope. This uniquely strategized alkylation proceeded through crucial C{\textendash}H activation and via an alkyl radical intermediate. The reaction by this approach represents a rare example of Ni-catalyzed monodentate-chelate-assisted C{\textendash}H functionalization.

}, doi = {10.1021/acscatal.6b02003}, author = {Soni, Vineeta and Jagtap, Rahul A. and Gonnade, Rajesh G. and Punji, Benudhar} } @article { ISI:000371953000024, title = {Unraveling origins of the heterogeneous curvature dependence of polypeptide interactions with carbon nanostructures}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, number = {8}, year = {2016}, month = {FEB}, pages = {5910-5924}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Emerging nanotechnology has rapidly broadened interfacial prospects of biological molecules with carbon nanomaterials (CNs). A prerequisite for effectively harnessing such hybrid materials is a multifaceted understanding of their complex interfacial interactions as functions of the physico-chemical characteristics and the surface topography of the individual components. In this article, we address the origins of the curvature dependence of polypeptide adsorption on CN surfaces (CNSs), a phenomenon bearing an acute influence upon the behavior and activity of CN-protein conjugates. Our benchmark molecular dynamics (MD) simulations with the amphiphilic full-length amyloid beta (A beta) peptide demonstrate that protein adsorption is strongest on the concave (inner) CN-surface, weakest on the convex (outer) surface, and intermediary on the planar surface, in agreement with recent experimental reports. The curvature effects, however, are found to manifest non-uniformly between the amino acid subtypes. To understand the underlying interplay of the chemical nature of the amino acids and surface topography of the CNs, we performed high-level quantum chemical (QM) calculations with amino acid analogs (MA) representing their five prominent classes, and convex, concave and planar CN fragments. Molecular electrostatic potential maps reveal pronounced curvature dependence in the mixing of electron densities, and a resulting variance in the stabilization of the non-covalentty bound molecular complexes. Interestingly, our study revealed that the interaction trends of the high-level QM calculations were captured well by the empirical force field. The findings in this study have important bearing upon the design of carbon based bio-nanomaterials, and additionally, provide valuable insights into the accuracy of various computational techniques for probing non-bonded interfacial interactions.

}, issn = {1463-9076}, doi = {10.1039/c5cp04675k}, author = {Jana, Asis K. and Tiwari, Mrityunjay K. and Vanka, Kumar and Sengupta, Neelanjana} } @article { ISI:000380045400014, title = {Unravelling the mechanism of electrochemical degradation of PANI in supercapacitors: achieving a feasible solution}, journal = {Chemelectrochem}, volume = {3}, number = {6}, year = {2016}, month = {JUN}, pages = {933-942}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Herein, we have investigated the mode of electrochemical degradation of polyaniline (PANI) when it was utilized as electrodes for supercapacitors. The PANI-based electrodes in supercapacitor devices were biased at a constant potential of 0.80 V, and the performance characteristics and property changes were carefully investigated as a function of the difference in the polarity of the electrodes. Subsequent to this, the analysis of the individual electrodes [positive (POS-PANI) and negative (NEG-PANI)] shows that the degradation mainly occurs at POS-PANI in comparison to NEG-PANI. Moreover, NEG-PANI retains a maximum capacitance of 510 Fg(-1), with a low charge-transfer resistance (R-CT) of 1.84 Omega and similar redox behavior in comparison to the fresh PANI (f-PANI). In contrast to this case, POS-PANI shows significant loss in capacitance (250 Fg(-1)) and increase in R-CT (3.5 Omega) with a disappearance of the characteristic redox behavior normally displayed by PANI. Furthermore, the drastic drop in the electrical conductivity for POS-PANI (1.2 Scm(-1)) compared to f-PANI (3.4 Scm(-1) and NEG-PANI (2.4 Scm(-1)) shows that the degradation of PANI occurs mainly at the anode (POS-PANI) and, thus, contributes to reduce the net performance of the cell. Hence, to ensure this potential-induced degradation of PANI in supercapacitors and also to promote the system stability, we made an asymmetric supercapacitor (ASC) by keeping PANI as a negative electrode and using carbon as a positive electrode. The derived system is found to display stable capacitance behavior before and after the potential application, in contrast to the ASC fabricated by using conventional method, that is, by keeping PANI as the positive electrode and carbon as the negative electrode. Furthermore, the durability analysis of the prototype solid-state ASC shows an enhanced durability of 27000 cycles with excellent columbic efficiency. The findings of the present study will be helpful in the development of highly stable supercapacitors and other similar energy systems when a material like PANI should be utilized for the electrode applications.

}, keywords = {asymmetric supercapacitors, cycle stability, electrochemical degradation, polarization, redox chemistry}, issn = {2196-0216}, doi = {10.1002/celc.201500502}, author = {Sekar, Pandiaraj and Anothumakkool, Bihag and Vijayakumar, Vidyanand and Lohgaonkar, Apurva and Kurungot, Sreekumar} } @article {45651, title = {Urinary proteome alterations in HER2 enriched breast cancer revealed by multipronged quantitative proteomics}, journal = {Proteomics}, volume = {16}, year = {2016}, month = {SEP}, pages = {2403-2418}, type = {Article}, abstract = {

Globally, breast cancer is the second most common cancer among women. Although biomarker discoveries through various proteomic approaches of tissue and serum samples have been studied in breast cancer, urinary proteome alterations in breast cancer are least studied. Urine being a noninvasive biofluid and a significant source of proteins, it has the potential in early diagnosis of breast cancer. This study used complementary quantitative gel-based and gel-free proteomic approaches to find a panel of urinary protein markers that could discriminate HER2 enriched (HE) subtype breast cancer from the healthy controls. A total of 183 differentially expressed proteins were identified using three complementary approaches, namely 2D-DIGE, iTRAQ, and sequential window acquisition of all theoretical mass spectra. The differentially expressed proteins were subjected to various bioinformatics analyses for deciphering the biological context of these proteins using protein analysis through evolutionary relationships, database for annotation, visualization and integrated discovery, and STRING. Multivariate statistical analysis was undertaken to identify the set of most significant proteins, which could discriminate HE breast cancer from healthy controls. Immunoblotting and MRM-based validation in a separate cohort testified a panel of 21 proteins such as zinc-alpha2-glycoprotein, A2GL, retinol-binding protein 4, annexin A1, SAP3, SRC8, gelsolin, kininogen 1, CO9, clusterin, ceruloplasmin, and alpha 1-antitrypsin could be a panel of candidate markers that could discriminate HE breast cancer from healthy controls.

}, keywords = {2D-DIGE, Biomedicine, Breast cancer, HER2 enriched, SWATH, Urinary biomarkers}, issn = {1615-9853}, doi = {10.1002/pmic.201600015}, author = {Gajbhiye, Akshada and Dabhi, Raju and Taunk, Khushman and Vannuruswamy, Garikapati and RoyChoudhury, Sourav and Adhav, Ragini and Seal, Shubhendu and Mane, Anupama and Bayatigeri, Santhakumari and Santra, Manas K. and Chaudhury, Koel and Rapole, Srikanth} } @article { ISI:000371102800019, title = {Validation of force fields of rubber through glass-transition temperature calculation by microsecond atomic-scale molecular dynamics simulation}, journal = {Journal of Physical Chemistry B}, volume = {120}, number = {7}, year = {2016}, month = {FEB}, pages = {1367-1379}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Microsecond atomic-scale molecular dynamics simulation has been employed to calculate the glass-transition temperature (T-g) of cis- and trans-1,4-polybutadiene (PB) and 1,4-polyisoprene (PI). Both all-atomistic and united-atom models have been simulated using force fields, already available in literature. The accuracy of these decade old force fields has been tested by comparing calculated glass-transition temperatures to the corresponding experimental values. T-g depicts the phase transition in elastomers and substantially affects various physical properties of polymers, and hence the reproducibility of T-g becomes very crucial from a thermodynamic point of view. Such validation using T-g also evaluates the ability of these force fields to be used for advanced materials like rubber nanocomposites, where T-g is greatly affected by the presence of fillers. We have calculated T-g for a total of eight systems, featuring all-atom and united-atom models of cis- and trans-PI and-PB, which are the major constituents of natural and synthetic rubber. Tuning and refinement of the force fields has also been done using quantum-chemical calculations to obtain desirable density and T-g. Thus, a set of properly validated force fields, capable of reproducing various macroscopic properties of rubber, has been provided. A novel polymer equilibration protocol, involving potential energy convergence as the equilibration criterion, has been proposed. We demonstrate that not only macroscopic polymer properties like density, thermal expansion coefficient, and T-g but also local structural characteristics like end-to-end distance (R) and radius of gyration (R-g) and mechanical properties like bulk modulus have also been equilibrated using our strategy. Complete decay of end-to-end vector autocorrelation function with time also supports proper equilibration using our strategy.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b10789}, author = {Sharma, Pragati and Roy, Sudip and Karimi-Varzaneh, Hossein Ali} } @article { ISI:000371419200030, title = {Versatile Cu-II metal-organic framework exhibiting high gas storage capacity with selectivity for CO2: conversion of CO2 to cyclic carbonate and other catalytic abilities}, journal = {Chemistry-A European Journal}, volume = {22}, number = {10}, year = {2016}, month = {MAR}, pages = {3387-3396}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

A linear tetracarboxylic acid ligand, H4L, with a pendent amine moiety solvothermally forms two isostructural metal-organic frameworks (MOFs) L-M (M=Zn-II, Cu-II). Framework L-Cu can also be obtained from L-Zn by post- synthetic metathesis without losing crystallinity. Compared with L-Zn, the L-Cu framework exhibits high thermal stability and allows removal of guest solvent and metal-bound water molecules to afford the highly porous, L-Cu. At 77K, L-Cu absorbs 2.57wt\% of H-2 at 1bar, which increases significantly to 4.67wt\% at 36bar. The framework absorbs substantially high amounts of methane (238.38cm(3)g(-1), 17.03wt\%) at 303K and 60bar. The CH4 absorption at 303K gives a total volumetric capacity of 166cm(3)(STP)cm(-3) at 35bar (223.25cm(3)g(-1), 15.95wt\%). Interestingly, the NH2 groups in the linker, which decorate the channel surface, allow a remarkable 39.0wt\% of CO2 to be absorbed at 1bar and 273K, which comes within the dominion of the most famous MOFs for CO2 absorption. Also, L-Cu shows pronounced selectivity for CO2 absorption over CH4, N-2, and H-2 at 273K. The absorbed CO2 can be converted to value-added cyclic carbonates under relatively mild reaction conditions (20bar, 120 degrees C). Finally, L-Cu is found to be an excellent heterogeneous catalyst in regioselective 1,3-dipolar cycloaddition reactions (click reactions) and provides an efficient, economic route for the one-pot synthesis of structurally divergent propargylamines through three-component coupling of alkynes, amines, and aldehydes.

}, keywords = {click reactions, CO2 absorption, cyclic carbonate, heterogeneous catalysis, metal-organic frameworks}, issn = {0947-6539}, doi = {10.1002/chem.201504747}, author = {De, Dinesh and Pal, Tapan K. and Neogi, Subhadip and Senthilkumar, S. and Das, Debasree and Sen Gupta, Sayam and Bharadwaj, Parimal K.} } @article { ISI:000380565100006, title = {Virtual screening techniques to probe the antimalarial activity of some traditionally used phytochemicals}, journal = {Combinatorial Chemistry \& High Throughput Screening}, volume = {19}, number = {7}, year = {2016}, month = {JUL}, pages = {572-591}, publisher = {BENTHAM SCIENCE PUBL LTD}, address = {EXECUTIVE STE Y-2, PO BOX 7917, SAIF ZONE, 1200 BR SHARJAH, U ARAB EMIRATES}, abstract = {

Malaria parasites show resistance to most of the antimalarial drugs and hence developing antimalarials which can act on multitargets rather than a single target will be a promising strategy of drug design. Here we report a new approach by which virtual screening of 292 unique phytochemicals present in 72 traditionally important herbs is used for finding out inhibitors of plasmepsin-2 and falcipain-2 for antimalarial activity against P. falciparum. Initial screenings of the selected molecules by Random Forest algorithm model of Weka using the bioassay datasets AID 504850 and AID 2302 screened 120 out of the total 292 phytochemicals to be active against the targets. Toxtree scan cautioned 21 compounds to be either carcinogenic or mutagenic and were thus removed for further analysis. Out of the remaining 99 compounds, only 46 compounds offered drug-likeness as per the {\textquoteleft}rule of five{\textquoteright} criteria. Out of ten antimalarial drug targets, only two target proteins such as 3BPF and 3PNR of falcipain-2 and 1PFZ and 2BJU of plasmepsin-2 are selected as targets. The potential binding of the selected 46 compounds to the active sites of these four targets was analyzed using MOE software. The docked conformations and the interactions with the binding pocket residues of the target proteins were understood by {\textquoteleft}Ligplot{\textquoteright} analysis. It has been found that 8 compounds are dual inhibitors of falcipain-2 and plasmepsin-2, with the best binding energies. Compound 117 (6aR, 12aS)-12a-Hydroxy-9-methoxy-2,3-dimethylenedioxy-8-prenylrotenone (Usaratenoid C) present in the plant Millettia usaramensis showed maximum molecular docking score.

}, keywords = {ADME, malaria, Molecular docking, molecular operating environment, Plasmodium falciparum, virtual screening, weka}, issn = {1386-2073}, doi = {10.2174/1386207319666160420141200}, author = {Shibi, Indira G. and Aswathy, Lilly and Jisha, Radhakrishnan S. and Masand, Vijay H. and Gajbhiye, Jayant M.} } @article { ISI:000368032100012, title = {Vitro and in silico antifungal efficacy of nitrogen- doped carbon nanohorn ( NCNH) against rhizoctonia solani}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {34}, number = {1}, year = {2016}, month = {JAN}, pages = {152-162}, publisher = {TAYLOR \& FRANCIS INC}, type = {Article}, address = {530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA}, abstract = {

We have investigated in vitro antifungal efficiency of nitrogen-doped carbon nanohorn (NCNH) against Rhizoctonia solani (R. solani) plant pathogenic fungi. NCNH with size of 50-60nm and concentrations of 10, 50, 100, and 150gmL(-1) were used. The results showed that growth of fungi in the presence of NCNH was significantly (p\>.05) inhibited at 150gmL(-1) (85.13 +/-.97) after 72h. The results were validated through computational approaches. Molecular docking analysis of NCNH with endochitinase protein of R. solani was performed to validate the potential of antifungal activity of NCNH. Docking results showed different conformations of interaction of NCNH with endochitinase enzyme. The conformation with least binding energy -13.54kcal/mol was considered further. It is likely that NCNH interacts with the pathogens by mechanically wrapping, which may be one of the major toxicity actions of NCNH against R. solani. The analysis showed that NCNH might interwinds to endochitinase of R. solani leading to the deactivation of the enzyme. To best of our knowledge, this is the first report of antifungal efficacy of NCNH against R. solani and provides useful information about the application of NCNH in resisting crop disease.

}, keywords = {docking, endochitinase, nitrogen-doped carbon nanohorn, Rhizoctonia solani}, issn = {0739-1102}, doi = {10.1080/07391102.2015.1018841}, author = {Dharni, Seema and Sanchita and Unni, SreeKuttan M. and Kurungot, Sreekumar and Samad, Abdul and Sharma, Ashok and Patra, Dharani Dhar} } @inbook { ISI:000375719300020, title = {What can simulations tell us about GPCRs: integrating the scales}, booktitle = {G Protein-Coupled Receptors: Signaling, Trafficking and Regulation}, series = {Methods in Cell Biology}, volume = {132}, year = {2016}, pages = {429-452}, publisher = {Elsevier Academic Press Inc.}, organization = {Elsevier Academic Press Inc.}, address = {525 B Street, Suite 1900, San Diego, CA 92101-4495 USA :}, abstract = {

The functional dynamics of G protein-coupled receptors (GPCRs) encompasses multiple spatiotemporal scales, ranging from femtoseconds to seconds and Angstroms to micrometers. Computational approaches, often in close collaboration with experimental methods, have been invaluable in unraveling GPCR structure and dynamics at these various hierarchical levels. The binding of natural and synthetic ligands to the wild-type and naturally occurring variant receptors have been analyzed by several computational methods. The activation of receptors from the inactive to the active state has been investigated by atomistic simulations and ongoing work on several receptors will help uncover general and receptor-specific mechanisms. The interaction of GPCRs with complex membranes that contain phospholipids and cholesterol have been probed by coarse-grain methods and shown to directly influence receptor association. In this chapter, we discuss computational approaches that have been successful in analyzing each scale of GPCR dynamics. An overview of these approaches will allow a more judicious choice of the appropriate method. We hope that an appreciation of the power of current computational approaches will encourage more critical collaborations. A comprehensive integration of the different approaches over the entire spatiotemporal scales promises to unravel new facets of GPCR function.

}, isbn = {978-0-12-803612-9; 978-0-12-803595-5}, issn = {0091-679X}, doi = {10.1016/bs.mcb.2015.11.007}, author = {Sengupta, Durba and Joshi, Manali and Athale, Chaitanya A. and Chattopadhyay, Amitabha}, editor = {Shukla, AK} } @article {43801, title = {4-Phenyl quinoline derivatives as potential serotonin receptor ligands with antiproliferative activity}, journal = {European Journal of Medicinal Chemistry}, volume = {136}, year = {2017}, month = {AUG}, pages = {246-258}, type = {Article}, abstract = {Antagonists of signaling receptors are often effective non-toxic therapeutic agents. Over the years, there have been evidences describing the role of serotonin or 5-hydroxytryptamine (5-HT) in development of cancer. Although there are reports on the antiproliferative effects of some serotonin receptor antagonists, there are very few investigations related to understanding their structure-activity relationships. In this study, we report the screening of a library of 4-phenyl quinoline derivatives for their antiproliferative activities. Preliminary docking studies indicated that these ligands had the ability to bind to two of the serotonin. receptors, 5-HT1B and 5-HT2B. The results of the in silico experiments were validated by performing in vitro studies on MCF-7 breast cancer cell line. The ethylpiperazine derivatives showed maximum toxicity against this cancer cell line. The compounds inhibited Calcium ion efflux (induced by serotonin) and ERK activation. One of the most active 4-phenyl quinoline derivatives (H3a) also induced apoptosis, thereby, suggesting the use of this scaffold as a potential anticancer drug. (C) 2017 Elsevier Masson SAS. All rights reserved.}, doi = {10.1016/j.ejmech.2017.05.002}, author = {Joshi, Pranaya V. and Sayed, Alim A. and RaviKumar, Ameeta and Puranik, Vedavati G. and Zinjarde, Smita S.} } @article {43493, title = {Acetone and methanol fruit extracts of terminalia paniculata inhibit HIV-1 infection in vitro}, journal = {Natural Product Research}, volume = {31}, year = {2017}, month = {JAN}, pages = {1468-1471}, abstract = {In this study, we report the in vitro anti-HIV1 activity of acetone and methanol extracts of fruit of Terminalia paniculata. Cytotoxicity tests were conducted on TZM-bl cells and peripheral blood mononuclear cells (PBMC), the CC50 values of both the extracts were 260g/mL. Using TZM-bl cells, the extracts were tested for their ability to inhibit replication of two primary isolates HIV-1 (X4, Subtype D) and HIV-1 (R5, Subtype C). The activity against HIV-1 primary isolate (R5, Subtype C) was confirmed using activated PBMC and by quantification of HIV-1 p24 antigen. Both the extracts showed anti-HIV1 activity in a dose-dependent manner. The EC50 values of the acetone and methanol extracts of T. paniculata were 10.3g/mL. The enzymatic assays were performed to determine the mechanism of action which indicated that the anti-HIV1 activity might be due to inhibition of reverse transcriptase (77.7\% inhibition) and protease (69.9\% inhibition) enzymes. }, doi = {10.1080/14786419.2016.1258561}, author = {Durge, Ankita and Jadaun, Pratiksha and Wadhwani, Ashish and Chinchansure, Ashish A. and Said, Madhukar and Thulasiram, H. V. and Joshi, Swati P. and Kulkarni, Smita S.} } @article {43882, title = {Activity tuning of cobalt ferrite nanoparticles anchored on N-doped reduced graphene oxide as a potential oxygen reduction electrocatalyst by Zn substitution in the spinel matrix}, journal = {Chemistry Select}, volume = {2}, year = {2017}, month = {SEP}, pages = {7845-7853}, type = {Article}, abstract = {

Development of highly efficient and durable ORR catalysts by using non-platinum group metals (such as Co, Fe, Mn, and Zn) is a challenging task in the forward path towards the realization of low-cost energy devices in the commercial stream. The present work deals with an effective strategy wherein an efficient Pt-free electrocatalyst for oxygen reduction reaction (ORR) is prepared by stoichiometrically substituting some fraction of Fe with Zn in cobalt ferrite and anchoring these spinel nanoparticles on nitrogen doped reduced graphene oxide (N-rGO). Zn substitution is found to be significantly altering the ratio of Fe2+/Fe3+ in the cobalt ferrite nanocrystal system with a concomitant promotional influence on its electrocatalytic activity towards ORR. The nanoparticle composition with a Co, Fe and Zn molar ratio of 1.0:1.7:0.3, represented by the formula CoFe1.7Zn0.3O4(CFZn(0.3)), supported over N-rGO has shown 10 mV and 20 mV positive shift in the onset and half-wave potentials, respectively, for ORR in 0.1 M KOH in comparison to the nanoparticles of CoFe2O4 supported over N-rGO (CF/N-rGO). The optimum Zn substitution is found to be narrowing down the difference with the state-of-the-art Pt/C for ORR by 100 and 110 mV in terms of the onset and half-wave potentials, respectively. Most significantly, the homemade catalyst is found to be clearly outperforming the Pt catalyst in terms of the limiting current density and electrochemical durability.

}, keywords = {Carbon Nano-fiber, Cathod Catalyst, CoFe2O4, Evolution, Magnetic-properties, Membrane fuel- Cell, Metal-Air Batteries, N-doped graphene, Nanocrystalline, nanocrystals, oxygen reduction reaction, performance, Platinium, solvothermal synthesis, Zn substituted cobalt ferrite}, issn = {2365-6549}, doi = {10.1002/slct.201701684}, author = {Kashyap, Varchaswal and Singh, Santosh K. and Kurungot, Sreekumar} } @article {43999, title = {Acyclic αγα-tripeptides with fluorinated- and nonfluorinated-furanoid sugar framework: importance of fluoro substituent in reverse-turn induced self-assembly and transmembrane ion-transport activity}, journal = {Journal Of Organic Chemistry}, volume = {82}, year = {2017}, month = {JUN}, chapter = {5826-5834}, abstract = {

Acyclic αγα-tripeptides derived from fluorinated-furanoid sugar amino acid frameworks act as reverse-turn inducers with a U-shaped conformation, whereas the corresponding nonfluorinated αγα-tripeptides show random peptide conformations. The NMR studies showed the presence of bifurcated weak intramolecular hydrogen bonding (F{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}HN) and N+{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}Fδ- charge-dipole attraction compel the amide carbonyl groups to orient antiperiplanar to the C-F bond, thus, demonstrating the role of the fluorine substituent in stabilizing the U-shaped conformation. The NOESY data indicate that the U-shaped tripeptides self-assembly formation is stabilized by the intermolecular hydrogen bonding between C=O{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}HN with antiparallel orientation. This fact is supported by ESI-MS data, which showed mass peaks up to the pentameric self-assembly, even in the gas phase. The morphological analysis by FE-SEM, on solid samples, showed arrangement of fibers into nanorods. The antiparallel self-assembled pore of the fluorinated tripeptides illustrates the selective ion-transport activity. The experimental findings were supported by DFT studies.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b00661}, author = {Burade, S. S. and Shinde, S. V. and Bhuma, N. and Kumbhar, N. and Kotmale, A. and Rajamohanan, P. R. and Gonnade, R. G. and Talukdar, P. and Dhavale, D. D.} } @article {43979, title = {Allostreptomyces indica sp. nov., isolated from India}, journal = {Journal of Antibiotics}, volume = {70}, year = {2017}, month = {OCT}, pages = {1000-1003}, type = {Journal Article}, abstract = {A novel actinobacterium, designated strain YIM 75704T, was isolated from a limestone quarry located at Gulbarga, Karnataka, India. The novel strain has showed typical morphological and chemotaxonomic characteristics of the family Streptomycetaceae. Comparison of 16S rRNA gene sequences indicated that this strain represents a novel member of the family Streptomycetaceae and exhibited 99.0\% 16S rRNA gene sequence similarities with the type species of the recently described novel genus Allostreptomyces, that is, Allostreptomyces psammosilenae, whereas other species of Streptomyces were below 95\% sequence similarity. The cell hydrolysates contained the LL-isomer of diaminopimelic acid and the predominant quinones were MK-9 (H 6, H 8 and H 4). The polar lipid profile consisted of diphosphatidylglycerol, phosphatidylinositolmannosides and three unknown phospholipids. The DNA G+C content was 75.0 mol\%. A polyphasic study of the strain with morphological, phenotypic, phylogenetic and with DNA-DNA hybridization evidence with related members showed that this strain represents novel species of Allostreptomyces for which the name Allostreptomyces indica sp. nov., is proposed. The type strain is YIM 75704 T (= DSM 41985T =CCTCC AA 209051T = NCIM 5485T).}, doi = { 10.1038/ja.2017.82}, author = {Sahu, A.K.}, editor = {Quadri, S.R} } @article {44032, title = {Amaranthus caudatus lectin with polyproline II fold: conformational and functional transitions and molecular dynamics}, journal = {Journal of biomolecular Structure \& Dynamics}, volume = {1}, year = {2017}, month = {JUL}, type = {Article}, abstract = {Polyproline II (PPII) fold, a peculiar structural element was detected in the Amaranthus caudatus seed lectin (ACL) based on far UV circular dichroism spectrum, conformational transitions of the lectin and a distinct isodichroic point in thermal denaturation. It was confirmed by using PolyprOnline database to estimate the percentage of amino acids contributing to PPII fold and showed the values as 13.5\% and 13.9\% for PROSS and XTLSSTR, respectively. Investigations of the functional and conformational transitions of ACL during thermal, pH and guanidine hydrochloride (GdnHCl) induced denaturation were carried out using biochemical and biophysical techniques and molecular dynamics (MD) simulations approach. The lectin got aggregated at 60 {\textdegree}C with instantaneous structural alterations. The aggregation-prone regions in ACL were predicted using online servers viz. AGGRESCAN, AmylPred, FoldAmyloid and Waltz that were represented by Visual Molecular Dynamics tools. Nine conserved regions were identified by these softwares as being {\textquoteleft}hot-spots{\textquoteright} for aggregation. MD simulation studies of the lectin at 60 {\textdegree}C revealed increase in radius of gyration. The loss of PPII fold in 2.0 M GdnHCl was reversible. The partially unfolded intermediate of ACL with diminished PPII fold formed at pH 1.0 was stable up to 90 {\textdegree}C. The polyproline II fold has been rarely detected in lectins, ACL being the second after the potato lectin.}, doi = {10.1080/07391102.2017.1345328}, author = {Yadav, Priya and Shahane, Ganesh and Gaikwad, Sushama M.} } @article {44018, title = {Ammonia-modified graphene sheets decorated with magnetic Fe3O4 nanoparticles for the photocatalytic and photo-Fenton degradation of phenolic compounds under sunlight irradiation}, journal = {Journal of hazardous materials }, volume = {325}, year = {2017}, month = {NOV}, type = {Article}, abstract = {Synthesis of easily separable and eco-friendly efficient catalyst with both photocatalytic and photo-Fenton degradation properties is of great importance for environment remediation application. Herein, ammonia-modified graphene (AG) sheets decorated with Fe3O4 nanoparticles (AG/Fe3O4) as a magnetically recoverable photocatalyst by a simple in situ solution chemistry approach. First, we have functionalized graphene oxide (GO) sheets by amide functional group and then Fe3O4 nanoparticles (NPs) are doped onto the functionalized GO surface. The AG/Fe3O4 nanocomposite showed efficient photocatalytic activity towards degradation of phenol (92.43\%), 2-nitrophenol (2-NP) (98\%) and 2-chlorophenol (2-CP) (97.15\%) within 70{\textendash}120 min. Consequently, in case of photo-Fenton degradation phenomenon, 93.56\% phenol, 98.76\% 2-NP and 98.06\% of 2-CP degradation were achieved within 50{\textendash}80 min using AG/Fe3O4 nanocomposite under sunlight irradiation. The synergistic effect between amide functionalized graphene and Fe3O4 nanoparticles (NPs) enhances the photocatalytic activity by preventing the recombination rate of electron-hole-pair in Fe3O4 NPs. Furthermore, the remarkable reusability of the AG/Fe3O4 nanocomposite was observed up to ten cycles during the photocatalytic degradation of these phenolic compounds.}, doi = {10.1016/j.jhazmat.2016.11.023}, author = {Boruah, Purna K. and Sharma, Bhagyasmeeta and Karbhal, Indrapal and Shelke, Manjusha V. and Das, Manash R.} } @article {43825, title = {Amphi-functional mesoporous silica nanoparticles for dye separation}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {JUL}, pages = {14914-14921}, type = {Article}, abstract = {Synthesis of amphi-functional mesoporous silica nanoparticles (similar to 80 nm) by stepwise chemical modifications of outer and inner pore surfaces is reported. These materials display a clear "Janus" like character and are able to selectively and completely separate hydrophobic dyes form a mixture of dyes. Our results clearly suggest a clear partition of more hydrophobic dyes into the pores from a mixture of two dyes. In addition this material displays a remarkable recycling ability for 10 cycles with up to similar to 99\% dye removal from water.}, doi = {10.1039/c7ta03904b}, author = {Shinde, Pravin and Sen Gupta, Sayam and Singh, Baljeet and Polshettiwar, Vivek and Prasad, Bhagavatula L. V.} } @article {45677, title = {Anti-proliferative effect of novel primary cetyl alcohol derived sophorolipids against human cervical cancer cells HeLa}, journal = {Plos One}, volume = {12 }, year = {2017}, month = {APR}, pages = {e0174241}, type = {Article}, abstract = {Sophorolipids (SLs) are glycolipid biosurfactants that have been shown to display anticancer activity. In the present study, we report anti-proliferative studies on purified forms of novel SLs synthesized using cetyl alcohol as the substrate (referred as SLCA) and their anticancer mechanism in human cervical cancer cells. Antiproliferative effect of column purified SLCA fractions (A, B, C, D, E and F) was examined in panel of human cancer cell lines as well as primary cells. Among these fractions, SLCA B and C significantly inhibited the survival of HeLa and HCT 116 cells without affecting the viability of normal human umbilical vein endothelial cells (HUVEC). The two fractions were identified as cetyl alcohol sophorolipids with non-hydroxylated tail differing in the degree of acetylation on sophorose head group. At an IC50 concentration SLCA B (16.32 mu g ml(-1)) and SLCA C (14.14 mu g ml(-1)) blocked the cell cycle progression of HeLa cells at G1/S phase in time-dependent manner. Moreover, SLCA B and SLCA C induced apoptosis in HeLa cells through an increase in intracellular Ca2+ leading to depolarization of mitochondrial membrane potential and increase in the caspase-3, -8 and -9 activity. All these findings suggest that these SLCAs could be explored for their chemopreventive potential in cervical cancer.}, doi = {10.1371/journal.pone.0174241}, author = {Nawale, Laxman and Dubey, Parul and Chaudhari, Bhushan and Sarkar, Dhiman and Prabhune, Asmita} } @article {43949, title = {Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {MAY}, pages = {515-531}, type = {Article}, abstract = {

Abstract: Molecular Property Diagnostic Suite (MPDS TB) is a web tool (http://mpds.osdd.net) designed to assist the in silico drug discovery attempts towards Mycobacterium tuberculosis (Mtb). MPDS TB tool has nine modules which are classified into data library (1{\textendash}3), data processing (4{\textendash}5) and data analysis (6{\textendash}9). Module 1 is a repository of literature and related information available on the Mtb. Module 2 deals with the protein target analysis of the chosen disease area. Module 3 is the compound library consisting of 110.31 million unique molecules generated from public domain databases and custom designed search tools. Module 4 contains tools for chemical file format conversions and 2D to 3D coordinate conversions. Module 5 helps in calculating the molecular descriptors. Module 6 specifically handles QSAR model development tools using descriptors generated in the Module 5. Module 7 integrates the AutoDock Vina algorithm for docking, while module 8 provides screening filters. Module 9 provides the necessary visualization tools for both small and large molecules. The workflow-based open source web portal, MPDS TB 1.0.1 can be a potential enabler for scientists engaged in drug discovery in general and in anti-TB research in particular. Graphical Abstract: SYNOPSIS: A web-based MPDS TB Galaxy tool is developed for assessing therapeutic potential of molecules. MPDS TB is categorized into Data Library, Data Processing and Data Analysis. It can be a potential enabler for scientists engaged in drug discovery in general and in anti-TB research in particular. [Figure not available: see fulltext.] {\textcopyright} 2017, Indian Academy of Sciences.

}, keywords = {chemical analysis, Chemoinformatics, computational chemistry, Diagnosis, Drug discovery portal, Information analysis, Libraries, Molecular graphics, Molecules, Neglected diseases, Open science, Portals, tuberculosis, Web-based technology, Websites}, issn = {0974-3626}, doi = {10.1007/s12039-017-1268-4}, author = {Gaur, A. S. and Bhardwaj, A. and Sharma, A. and John, L. and Vivek, M. R. and Tripathi, N. and Bharatam, P. V. and Kumar, R. and Janardhan, S. and Mori, A. and Banerji, A. and Lynn, A. M. and Hemrom, A. J. and Passi, A. and Singh, A. and Kumar, A. and Muvva, C. and Madhuri, C. and Choudhury, C. and Kumar, D. A. and Pandit, D. and Bharti, D. R. and Kumar, D. and Singam, E. A. and Raghava, G. P. and Sailaja, H. and Jangra, H. and Raithatha, K. and Tanneeru, K. and Chaudhary, K. and Karthikeyan, M. and Prasanthi, M. and Kumar, N. and Yedukondalu, N. and Rajput, N. K. and Saranya, P. S. and Narang, P. and Dutta, Prantu and Krishnan, R.} } @article {43912, title = {Automating multistep flow synthesis: approach and challenges in integrating chemistry, machines and logic}, journal = {Beilstein Journal of Organic Chemistry}, volume = {13}, year = {2017}, month = {APR}, pages = {960{\textendash}987}, type = {Article}, abstract = {The implementation of automation in the multistep flow synthesis is essential for transforming laboratory-scale chemistry into a reliable industrial process. In this review, we briefly introduce the role of automation based on its application in synthesis viz. auto sampling and inline monitoring, optimization and process control. Subsequently, we have critically reviewed a few multistep flow synthesis and suggested a possible control strategy to be implemented so that it helps to reliably transfer the laboratory-scale synthesis strategy to a pilot scale at its optimum conditions. Due to the vast literature in multistep synthesis, we have classified the literature and have identified the case studies based on few criteria viz. type of reaction, heating methods, processes involving in-line separation units, telescopic synthesis, processes involving in-line quenching and process with the smallest time scale of operation. This classification will cover the broader range in the multistep synthesis literature.}, doi = {10.3762/bjoc.13.97}, author = {Shukla, Chinmay and Kulkarni, Amol A.} } @article {45666, title = {Benz-amidinato calcium iodide catalyzed aldehyde and ketone hydroboration with unprecedented functional group tolerance}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {APR}, pages = {4562-4564}, type = {Article}, abstract = {A benz-amidinato calcium compound, [PhC(NiPr)(2)Cal] (1), catalyzed hydroboration of a wide range of aldehydes and ketones using pinacolborane (HBpin) at room temperature is reported. The catalyst shows functional group tolerance even towards OH and NH groups. The strategy was further extended to imines.}, doi = {10.1039/c7cc02311a}, author = {Yadav, S. and Pahar, S. and Sen, S. S.} } @article {43904, title = {Binding selectivity of vitamin K3 based chemosensors towards nickel(II) and copper(II) metal ions}, journal = {Journal of molecular Structure}, volume = {1143}, year = {2017}, month = {SEP}, chapter = {495-514}, abstract = {

The vitamin K3 derivatives 2-methyl-3-[(pyridin-2-ylmethyl)-amino]-1,4-naphthoquinone (M-1), 2-methyl-3-[(pyridin-2-ylethyl)-amino]-1,4-naphthoquinone (M-2), 2-methyl-3-((2-(thiophen-2-yl) methyl)amino)naphthalene-1,4-dione (M-3) and 2-methyl-3-((2-(thiophen-2-yl)ethyl)amino)naphthalene-1,4-dione (M-4) have been synthesized, characterized and studied for their chemosensor abilities towards transition metal ions. Crystal structures of M-1 to M-4 revealed a variety of N-H center dot center dot O, C-H center dot center dot center dot O, C-H center dot center dot center dot pi and pi center dot center dot center dot pi interactions. Minor variations in such interactions by chemical stimuli such as metal ions, results in change in color that can be visualized by naked eyes. It has been shown that electronic structure and H-1 NMR, vibrational as well as electronic spectra from the density functional theory agree well with the experiments. The metal ion binding in ethanol, ethanol-water and in mild base triethylamine brings forth recognizing ability of M-1 toward Ni2+ whereas M-2 exhibits large sensing ability for Cu2+ ion. Interestingly M-1 display varying metal ion binding specificity in different solvents with the association constant in ethanol being 11,786 M-1 for Ni2+ compared to 9462 M-1 for the Cu2+. A reversal in preferential binding of M-2 with the respective association constants being 4190 M-1 and 6370 M-1 is discernible. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {Aminonaphthoquinone Molecular-structures, Anthraquinone, Aqueous-solution, Chemosensor, Crystal-structures, Cu(II), Derivatives, DFT, Fluorometric Chemosensors, hydrogen bonding, Naphthoquinone, pi-pi stacking, Recognition, sensors}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2017.04.094}, author = {Patil, Amit and Lande, Dipali N. and Nalkar, Archana and (Gejji, Shridhar P. and Chakrovorty, Debamitra and Gonnade, Rajesh and Moniz, Tania and Rangel, Maria and Pereira, Eulalia and Salunke-Gawali, Sunita} } @article {44136, title = {Biology and development of xanthopimpla pedator (hymenoptera: ichneumonidae): pupal endoparasitoid of antheraea mylitta (Lepidoptera: Saturniidae)}, journal = {Annals of the Entomological Society of America}, volume = {110}, year = {2017}, month = {NOV}, pages = {544-550}, type = {Article}, abstract = {The Antheraea mylitta (Drury) (Lepidoptera: Saturniidae) is a commercially important species for the production of tasar silk. However, the Xanthopimpla pedator (F.) (Hymenoptera: Ichneumonidae) is a major pupal endoparasitoid of A. mylitta, which affects the total tasar silk production in India. A gravid female X. pedator parasitizes the pupae of A. mylitta by depositing an egg, which produces a single offspring per host. We studied the development of immature forms of X. pedator by dissecting parasitized pupae of A. mylitta under laboratory conditions at 28-30 degrees C and 40-60\% relative humidity. All immature stages of the parasitoid develop within the host in 20-22 d, by devouring the entire pupal content, resulting in dead or seedless cocoons. The total life cycle of X. pedator is completed inside the host pupa and the adult emerges out by rupturing the peduncle end of the cocoon. During development of X. pedator, five preimaginal stages, viz., egg, larval instars, prepupa, pupa, and a pharate adult, were observed. Xanthopimpla pedator passes through five larval instars identified by structural and morphometric variations. These include primary larva (L1), the intermediate larvae (L2-L4), and the finalinstar larva (L5). Biometric study and larval head width permitted the morphological separation of all five larval instars. In the present study, the biology and development of X. pedator inside the pupa of A. mylitta are reported for the first time with detailed photomicrographs. Therefore, the study may enable the information concerning physiological interactions between A. mylitta and its endoparasitoid, X. pedator.}, doi = {10.1093/aesa/sax049}, author = {Gathalkar, Ganesh B. and Barsagade, Deepak D. and Sen, Avalokiteswar} } @article {43838, title = {Bronsted acid catalyzed enantioselective pericyclic reactions}, journal = {Tetrahedron}, volume = {73}, year = {2017}, month = {JUL}, pages = {4023-4038}, type = {Article}, abstract = {Pericyclic reactions can be challenging processes to render asymmetric, due to the concerted and non polar nature of the transition states. Several examples have been reported in which a suitable catalyst binds to a heteroatom-containing substituent in the substrate and accelerates the reaction rate. The requirement of coordinating functionalized substrates has limited the generality of such asymmetric transformations. Multifunctional Bronsted acids are promising catalysts that represent a new paradigm in asymmetric pericyclic reactions. These chiral catalysts rely on multiple non-covalent interactions in the transition state for asymmetric induction, which has been utilized to activate more general substrate classes. In this review, we will cover recent advances in Bronsted acid catalyzed pericyclic reactions and discuss the impact of catalyst design on the expansion of substrate scope for highly enantioselective processes. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tet.2017.02.059}, author = {Sleet, Christopher E. and Tambar, Uttam K. and Maity, Pradip} } @article {43848, title = {Calculation of the magnetic hyperfine structure constant of alkali metals and alkaline-earth-metal ions using the relativistic coupled-cluster method}, journal = {Physical Review A}, volume = {96}, year = {2017}, month = {JUL}, pages = {Article Number: 012510}, type = {Article}, abstract = {The Z-vector method in the relativistic coupled-cluster framework is used to calculate the magnetic hyperfine structure constant (A(J)) of alkali metals and singly charged alkaline earth metals in their ground state electronic configuration. The Z-vector results are in very good agreement with the experiment. The A(J) values of Li, Na, K, Rb, Cs, Be+, Mg+, Ca+, and Sr+ obtained in the Z-vector method are compared with the extended coupled-cluster results taken from Phys. Rev. A 91, 022512 (2015). The same basis and cutoff are used for the comparison purpose. The comparison shows that the Z-vector method with the single and double approximation can produce a more precise wave function in the nuclear region than the ECC method.}, doi = {10.1103/PhysRevA.96.012510}, author = {Sasmal, Sudip} } @article {43973, title = {Calixarene based nanocomposite materials for high performance supercapacitor electrode}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {JUL}, type = {Article}, abstract = {A functionalised calixarene {4-Sulphatocalix [6] arene Hydrate (SC6)} stabilises MoS2/partially reduced graphene oxide (rGO) nanosheet. Such stabilised SC6-rGO/SC6-MoS2 and SC6 doped polyaniline (PANI) together forms a nanocomposite hybrid material for supercapacitor electrode. It was fabricated by an in situ polymerization method. Transmission electron microscopy (TEM) results suggest that PANI nanostructures grow homogeneously onto the surfaces of SC6 functionalised MoS2. Calixarene acts as a dopant for PANI as well as a stabiliser for the 2D nanosheets of rGO/MoS2. The characterisation of composites together with basic components was done by using various techniques namely, solid-state FT-IRspectroscopy, X-ray photoelectron spectroscopy (XPS) and X-ray diffraction (XRD). The electrochemical performance was analysed by cyclic voltammetry (CV), galvanostatic charge/discharge and electrochemical impedance spectrometry (EIS). It was found that the SC6 functionalised MoS2 and SC6 doped PANI formed a uniform nanocomposite. The synthesised composites show high specific capacitance (691 F/g) and good cycling stability during the charge-discharge process when used as supercapacitor electrodes. The improvement in electrochemical performance of composites is assigned to synergistic effect of SC6 stabilised MoS2 and doped PANI. Our investigation highlighted the importance of use of calixarene in composites for above stated supercapacitor performance. The role of calixarene in the present study opens a way for the application of alike materials in the composite supercapacitors for energy storage applications.}, doi = {10.1039/C7NJ01125C}, author = {Waghmode, Babasaheb J. and Soni, Roby and Patil, Kashinath Rangu and Malkhede, Dipalee D.} } @article {44093, title = {Camptothecin-producing endophytic bacteria from pyrenacantha volubilis hook. (Icacinaceae): a possible role of a plasmid in the production of camptothecin}, journal = {Phytomedicine}, volume = {36}, year = {2017}, month = {DEC}, pages = {160-167}, type = {Article}, abstract = {Background: Camptothecin (CPT), a quinoline alkaloid, is a potent inhibitor of eukaryotic topoisomerase I. Because of this property, several derivatives of CPT are used as chemotherapeutic agents. CPT is produced by several plant species belonging to the Asterid clade as well as by a number of endophytic fungal associates of these plants. In this study, we report the production of CPT by four bacterial endophytes and show the possible role of a plasmid in the biosynthesis of CPT. Methods: Endophytic bacteria were isolated from leaves, stems and fruits of Pyrenacantha volubilis Hook. (Icacinanceae). The bacterial isolates were purified and analyzed for production of CPT by ESI-MS/MS and NMR analysis. Bacterial identity was established based on the morphology and 16s rRNA sequence analysis. Crude extracts of the bacterial endophytes were evaluated for their cytotoxicity using colon cancer cell lines. The role of plasmid in the production of CPT was studied by purging the plasmid, using acriflavine, as well as reconstituting the bacteria with the plasmid. Results: Four bacterial isolates, Bacillus sp. (KP125955 and KP125956), Bacillus subtilis (KY741853) and Bacillus amyloliquefaciens (KY741854) were found to produce CPT in culture. Both based on ESI-MS/MS and NMR analysis, the identity of CPT was found to be similar to that produced by the host plant. The CPT was biologically active as evident by its cytotoxicity against colon cancer cell line. The production of CPT by the endophyte (Bacillus subtilis, KY741853) attenuated with sub-culture. A likely role of a plasmid in the production of CPT was established. A 5 kbp plasmid was recovered from the bacteria. Bacterial isolate cured of plasmid failed to produce CPT. Conclusion: Our study implies a possible role of a plasmid in the production of CPT by the endophytic bacteria and opens up further work to unravel the exact mechanisms that might be involved.}, doi = {10.1016/j.phymed.2017.09.019}, author = {Soujanya, K. N. and Siva, R. and Kumara, P. Mohana and Srimany, Amitava and Ravikanth, G. and Mulani, F. A. and Aarthy, T. and Thulasiram, H. V. and Santhoshkumar, T. R. and Nataraja, Karaba N. and Shaanker, R. Uma} } @article {43340, title = {Carboxymethyl cellulose-grafted mesoporous silica hybrid nanogels for enhanced cellular uptake and release of curcumin}, journal = {Gels}, volume = {3}, year = {2017}, month = {FEB}, abstract = {

Mesoporous silica nanoparticles (MSNs) with ordered pore structure have beensynthesized and used as carriers for the anticancer drug curcumin. MSNs were functionalizedwith amine groups and further attached with carboxymethyl cellulose (CMC) using 1-ethyl-3-(3-dimethylaminopropyl)-carbodiimide (EDC) coupling chemistry, which increased the hydrophilicityand biocompatibility of MSNs. The functionalized MSNs (MSN-NH2and MSN-CMC) werecharacterized using Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM),Dynamic Light Scattering (DLS), N2adsorption, X-Ray Diffraction (XRD), Thermo GravimetricAnalysis (TGA) and Fourier Transform Infrared Spectroscopy (FT-IR). Thein vitrorelease of curcuminfrom the {\textendash}NH2and CMC functionalized MSNs (MSN-cur-NH2and MSN-cur-CMC) was performedin 0.5\% aqueous solution of sodium lauryl sulphate (SLS). The effect of CMC functionalization ofMSNs towards cellular uptake was studied in the human breast cancer cell line MDA-MB-231 andwas compared with that of MSN-NH2and free curcumin (cur). Both MSN-NH2and MSN-CMCshowed good biocompatibility with the breast cancer cell line. The MTT assay study revealedthat curcumin-loaded MSN-cur-CMC showed better uptake as compared to curcumin-loadedMSN-cur-NH2. Free curcumin was used as a control and was shown to have much less internalizationas compared to the curcumin-loaded functionalized MSNs due to poor bioavailability. Fluorescencemicroscopy was used to localize the fluorescent drug curcumin inside the cells. The workdemonstrates that CMC-functionalized MSNs can be used as potential carriers for loading and releaseof hydrophobic drugs that otherwise cannot be used effectively in their free form for cancer therapy.

}, doi = {10.3390/gels3010008}, author = {Tiwari, Neha and Nawale, Laxman U. and Sarkar, Dhiman and Badiger, Manohar V.} } @article {44147, title = {Cascade reductive etherification of bioderived aldehydes over Zr-based catalysts}, journal = {ChemSusChem}, volume = {10}, year = {2017}, month = {OCT}, pages = {4090-4101}, type = {Article}, abstract = {An efficient one-pot catalytic cascade sequence has been developed for the production of value-added ethers from bioderived aldehydes. Etherification of 5-(hydroxymethyl)furfural with different aliphatic alcohols over acidic Zr-montmorillonite (Zr-Mont) catalyst produced a mixture of 5-(alkoxymethyl)furfural and 2-(dialkoxymethyl)-5-(alkoxymethyl)furan. The latter was selectively converted back into 5-(alkoxymethyl)furfural by treating it with water over the same catalyst. The synthesis of 2,5-bis(alkoxymethyl)furan was achieved through a cascade sequence involving etherification, transfer hydrogenation, and re-etherification over a combination of acidic Zr-Mont and the charge-transfer hydrogenation catalyst [ZrO(OH)(2)]. This catalyst combination was further explored for the cascade conversion of 2-furfuraldehyde into 2-(alkoxymethyl)furan. The scope of this strategy was then extended for the reductive etherification of lignin-derived arylaldehydes to obtain the respective benzyl ethers in >80\% yield. Additionally, the mixture of Zr-Mont and ZrO(OH)(2) does not undergo mutual destruction, which was proved by recycling experiments and XRD analysis. Both the catalysts were thoroughly characterized using BET, temperature-programmed desorption of NH3 and CO2, pyridine-FTIR, XRD, inductively coupled plasma optical emission spectroscopy, and X-ray photoelectron spectroscopy techniques.}, doi = {10.1002/cssc.201701275}, author = {Shinde, Suhas and Rode, Chandrashekhar} } @article {43649, title = {Catalytic ozonation of clofibric acid over copper-based catalysts: in situ ATR-IR studies}, journal = {Applied Catalysis B-Environmental}, volume = {209}, year = {2017}, month = {JUL}, pages = {523-529}, abstract = {The current study describes the catalytic ozonation of clofibric acid (CFA) under ambient conditions using copper oxide catalysts synthesized by different methods. The objective of this study is to provide novel catalysts and reaction mechanism for the degradation of emerging pharmaceutical compounds in aqueous solution. Among the various Cu catalysts screened in this study, the Cut-Ali oxide catalyst showed an excellent activity and stability in the degradation and mineralization of CFA. In situ attenuated total reflection IR (ATR-IR) spectroscopy was used to examine the interaction of ozone with the active sites of the catalyst in presence of water and to investigate the possible catalytic mechanism. The presence of Lewis acid sites in the Cut-Ali catalyst increased the amount of chemisorbed water enhancing stronger interaction of ozone to form surface activated species, resulting in higher catalytic activity. The results obtained from in-situ ATR-IR study indicate that surface hydroxyl groups and Lewis acid sites are responsible for promoting the generation of hydroxyl radicals (OHS) from aqueous ozone. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apcatb.2017.02.071}, author = {Sable, Shailesh S. and Ghute, P. P. and Fakhrnasova, D. and Mane, R. B. and Rode, Chandrashekhar V. and Medina, F. and Contreras, S.} } @article {44148, title = {Cerium-based metal-organic framework having inherent oxidase-like activity applicable for colorimetric sensing of biothiols and aerobic oxidation of thiols}, journal = {Crystengcomm}, volume = {19}, year = {2017}, month = {OCT}, pages = {5915-5925}, type = {Article}, abstract = {A cerium-basedmetal-organic framework (MOF; 1) with a UiO-66 (UiO: University of Oslo) framework topology was synthesized solvothermally by employing 3,4-dimethylthieno[2,3-b] thiophene-2,5-dicarboxylic acid as a ligand. The MOF was thoroughly characterized by X-ray photoelectron spectroscopy (XPS), X-ray powder diffraction, infrared spectroscopy, and thermogravimetric and N-2 sorption analyses. The activated material (1{\textquoteright}) retained its structural integrity in water, acetic acid and 1 M HCl solution. XPS investigation reveals the presence of both Ce(III) and Ce(IV) ions in 1. Owing to the presence of mixed-valence cerium ions, 1{\textquoteright} was able to oxidize the chromogenic peroxidase substrate 3,3{\textquoteright}, 5,5{\textquoteright}-tetramethylbenzidine (TMB) or 2,2{\textquoteright}azinobis.3- ethylbenzothizoline-6-sulfonic acid) (AzBTS) in the absence of an external oxidizing agent. Thus, it showed inherent oxidase-like catalytic properties. Inspired by the excellent oxidase-mimicking activity of 1{\textquoteright}, a protocol was developed for the rapid colorimetric sensing of biothiols in NaAc buffer (0.2 M, pH = 4). The sensing ability of 1{\textquoteright} towards cysteine was also demonstrated in human blood plasma. Furthermore, the redox-active cerium ions enabled 1{\textquoteright} to exhibit excellent heterogeneous catalytic performance in aerobic oxidation catalysis of thiol compounds. The material is reusable (both as a sensor and as a catalyst), lowcost and highly stable, which renders it a promising candidate for the monitoring of biothiols in immunoassays and medical diagnosis as well as for industrial oxidation catalysis.}, doi = {10.1039/c7ce01053b}, author = {Dalapati, Rana and Sakthivel, Balasubramanian and Ghosalya, Manoj K. and Dhakshinamoorthy, Amarajothi and Biswas, Shyam} } @inbook {43964, title = {Chapter 5: Experimental and computational approaches to study membranes and lipid-protein interactions}, booktitle = {Computational biophysics of membrane proteins}, year = {2017}, pages = {137-160}, publisher = {Royal Society of Chemistry}, organization = {Royal Society of Chemistry}, chapter = {Experimental and computational approaches to study membranes and lipid-protein interactions}, abstract = {

Biological membranes are complex two-dimensional, non-covalent assemblies of a diverse variety of lipids and proteins. A hallmark of membrane organization is varying degrees of spatiotemporal heterogeneity spanning a wide range. Membrane proteins are implicated in a wide variety of cellular functions, and comprise \~{}30\% of the human proteome and \~{}50\% of the current drug targets. Their interactions with membrane lipids are recognized as crucial elements in their function. In this article, we provide an overview of experimental and theoretical approaches to analyze membrane organization, dynamics, and lipid-protein interactions. In this context, we highlight the wide range of time scales that membrane events span, and approaches that are suitable for a given time scale. We discuss representative fluorescence-based approaches (FRET and FRAP) that help to address questions on lipid-protein and protein-cytoskeleton interactions in membranes. In a complimentary fashion, we discuss computational methods, atomistic and coarse-grain, that are required to address a given membrane problem at an appropriate scale. We believe that the synthesis of knowledge gained from experimental and computational approaches will enable us to probe membrane organization, dynamics, and interactions at increasing spatiotemporal resolution, thereby providing a robust model for the membrane in health and disease.

}, doi = {10.1039/9781782626695-00137}, author = {Sengupta, Durba and Kumar, G. Aditya and Prasanna, Xavier and Chattopadhyay, A.} } @inbook {43968, title = {Characterizing clinically relevant natural variants of GPCRs using computational approaches}, booktitle = {Methods in cell biology}, year = {2017}, abstract = {

G protein-coupled receptors (GPCRs) are an important class of drug targets owing to their physiological role. A large number of clinically relevant single nucleotide polymorphisms (SNPs) have been observed in GPCRs that are linked to disease susceptibility and adverse drug response. It is therefore important to characterize the variants in order to improve GPCR therapeutics. Here, we discuss computational methods coupling molecular dynamics simulations with docking and free energy calculations to characterize the functional differences in GPCR variants. The hallmark of this approach is the explicit incorporation of receptor and membrane dynamics that allows us to analyze short- and long-range effects in the variant receptors. We use the SNPs reported in β2-adrenergic receptor (β2AR) as a test case and highlight the recent successes in analyzing structural and dynamic differences in a series of population variants. The computational approach we discuss here has a twofold benefit: it helps to unravel the molecular mechanisms underlying hypo- or hyperfunctionality of variant receptors as well as prioritizing novel variants that must be experimentally tested.

}, doi = {10.1016/bs.mcb.2017.07.013}, author = {Sengupta, Durba and Sonar, Krushna and Joshi, Manali} } @article {44175, title = {Chitosan intercalated metal organic gel as a green precursor of fe entrenched and fe distributed N-doped mesoporous graphitic carbon for oxygen reduction reaction}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {SEP}, pages = {8762-8770}, type = {Article}, abstract = {

Herein, we present Metal-Organic Gel intercalated with chitosan, a {\textquoteleft}green{\textquoteright}{\textquoteright} precursor for the synthesis of intrinsic N-doped Fe entrenched (CHI-TMA-Fe-CW) and Fe distributed mesoporous graphitic carbon structures (CHI-TMA-Fe-CW-M1) with appreciable Oxygen Reduction Reaction (ORR) activity in alkaline medium. Modulation of the synthetic protocol as a function of reaction kinetics and gelation time while maintaining identical pyrolysis conditions (900 degrees C, flowing N-2 atmosphere) improves the microstructure, surface area and Fe distribution of the graphitic structures (CHI-TMA-Fe-CW-M1). CHI-TMA-Fe-CW has a Fe entrenched graphitic nanocapsule like morphology while Fe distributed mesoporous graphitic carbon sheets, with a specific surface area value of 565 m(2) g(-1) obtained by modulating the synthesis chemistry in CHI-TMA-Fe-CW-M1. The higher percentage of graphitic N in CHI-TMA-Fe-CW-M1 apparent from the XPS data validate that the modified synthetic method favours creation of more graphitic N sites contributing for better catalytic performance. CHI-TMA-Fe-CW-M1 catalyst exhibited comparable electrocatalytic activity with that of the commercially available Pt/C via an efficient four-electron-dominant ORR pathway with a positive onset potential value of 0.925 V vs RHE. Good durability of CHI-TMA-Fe-CW-M1 after 5000 cycles further confirm the prospects of MOG-chitosan and the feasibility to be used as a potential catalyst for ORR.

}, keywords = {electrocatalyst, fuel cell, Metal-Organic-Gel, oxygen reduction reaction}, issn = {2365-6549}, doi = {10.1002/slct.201701416}, author = {Shijina, Kottarathil and Illathvalappil, Rajith and Kurungot, Sreekumar and Nair, Balagopal N. and Mohamed, A. Peer and Yamaguchi, Takeo and Anilkumar, Gopinathan M. and Hareesh, U. S. and Sailaja, G. S.} } @article {43502, title = {Cisplatin-induced self-assembly of graphene oxide sheets into spherical nanoparticles for damaging sub-cellular DNA}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JAN}, pages = {1409-1412}, abstract = {This report describes the hitherto unobserved cisplatin induced self-assembly of 2D-graphene oxide sheets into 3D-spherical nano-scale particles. These nanoparticles can encompass dual DNA damaging drugs simultaneously. A combination of confocal microscopy, gel electrophoresis and flow cytometry studies clearly demonstrated that these novel nanoparticles can internalize into cancer cells by endocytosis, localize into lysosomes, and damage DNA, leading to apoptosis. Cell viability assays indicated that these nanoparticles were more cytotoxic towards cancer cells compared to healthy cells.}, doi = {10.1039/c6cc09006k}, author = {Nandi, Aditi and Mallick, Abhik and More, Piyush and Sengupta, Poulomi and Ballav, Nirmalya and Basu, Sudipta} } @article {43781, title = {Click-chemistry-based multicomponent condensation approach for design and synthesis of spirochromene-tethered 1,2,3-triazoles as potential antitubercular agents}, journal = {Research on Chemical Intermediates}, volume = {43}, year = {2017}, month = {OCT}, pages = {5675-5690}, type = {Article}, doi = {10.1007/s11164-017-2955-y}, author = {Chavan, Pramod V. and Pandit, Kapil S. and Desai, Uday V. and Wadgaonkar, Prakash P. and Nawale, Laxman and Bhansali, Sujit and Sarkar, Dhiman} } @article {44173, title = {Clues from crystal structures pave the way to access chiral myo-inositol derived versatile synthons: resolution of racemic 4-o-allyl-myo-inositol-1,3,5-orthoesters via corresponding dicamphanates by crystallization}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {OCT}, pages = {5432-5440}, type = {Article}, abstract = {Racemic 4-O-allyl-myo-inositol-1,3,5-orthoesters were resolved as the corresponding diastereomeric dicamphanates by crystallization from alcoholic solvents. Crystals of the two diastereomers of myo-inositol orthoacetate and one diastereomer each of myo-inositol orthoformate and myo-inositol orthobenzoate were obtained in \>99\% purity, on gram scale. The configuration of all these diastereomers was established by conversion to known chiral myo-inositol derivatives as well as by single crystal structure analysis. It is interesting to note that the procedures for the separation of diastereomeric myo-inositol orthoesters could be evolved due to the knowledge of crystal growth and crystal structures of inositol derivatives of comparable molecular structures. Due to the synthetic versatility of myo-inositol orthoesters, the methods described provide rapid and convenient access to a variety of chiral inositol derivatives with high synthetic potential.}, issn = {1528-7483}, doi = {10.1021/acs.cgd.7b00895}, author = {Patil, Nivedita T. and Shashidhar, Mysore S. and Tamboli, Majid I. and Gonnade, Rajesh G.} } @article {45701, title = {Co-catalytic metal oxide nanoparticles decorated silicon/hematite core shell nanowire arrays as efficient photo electrodes for water splitting}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {MAR }, pages = {2544-2551}, type = {Article}, abstract = {

By looking global energy demands, development of highly efficient stable semiconductor photoelectrodes for photoelectrochemical (PEC) water splitting is highly desirable. Herein, we have fabricated co-catalytic nanoparticles decorated Silicon nanowire (SiNWs)/Hematite(Fe2O3) core sell structures as photo anodes and studied the PEC water oxidation properties. As, Fe2O3 possess weak oxidation kinetics, decoration of NiO and Co3O4 nanoparticles on SiNW/Fe2O3 by hydrothermal method, which acts as co-catalysts to improves the water oxidation reactions. It was found that decoration of Co3O4 nanoparticles enhances the photocurrent up to 2.6 times, whereas for NiO nanoparticles improvement is of 1.5 times when compared to the undecorated electrodes. Along with enhancement of photocurrents, it also shows shift of onset potentials. The effect of the co-catalytic nanoparticles on the enhancement of photocurrent and charge transfer resistance at the interface of electrode-electrolyte have been studied by electrochemical impedance spectroscopy. Further, flat band potentials of the photo electrodes have been measured by using Mott-schottky analysis.

}, keywords = {Co-catalysts, photo anodes, Photoelectrochemical cell, silicon nanowires, water splitting}, issn = {2365-6549}, doi = {10.1002/slct.201700083}, author = {Devarapalli, Rami Reddy and Kamaja, Chaitanya Krishna and Shelke, Manjusha V.} } @article {44400, title = {Colloidal nanocomposite of TiN and N-doped few-layer graphene for plasmonics and electrocatalysis}, journal = {ACS Energy Letters}, volume = {2}, year = {2017}, month = {OCT}, pages = {2251-2256}, abstract = {

A combination of high carrier density, high surface area, solution processability, and low cost is desired in a material for electrocatalytic applications, including H-2 evolution and a counter electrode of a solar cell. Also, plasmonic-based applications in biological systems can be derived from such material. In this regard, a colloidal nanocomposite of TiN and N-doped few-layer graphene (TiN NFG) is synthesized from molecular precursors. TiN nano crystals (NCs) provide free electrons for electrical conductivity and plasmonics, whereas NFG is responsible for charge transport, high surface area, and colloidal stability. Colloidal TiN NFG nano composites exhibit a localized surface plasmon resonance band at around 700 nm. Coatings of the nanocomposite form a counter electrode for efficient (8.9\%) dye-sensitized solar cells. Furthermore, the nanocomposite acts as an efficient electrocatalyst for hydrogen evolution reaction, exhibiting an overpotential similar to 161 mV at a current density of 10 mA/cm(2).

}, doi = {10.1021/acsenergylett.7b00741}, author = {Shanker, G. Shiva and Markad, Ganesh B. and Jagadeeswararao, Metikoti and Bansode, Umesh and Nag, Angshuman} } @article {43931, title = {Computational strategies to explore antimalarial thiazine alkaloid lead compounds based on an australian marine sponge plakortis lita}, journal = {Journal of biomolecular Structure \& Dynamics}, volume = {35}, year = {2017}, month = {AUG}, pages = {2407-2429}, type = {Article}, abstract = {In this work, an attempt was made to propose new leads based on the natural scaffold Thiaplakortone-A active against malaria. The 2D QSAR studies suggested that three descriptors correlate with the anti-malarial activity with an R2 value of 0.814. Robustness, reliability and predictive power of the model were tested by internal validation, external validation, Y-scrambling and Applicability domain analysis. HQSAR studies were carried out as an additional tool to find the sub-structural fingerprints. The CoMFA and CoMSIA models gave Q2 values of 0.813 and 0.647, and R2ncv values of 0.994 and 0.984, respectively. Using the 2D-QSAR equation, the activity values of the seven modified compounds were calculated and it was found that three molecules showed good anti-malarial activity. Molecular docking of the 42 Thiaplakortone-A derivatives with P. falciparum calcium-dependent protein kinase 1 (PfCDPK1) was carried out to find out protein-ligand interactions. Data mining of the bioassay dataset AID: 504850 using the classifier based on Random Forest (RF) of Weka suggested that all of the eight molecules selected and three out of the seven virtual molecules were anti-malarial active. Both the virtual molecules and drug molecules were docked with CYP3A4, indicating that the virtual molecules could metabolize easily. Toxicity studies using Osiris shows that three molecules showed no toxic characters.}, doi = {10.1080/07391102.2016.1220870}, author = {Lilly, Aswathy and Jisha, R. S. and Masand, Vijay H. and Gajbhiye, Jayant M. and Shibi, Indira G.} } @article {43484, title = {Concise enantioselective synthesis of 1,4-dideoxy-1,4-imino-D-arabinitol using Co(III)(salen)-catalyzed hydrolytic kinetic resolution of a two-stereocentered anti-azido epoxide}, journal = {Tetrahedron-Asymmetry}, volume = {28}, year = {2017}, month = {JAN}, pages = {162-165}, abstract = {A concise enantioselective synthesis of 1,4-dideoxy-1,4-imino-D-arabinitol, (+)-DAB-1, has been described in good overall yield (18.1\%) and with high enantiomeric purity (up to 98\% ee) starting from a simple raw material, cis-2-butene-1,4-diol. The Co-catalyzed hydrolytic kinetic resolution of a two-stereocentered racemic azido epoxide followed by asymmetric dihydroxylation of the alkene and {\textquoteright}one pot{\textquoteright} reductive cyclisation of the azido diol are key reactions in the synthetic sequence. (C) 2016 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetasy.2016.10.013}, author = {Reddi, Rambabu N. and Prasad, Pragati K. and Kalshetti, Rupali G. and Sudalai, Arumugam} } @article {45744, title = {Concurrent synthesis of SnO/SnO2 nanocomposites and their enhanced photocatalytic activity}, journal = {Journal of Solid State Electrochemistry}, volume = {21}, year = {2017}, month = {JAN}, pages = {9-17}, type = {Article}, abstract = {

The SnO/SnO2 nanocomposites were synthesized using semisolvothermal reaction technique. These nanocomposites were prepared using different combination of solvents viz., ethanol, water, and ethylene glycol at 180 A degrees C for 24 h. The synthesized nanocomposites were analyzed with various characterization techniques. Structural analysis indicates the formation of tetragonal phase of SnO2 for the sample prepared in ethanol, whereas for other solvent combinations, the mixture of SnO and SnO2 having tetragonal crystal structures were observed. The optical study shows enhanced absorbance in the visible region for all the prepared SnO/SnO2 nanocomposites. The observed band gap was found to be in the range of 3.0 to 3.25 eV. Microstructural determinations confirm the formation of nanostructures having spherical as well as rod-like morphology. The size of nanoparticles in ethanol-mediated solvent was found to be in the range of 5 to 7 nm. Thermogravimetric analysis indicate the weight gain around 1.3 wt\% confirming the conversion of SnO to SnO2 material. The photocatalytic activity of synthesized nanocomposites was evaluated by following the aqueous methylene blue (MB) degradation. The sample prepared in ethylene glycol-mediated solvent showed highest photoactivity having apparent rate constant (K-app) 0.62 x 10(-2) min(-1).

}, keywords = {Dye-degradation, Nanocomposite, Photocatalysis, tin oxide}, issn = {1432-8488}, doi = {10.1007/s10008-016-3328-y}, author = {Roy, Animesh and Arbuj, Sudhir and Waghadkar, Yogesh and Shinde, Manish and Umarji, Govind and Rane, Sunit and Patil, Kashinath and Gosavi, Suresh and Chauhan, Ratna} } @article {43519, title = {Conformational and functional transitions and in silico analysis of a serine protease from conidiobolus brefeldianus (MTCC 5185)}, journal = {International Journal of Biological Macromolecules}, volume = {98}, year = {2017}, month = {MAY}, pages = {387-397}, abstract = {This work describes functional and structural transitions of a novel protease isolated from Conidiobolus brefeldianus MTCC 5185 (Cprot), in detail using biophysical and bioinformatics tools. The commercial importance of Cprot in silk and leather industries made it an interesting candidate for structural investigations. Cprot possesses 8.2\%alpha-helix, 31.1\% beta-sheet and 23.8\% turns. The enzyme was found to be active over a wide pH range and up to 55 degrees C. The protease was also stable in organic solvents up to 50\% (v/v) concentration of alcohols and DMSO for >24 h and in 2 M guanidine hydrochloride for >12 h. Cprot was also resistant to trypsin, chymotrypsin, proteinase K and fluorinated alcohols (5-10\%). The melting temperatures observed for the native Cprot and for the enzyme treated under various stress conditions correlated well with the corresponding structural and functional transitions obtained. The structural information was supported by the homology model of its closest homologue from C. coronatus; revealing its similarity to PA clan of proteases (Proteases of mixed nucleophile, superfamily A), with His-64, Asp-113 and Ser-208 as putative catalytic triad. Three tryptophan residues in Cprot are surrounded by positively charged residues, as evident from solute quenching studies and homology model. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.ijbiomac.2017.01.124}, author = {Shukla, Ekta and Agrawal, Sanskruthi B. and Gaikwad, Sushama M.} } @article {45661, title = {Constructing ultraporous covalent organic fameworks in seconds via an organic terracotta process}, journal = {Journal of the American Chemical Society }, volume = {139}, year = {2017}, month = {FEB}, pages = {1856-1862}, type = {Article}, abstract = {

Research on covalent organic frameworks (COFs) has recently gathered significant momentum by the virtue of their predictive design, controllable porosity, and long-range ordering. However, the lack of solvent-free and easy-to-perform synthesis processes appears to be the bottleneck toward their greener fabrication, thereby limiting their possible potential applications. To alleviate such shortcomings, we demonstrate a simple route toward the rapid synthesis of highly crystalline and ultraporous COFs in seconds using a novel salt-mediated crystallization approach. A high degree of synthetic control in interlayer stacking and layer planarity renders an ordered network with a surface area as high as 3000 m(2) g-(1). Further, this approach has been extrapolated for the continuous synthesis of COFs by means of a twin screw extruder and in situ processes of COFs into different shapes mimicking the ancient terracotta process. Finally, the regular COF beads are shown to outperform the leading zeolites in water sorption performance, with notably facile regeneration ability and structural integrity.

}, issn = {0002-7863}, doi = {10.1021/jacs.6b08815}, author = {Karak, S. and Kandambeth, S. and Biswal, B. P. and Sasmal, H. S. and Kumar, S. and Pachfule, P. and Banerjee, R.} } @article {43566, title = {Continuous flow telescopic oxidation of alcohols via generation of chlorine and hypochlorite}, journal = {Reaction Chemistry \& Engineering}, year = {2017}, month = {MAR}, abstract = {A 3-step continuous flow oxidation of alcohols is demonstrated with continuous generation of chlorine as the first step followed by its use for the flow synthesis of high strength sodium hypochlorite. The solution is subsequently used for oxidation of alcohols in the presence of a catalytic amount of the nitroxyl radical {\textquotedblleft}TEMPO{\textquotedblright}, which inhibits oxidation at the aldehyde stage. Selective oxidations of eight different alcohols were demonstrated. To achieve identical yields, the aromatic alcohols containing electron withdrawing groups needed a longer residence time than aliphatic alcohols.}, doi = {10.1039/C6RE00225K}, author = {Sharma, Y. and Moolya, S. and Joshi, Ramesh A. and Kulkarni, Amol A.} } @book {45779, title = {Control of polymerization reactors}, year = {2017}, pages = {1-355}, publisher = {CRC Press}, organization = {CRC Press}, edition = {1st}, address = {New York }, abstract = {

This reference and text provides an in-depth description of developments in control techniques and their application to polymerization reactors and offers important introductory background information on polymerization reaction engineering.;Discussing modelling, identification, linear, nonlinear and multivariable schemes, Control of Polymerization Reactors: presents all available techniques that can be used to control reactors properly for optimal performance; shows how to manipulate pivotal variables that affect reactor control; examines methods for deriving dynamic process models to improve reactor efficiency; reviews reactor control problems and points out end-use properties; supplies methods for measuring process variables, and ways to estimate variables that can{\textquoteright}t be measured; and explains how single-input, single-output (SISO) strategies can be effectively used for control.;Filled with illustrative examples to clarify concepts, including more than 730 figures, tables and equations, Control of Polymerization Reactors is intended for use as a reference for chemical, process development, process design, research and development, control systems, and polymer engineers; and polymer chemists and physicists; as well as a text for upper-level undergraduate and graduate students in polymerization reactor control courses.

}, isbn = {978-082479043-1}, doi = {10.1201/9781315140322}, author = {Schurk, F. J and Deshpande, P. B and Leffew, K. W. and Nadkarni, V. M.} } @article {43561, title = {Controlling necking in extrusion film casting using polymer nanocomposites}, journal = {Journal of Macromolecular Science Part B-Physics}, volume = {56}, year = {2017}, month = {FEB}, pages = {213-233}, abstract = {The research described was concerned with the effect of layered-silicate-based organically modified nanoclay fillers on controlling the extent of necking in a polymer melt extrusion film casting (EFC) process. We show that a linear polythylene resin (such as a linear low-density polyethylene-LLDPE) filled with a very low percentage of well-dispersed (or intercalated) nanoclay displays an enhanced resistance to the necking phenomenon. In general, melt-compounded nanoclay-filled LLDPE resin formulations displayed a higher final film width (less necking), thus a lower final film thickness (greater draw down for the same draw ratio), and cooled down faster when compared to the base LLDPE resin. Incorporation of nanoclay filler in the mainly linear chain LLDPE resin led to significant modification of the melt rheological properties that, in turn, affected the melt processability of these formulations. Primarily, the intercalated nanoclay-filled LLDPE formulations displayed the presence of strain-hardening in unaxial extensional rheology. Additionally, the presence of well-dispersed nanoclay in the LLDPE resin led to a display of prominent extrudate swell indicating the presence of melt elasticity in such formulations. The presence of melt elasticity, as shown by shear rheology and strain-hardening, observed by uniaxial extensional rheology, contributed to the LLDPE nanoclay formulations displaying an enhanced resistance to necking for these films. It can be concluded that linear chain polymers susceptible to necking in an EFC process can be made more resistant to such necking by using nanoclay fillers at very low levels of loading.}, doi = {10.1080/00222348.2017.1289797}, author = {Rokade, Dhammaraj and Azad, Lal B. and Poddar, Suparna and Mishra, Satyendra and Pol, Harshawardhan V. and Shukla, Rishab} } @article {43929, title = {Convenient new and efficient commercial synthetic route for dasatinib (sprycel{\textregistered})}, journal = {Synthetic Communications}, volume = {47}, year = {2017}, month = {JUN}, pages = {1610-1621}, type = {Article}, abstract = {A new and efficient synthetic route for dual Src/Abl kinase inhibitor Dasatinib (Sprycel{\textregistered}), an anticancer drug, is described. This commercially viable process yields Dasatinib monohydrate free of potential impurities with consistent yield of 68\% in route A and 61\% in route B with HPLC purity >99.80\% over 4 stages.}, doi = {10.1080/00397911.2017.1337150}, author = {Suresh, Garbapu and Nadh, Ratnakaram Venkata and Srinivasu, Navuluri and Yennity, Durgaprasad} } @article {45738, title = {Convenient route for Au@Ti-SiO2 nanocatalyst synthesis and its application for room temperature CO oxidation}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {MAR }, pages = {4946-4957}, type = {Article}, abstract = {

Small gold nanoparticles.of size less than 5 nm encapsulated inside titanium modified silica shell have been reported. Here, a modified sol-gel method, which is a one-step process, produces Au@Ti-SiO2 nanocatalyst with a good control of titanium loading. With a titanium loading of 0.9 and 2.2 wt \% in silica, unprecedented low temperature activity (full conversion) is observed for this catalyst for CO oxidation reaction compared to Au@SiO2 catalyst. A combination of optimum sized gold nanoparticles with a large amount of oxygen vacancies created due to Ti incorporation in silica matrix is considered to be the reason for this enhanced catalytic activity. The size of.gold nanoparticles is maintained even after high temperature pretreatments, which show the benefit of encapsulation. The effect of the various pretreatments on the catalytic activity has also been reported.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.6b10202}, author = {Soni, Yogita and Kumar, Anumol Erumpukuthical Ashok and Nayak, Chandrani and Deepak, Francis Leonard and Vinod, C. P.} } @article {45686, title = {Copper oxide supported on three-dimensional ammonia-doped porous reduced graphene oxide prepared through electrophoretic deposition for non-enzymatic glucose sensing}, journal = {Electrochimica Acta}, volume = {224}, year = {2017}, month = {JAN}, pages = {346-354}, type = {Article}, abstract = {The paper reports on the preparation of N-doped porous reduced graphene oxide/copper oxide (ammonia-doped-prGO/CuO) nanocomposite on gold electrodes using electrophoretic deposition (EPD) from an ethanolic suspension of ammonia-doped-prGO and Cu(ClO4)(2) by applying a DC voltage. The ammonia-doped-prGO/CuO nanocomposite film thickness is controlled by varying the deposition time. Morphological analysis using scanning electron microscopy (SEM) showed the formation of a 3 dimensional structure with CuO nanoparticles being homogeneously embedded in the graphene layer. Xray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and Raman analysis revealed that the deposited copper was in its oxidized form, mainly CuO. The Au/ammonia-doped-prGO/CuO electrode was successfully applied for non-enzymatic amperometric detection of glucose. Under optimized conditions, the electrode exhibited a sensitivity of 1210 mu mM(-1) cm(-2) with a detection limit of 0.25 p,M (S/N =3) over a wide concentration range (0.25 mu M to 6 mM) at an applied potential of +0.50 V vs. Ag/AgCl. The electrode material displayed good stability, excellent selectivity, and accurate measurement in healthy and diabetic human serum samples. }, doi = {10.1016/j.electacta.2016.12.078}, author = {Maaoui, H. and Singh, S. K. and Teodorescu, F. and Coffinier, Y. and Barras, A. and Chtourou, R. and Kurungot, S. and Szunerits, S. and Boukherroub, R.} } @article {43880, title = {Coumarin-appended stable fluorescent self-complementary quadruple-hydrogen-bonded molecular duplexes}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {JUN}, pages = {6403-6408}, type = {Article}, abstract = {In this paper we report a coumarin-conjugated self-assembling system adorned with valuable features such as high duplex stability and a built-in fluorophore, which would augment its application potential. This system forms a highly :stalik molecular duplex in a nonpolar solvent (K-dim > 1.9 X 10(7) M-1 in CDCl3). Due to the fluorescent property of coumarin, these new structural motifs may find potential application in material chemistry and supramolecular chemistry.}, doi = {10.1021/acs.joc.7b01249}, author = {Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Shinde, Dinesh R. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {45768, title = {Crystallisation-enhanced bulk hole mobility in phenothiazine-based organic semiconductors}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {APR }, pages = {46268}, type = {Article}, abstract = {

A series of three novel donor-acceptor systems based on C(3)-malononitrile-substituted phenothiazines was synthesised in good overall yields and their thermal, spectroscopic, and electrochemical properties were characterised. The compounds were prepared through a sequence of Ullmann-coupling, Vilsmeier-Haack formylation and Knoevenagel-condensation, followed by Suzuki-coupling reactions for introduction of aryl substitutents at C(7) position of the phenothiazine. The introduction of a donor unit at the C(7) position exhibited a weak impact on the optical and electrochemical characteristics of the compounds and led to amorphous films with bulk hole mobilities in the typical range reported for phenothiazines, despite the higher charge delocalisation as attested by computational studies. In contrast, highly ordered films were formed when using the C(7)-unsubstituted 3-malononitrile phenothiazine, exhibiting an outstanding mobility of 1 x 10(-3) cm(2) V-1 s(-1), the highest reported for this class of compounds. Computational conformational analysis of the new phenothizanes suggested that free rotation of the substitutents at the C(7) position suppresses the ordering of the system, thereby hampering suitable packing of the new materials needed for high charge carrier mobility.

}, issn = {2045-2322}, doi = {10.1038/srep46268}, author = {Shinde, D. B. and Salunke, Jagadish K. and Candeias, Nuno R. and Tinti, Francesca and Gazzano, Massimo and Wadgaonkar, P. P. and Priimagi, Arri and Camaioni, Nadia and Vivo, Paola} } @article {43862, title = {C(sp(3))-F, C(sp(2))-F and C(sp(3))-H bond activation at silicon(II) centers}, journal = {Chemical Communication}, volume = {53}, year = {2017}, month = {SEP}, chapter = {9850-9853}, abstract = {

Silylene [PhC(NtBu)(2)SiN(SiMe3)(2)] (1) cleaves the C(sp(3))-H and C-F bonds of acetophenone and 1,1,1-trifluoroacetophenone, respectively, under mild conditions. The reaction is initiated via a nucleophilic attack from the oxygen to the silicon atom followed by C-F/H bond cleavage. The scope of C-F bond activation has further been extended with C6F6 and C6F5CF3.

}, keywords = {Boron triple bond, C-F Bond, Fluorinated Building-Block, H Activation, Ketones, N-heterocyclic carbenes, Oxodative Addition, Perfluorinated Arenes, Selective Activation, Transition-Metal Centers}, issn = {1359-7345}, doi = {10.1039/c7cc05145j}, author = {Swamy, V. S. V. S. N. and Parvin, Nasrina and Raj, K. Vipin and Sen, Sakya S.} } @article {44003, title = {CuCo2O4 nanowall morphology as Li-ion battery anode: Enhancing electrochemical performance through stoichiometry control}, journal = {Materials Research Bulletin}, volume = {90}, year = {2017}, month = {JUN}, pages = {303-310}, type = {Article}, abstract = {

We have employed template-free synthesis of CuCo2O4 (CCO) system to achieve unique ultrathin porous nanowall type morphology, and evaluated for Li-Ion battery anode application. We observe that under the hydrothermal growth a starting stoichiometric mixture of cationic precursor{\textquoteright}s leads to a bi-phasic constitution comprising of defect-spinel CCO and a small quantity of CuO. Use of the excess but optimum cobalt in the precursor mix leads to single phase defect-spinel. We have carefully examined the implications of off-stoichiometry for different cases of interest (including the case of Cu-excess) for morphology, microstructure, the physical/electrochemical properties, and the evolution of the Li-ion battery anode under cycling for different active materials loading. In case of optimum Cu excess based CCO renders an impressive performance as Li-ion battery anode with high rate performance, 836 mAh g-1 and 757 mAh g-1 at 1.25C and 2.5C, respectively, and good cycling stability. {\textcopyright} 2016 Elsevier Ltd

}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2016.12.014}, author = {Bhardwaj, M. and Suryawanshi, A. and Fernandes, R. and Tonda, S. and Banerjee, A. and Kothari, D. and Ogale, S.} } @article {45763, title = {Cyclization mechanism of phomopsene synthase: mass spectrometry based analysis of various site-specifically labeled terpenes}, journal = {Journal of Antibiotics}, volume = {70}, year = {2017}, month = {MAY}, pages = {632-638}, type = {Article}, abstract = {

Elucidation of the cyclization mechanism catalyzed by terpene synthases is important for the rational engineering of terpene cyclases. We developed a chemoenzymatic method for the synthesis of systematically deuterium-labeled geranylgeranyl diphosphate ( GGPP), starting from site-specifically deuterium-labeled isopentenyl diphosphates (IPPs) using IPP isomerase and three prenyltransferases. We examined the cyclization mechanism of tetracyclic diterpene phomopsene with phomopsene synthase. A detailed EI-MS analysis of phomopsene labeled at various positions allowed us to propose the structures corresponding to the most intense peaks, and thus elucidate a cyclization mechanism involving double 1,2-alkyl shifts and a 1,2-hydride shift via a dolabelladien-15-yl cation. Our study demonstrated that this newly developed method is highly sensitive and provides sufficient information for a reliable assignment of the structures of fragmented ions.

}, issn = {0021-8820}, doi = {10.1038/ja.2017.27}, author = {Shinde, Sandip S. and Minami, Atsushi and Chen, Zhi and Tokiwano, Tetsuo and Toyomasu, Tomonobu and Kato, Nobuo and Sassa, Takeshi and Oikawa, Hideaki} } @article {44002, title = {Deciphering structural stability and binding mechanisms of potential antagonists with smoothened protein}, journal = {Journal of Biomolecular Structure and Dynamics}, year = {2017}, month = {SEP}, pages = {1-21}, type = {Article in Press}, abstract = {Identification of new potential inhibitors against Hedgehog pathway activator protein Smoothened (SMO) is considered to be of higher importance to improvise the future cancer therapeutics. Different SMO inhibitors/drugs (e.g. Cyclopamine, Vismodegib, Taladegib) used till date are found to be associated with several drug-related resistivity and toxicity. To explore the ability of new drug/inhibitor molecules, which can show better/similar binding and dynamic stability as compared to known inhibitors, virtual screening against SMO is performed followed by the comparative docking and molecular dynamic studies. {\textquoteleft}ZINC12368305{\textquoteright} is found to be the best molecule among the entire data-set, as it shows the highest binding affinity and stable conformations. Here, an integrative approach using Dynamic Graph Theory is introduced to gain the molecular insights of the structural integrity of these protein complexes at the residue level by analyzing the corresponding Protein Contact Networks along the Molecular Dynamics trajectories. The study further focuses to understand the detailed binding mechanisms of available inhibitor/drug molecules along with the newly predicted molecule. It is observed that a unique big cluster of low fluctuating residues at the vicinity of the drug binding pocket of the SMO in ZINC12368305-bound complex is present and driving it toward a more stable region. A close inspection on this site reveals the presence of a stable Pi{\textendash}Pi interaction between the pyrazole group-associated phenanthrene ring of ZINC12368305 and aromatic ring of Phe484 of SMO, which could be the potential factor of ZINC12368305 to create a more stable complex with SMO as compared to the other inhibitors.}, keywords = {inhibitors, Pi{\textendash}Pi Interaction, Smoothened Protein, Structural stability}, doi = {10.1080/07391102.2017.1372310}, author = {Sinha, N.}, editor = {Chowdhury, S.} } @inbook {45805, title = {Defluoridation of drinking water using fe-al mixed metal hydroxides}, booktitle = { Novel Water Treatment and Separation Methods: Simulation of Chemical Processes}, year = {2017}, pages = {77-100}, edition = {1st}, chapter = {Defluoridation of drinking water using fe-al mixed metal hydroxides}, abstract = {In this chapter, we report findings from study carried out on removal of fluoride from drinking or potable water using Fe-Al mixed metal hydroxides. For experimental analysis, the product mixed Fe-Al hydroxides was prepared by applying a co-precipitation method. The resulting metal hydroxide was thoroughly characterized using analytical tests of X-ray diffraction (XRD), scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) surface area analysis. In order to characterize the equilibrium behavior of adsorbent, we study experimentally the effects of different operating parameters. The selected parameters for analysis are adsorbent loading, initial fluoride concentration, pH of the solution, and interfering ions (usually present in groundwater). The equilibrium adsorption data was later fitted for Langmuir adsorption isotherm, and experimental observations show a maximum fluoride adsorption capacity of 2.05 mg.g-1. The experimental results reveal that the adsorption dynamics follows a pseudo-second-order kinetic model.}, isbn = {978-177188578-2}, doi = {10.1201/9781315225395}, author = {Telang, T. and Deosarkar, M.P. and Shetty, R. and Kamble, S.P.} } @article {43791, title = {On demand electrochemical release of drugs from porous reduced graphene oxide modified flexible electrodes}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {AUG}, pages = {6557-6565}, type = {Article}, abstract = {Despite the advantages of an electrochemical control for drug release, only a handful of electrochemical-based release systems have been developed so far. We report herein on the development of an electrochemically activatable platform for on-demand delivery of drugs. It is based on flexible gold thin film electrodes coated with porous reduced graphene oxide (prGO) nanosheets onto which the drug of interest has been integrated beforehand. Two different drugs are investigated here: ondansetron hydrochloride (ODS), a selective 5-HT3 receptor antagonist used for preventing nausea and vomiting caused by chemotherapy and radiotherapy, and ampicillin (AMP), an antibiotic to prevent and treat a number of bacterial infections such as respiratory tract infections, urinary tract infections, and meningitis. In the case of ODS, application of a negative potential bias of -0.8 V results in a sustained slow ODS release with an ODS flux of 47 mu g cm(-2) h(-1). In the case of AMP, we show that polyethyleneimine modified prGO (prGO/PEI) is an extremely efficient matrix. Upon the application of +0.8 V, 24\% of AMP could be released from the electrical interface in a time span of 2 h. The released AMP kept its antibacterial activity as demonstrated by antimicrobial tests. These examples illustrate the major benefits of the developed approach for biomedical applications.}, doi = {10.1039/c7tb00687j}, author = {Boulahneche, Samia and Jijie, Roxana and Barras, Alexandre and Chekin, Fereshteh and Singh, Santosh K. and Bouckaert, Julie and Medjram, Mohamed Salah and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {43829, title = {Deployment of underground coal gasification in India}, journal = {Current Science}, volume = {113}, year = {2017}, month = {JUL}, pages = {218-227}, type = {Article}, doi = {10.18520/cs/v113/i02/218-227}, author = {Singan, Akshay and Ranade, Vivek V.} } @article {43854, title = {Description of Lysinibacillus telephonicus sp nov., isolated from the screen of a cellular phone}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {67}, year = {2017}, month = {JUL}, pages = {2289-2295}, type = {Article}, abstract = {A novel bacterial strain, designate dS5H2222(T), was isolated form the screen of a cellular phone. The cells were Gram-stainpositive, rod-shaped, aerobic and motile, and endospores are formed. S5H2222(T) grew as pale white colonies on trypticase soy agar and the best growth was observed at 37 degrees C (10- 55 degrees C) and at pH 7.0 (5.0-9.0). S5H2222(T) could tolerate up to 10\% (w/v) NaCl. Phylogenetic analysis based on 16S rRNA gene sequences placed this strain within the genus Lysinibacillus and it exhibited high 16S rRNA gene sequence similarity to Lysinibacillus halotolerans LAM612(T) (97.8 \%), Lysinibacillus chungkukjangi2RL3-2(T) (97.4 \%) and Lysinibacillus sinduriensis BLB-1(T) (97.2 \%). TheDNA- DNA relatedness of the strain with L. halotolerans JCM 19611(T), L. chungkukjangi KACC 16626(T) and L. sinduriensis KACC 16611(T) was 57, 64 and 55\% respectively. The genomic DNA G+C content was 39.8 mol\%. The major fatty acids of S5H2222(T) were iso-C-15:0, anteiso-C-15:0, iso-C-16:0 and anteiso-C-17:0. MK-7 was the only menaquinone and the main polar lipids were diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine, four unidentified polar lipids were also present. The diagnostic amino acids in the cell wall peptidoglycan contained Lys-Asp (type A4 alpha). On the basis of the results of the phenotypic and genotypic characterizations, it was concluded that S5H2222(T) represents a novel species of the genus Lysinibacillus, for which the name Lysinibacillus telephonicus sp. nov. is proposed. The type strain is S5H2222(T) (=MCC 3065 T =KACC 18714(T)=LMG 29294(T)).}, doi = {10.1099/ijsem.0.001943}, author = {Rahi, Praveen and Kurli, Rashmi and Khairnar, Mitesh and Jagtap, Shubhangi and Pansare, Aabeejjeet N. and Dastager, Syed G. and Shouche, Yogesh S.} } @article {43845, title = {Determination of onset temperature from the entropy for fragile to strong liquids}, journal = {Journal of Chemical Physics}, volume = {147}, year = {2017}, month = {JUL}, pages = {Article Number: 024504}, type = {Article}, abstract = {

In this paper, we establish a connection between the onset temperature of glassy dynamics with the change in the entropy for a wide range of model systems. We identify the crossing temperature of pair and excess entropies as the onset temperature. Below the onset temperature, the residual multiparticle entropy, the difference between excess and pair entropies, becomes positive. The positive entropy can be viewed as equivalent to the larger phase space exploration of the system. The new method of onset temperature prediction from entropy is less ambiguous, as it does not depend on any fitting parameter like the existing methods. Published by AIP Publishing.

}, doi = {10.1063/1.4991848}, author = {Banerjee, Atreyee and Nandi, Manoj Kumar and Sastry, Srikanth and Bhattacharyya, Sarika Maitra} } @article {43473, title = {Determination of the absolute configuration of gliomasolide D through total syntheses of the C-17 epimers}, journal = {Journal of Natural Products}, volume = {80}, year = {2017}, month = {FEB}, pages = {560-564}, abstract = {The absolute configuration at C-17, the carbon bearing the distal hydroxy group of the 14-membered natural product gliomasolide D, was assigned as R by comparison of C-13 NMR shifts and specific rotation values of the epimers at C-17. The first total synthesis of gliomasolide D along with its C-17 epimer, regioselective macrocyclization (18 membered vs 14 membered), and regioselective Wacker oxidation are highlights of the present work.}, doi = {10.1021/acs.jnatprod.6b00926}, author = {Seetharamsingh, B. and Ganesh, Routholla and Reddy, D. Srinivasa} } @article {43702, title = {Determination of triazines and triazoles in grapes using atmospheric pressure matrix-assisted laser desorption/ionization high-resolution mass spectrometry}, journal = {Journal of Aoac International}, volume = {100}, year = {2017}, month = {MAY}, pages = {640-646}, type = {Article}, abstract = {A chromatography-free atmospheric pressure matrix-assisted laser desorption/ionization high-resolution mass spectrometry (AP-MALDI HRMS) method is described for the simultaneous and quantitative detection of triazines and triazoles in grapes. The analytes were detected reproducibly with high mass accuracy (mass error within 5 ppm) and further confirmed by collision-induced dissociation fragmentation in tandem MS. The LODs and LOQs for all the analytes were found to be in the nanogram per gram level (15-20 ng/g LOQ). Internal standard normalized high-resolution accurate mass extracted (HR-AM) peak intensities of the detected ions were used to generate the concentration response curves. Linearity (with R-2 values around 0.99) was obtained for these curves within a concentration range of 20-200 ng/g of the individual analytes. The accuracy and precision of the method were further established using QC samples. Validation and performance comparison of the AP-MALDI HRMS method with an existing standard method using LC with :triple quadrupole MS was carried out (evaluating sensitivity, accuracy, precision, and analysis time) using 20 table-grape field samples after QuEChERS extraction.}, doi = {10.5740/jaoacint.17-0047}, author = {Mahale, Vishal and Singh, Ajeet and Phadke, Gayatri S. and Ghanate, Avinash D. and Oulkar, Dasharath P. and Banerjee, Kaushik and Panchagnula, Venkateswarlu} } @article {43945, title = {Developing techno-economically sustainable methodologies for deep desulfurization using hydrodynamic cavitation}, journal = {Fuel}, volume = {210}, year = {2017}, month = {DEC}, pages = {482-490}, type = {Journal Article}, abstract = {The present work, for the first time, describes the efficacy of the cavitation process and compares the cavitation yield for two types of cavitation devices-one employing linear flow for the generation of cavities and other employing vortex flow. The process involves pre-programmed mixing of the organic and aqueous phases, and can be carried out using simple mechanical cavitating devices such as orifice or vortex diode. The process essentially exploits in situ generation of oxidising agents such as hydroxyl radicals for oxidative removal of sulfur. The efficiency of the process is strongly dependent on the nature of device apart from the nature of the organic phase. The effects of process parameters and engineering designs were established for three organic solvents (n-octane, toluene, n-octanol) for model sulfur compound-Thiophene. A very high removal to the extent of 95\% was demonstrated. The results were also verified using commercial diesel. The cavitation yield is significantly higher for vortex diode compared to the orifice. The process has potential to provide a green approach for desulfurization of fuels or organics without the use of catalyst or external chemicals/reagents apart from newer engineering configurations for effective implementation of hydrodynamic cavitation in industrial practice and also appears to be economically sustainable.}, keywords = {Fuel, Oxidation, Petroleum, Pollution Control, Sulphur Removal}, doi = {10.1016/j.fuel.2017.08.106}, author = {Suryawanshi, N.B.}, editor = {Bhandari, V. M.} } @conference {45807, title = {Development of ARM based embedded controller for mass flow controller system}, booktitle = {9th International Conference on Trends in Industrial Measurement and Automation, TIMA 2017.}, year = {2017}, month = {OCT}, publisher = {Institute of Electrical and Electronics Engineers Inc.}, organization = {Institute of Electrical and Electronics Engineers Inc.}, address = {Chennai, India.}, abstract = {The purpose for this paper is to describe the central Embedded Controller development done for Mass Flow Controllers (MFCs) M100B system. Work caters to control M100B MFCs being used for one of the systems at National Chemical Laboratory. M100B MFC accurately measures and controls the mass flow rates of gases. The central controller for this system is non functional and technology is outdated and hence new central embedded controller is developed for the system. Development is done using ARM7 32-bit RISC microcontroller Philips LPC2148, as low power and high frequency design. Serial ADCs are interfaced to ARM microcontroller. LCD display 20{\texttimes}4 is used for display of run status, diagnostic and error messages. Touch keypad is designed and interfaced for setting of mass flow rate for different MFCs against MFC number selected by keypad. The software development is done using Keil micro vision 4. This ARM based controller is a real time system with display of diagnostic and error messages.}, isbn = {978-150903001-9}, doi = {10.1109/TIMA.2017.8064779}, author = {Iyer, N. and Shinde, S. and Dhawale, T. and Shelar, N.} } @article {43567, title = {Development of (quinolinyl)amido-based pincer palladium complexes: a robust and phosphine-free catalyst system for C{\textendash}H arylation of benzothiazoles}, journal = {New Journal of Chemistry}, year = {2017}, month = {MAR}, abstract = {(Quinolinyl)amido-ligated palladium(II) complexes have been synthesized and applied in the catalytic C{\textendash}H bond arylation of benzothiazoles. The tridentate ligand precursors R2N-C(O)CH2-(NH)-C9H6N [(R2NNN8-Q){\textendash}H; R2N = morpholinyl, Me-N-piperazinyl] and the pincer palladium complexes [κN,κN,κN-{R2N-C(O)CH2-(μ-N)-C9H6N}]PdX [(R2NNN8-Q)PdX {R2N = Et2N, morpholinyl, Me-N-piperazinyl; X = OAc or Cl}] were efficiently synthesized, and characterized by various analytical techniques. The iodo derivative (Et2NNN8-Q)PdI was obtained in excellent yield by the treatment of the complex (Et2NNN8-Q)PdCl with KI. The molecular structures of complexes (Et2NNN8-Q)Pd(OAc) (2a), (Et2NNN8-Q)PdCl (3a) and (Et2NNN8-Q)PdI (4a) were elucidated by X-ray crystallography. Complex 3a was found to be the most efficient catalyst for direct C{\textendash}H bond arylation of substituted benzothiazoles with diverse aryl iodides using a mild base, K2CO3. The working catalyst system 3a is highly robust and can be recycled and reused several times for the arylation of benzothiazole without loss of catalytic activity. Preliminary mechanistic investigations using controlled studies and kinetic analysis have been performed, which greatly support a molecular mechanism for the arylation.}, doi = {10.1039/C7NJ00452D}, author = {Pandiri, Hanumanprasad and Soni, Vineeta and Gonnade, Rajesh G. and Punji, Benudhar} } @article {43656, title = {Diastereoselective synthesis of chiral 2,3-disubstituted lndolines via formal [3+2]-cycloaddition of arynes with gamma-amino-alpha,beta-unsaturated esters}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {JUN}, pages = {5940-5946}, chapter = {5940-5946}, abstract = {A one step formal [3+2]-annulation protocol for the synthesis of 2,3-disubstituted indolines is described. The in situ generated aryne acts as a two-atom component, and gamma-amino-alpha,beta-unsaturated esters acting as a three-atom component to construct indoline units in a highly regio- and diastereoselective manner with yields ranging from 63 to 80\%.}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b00439}, author = {Aher, Ravindra D. and Suryavanshi, Gurunath M. and Sudalai, Arumugam} } @article {44089, title = {Differential rubisco content and photosynthetic efficiency of rol gene integrated Vinca minor transgenic plant: correlating factors associated with morpho-anatomical changes, gene expression and alkaloid productivity}, journal = {Journal of Plant Physiology}, volume = {219}, year = {2017}, month = {DEC}, pages = {12-21}, type = {Article}, abstract = {Transgenic plants obtained from a hairy root line (PVG) of Vinca minor were characterized in relation to terpenoid indole alkaloids (TIAs) pathway gene expression and vincamine production. The hairy roots formed callus with green nodular protuberances when transferred onto agar-gelled MS medium containing 3.0 mg/l zeatin. These meristematic zones developed into shoot buds on medium with 1.0 mg/l 2, 4-dichlorophenoxyacetic acid and 40 mg/l ascorbic acid. These shoot buds subsequently formed rooted plants when shifted onto a hormone-free MS medium with 6\% sucrose. Transgenic nature of the plants was confirmed by the presence of rol genes of the Ri plasmid in them. The transgenic plants (TP) had elongated internodes and a highly proliferating root system. During glass house cultivation TP consistently exhibited slower growth rate, low chlorophyll content (1.02 +/- 0.08 mg/gm fr. wt.), reduced carbon exchange rate (2.67 +/- 0.16 mu mol m(-2) s(-1)), less transpiration rate (2.30 +/- 0.20 mmol m(-2) s(-1)) and poor stomatal conductance (2.21 +/- 0.04 mmol m-2 s(-1)) when compared with non-transgenic population. The activity of rubisco enzyme in the leaves of TP was nearly two folds less in comparison to non-transgenic controls (1.80 milliunits ml(-1) mg protein-1 against 3.61 milliunits ml(-1) mg protein-1, respectively). Anatomically, the TP had a distinct tetarch arrangement of vascular bundles in their stem and roots against a typical ployarched pattern in the non-transgenic plants. Significantly, the transgenic plants accumulated 35\% higher amount of total TIAs (3.10 +/- 0.21\% dry wt.) along with a 0.03\% dry wt. content of its vasodilatory and nootropic alkaloid vincamine in their leaves. Higher productivity of alkaloids in TP was corroborated with more than four (RQ = 4.60 +/- 0.30) and five (RQ = 5.20 +/- 0.70) times over-expression of TIAs pathway genes tryptophan decarboxylase (TDC) and strictosidine synthase (STR) that are responsible for pushing the metabolic flux towards TIAs synthesis in this medicinal herb.}, doi = {10.1016/j.jplph.2017.09.004}, author = {Verma, Priyanka and Khan, Shamshad Ahmad and Masood, Nusrat and Manika, N. and Sharma, Abhishek and Verma, Neha and Luqman, Suaib and Mathur, Ajay K.} } @article {43914, title = {Digestive ripening: a fine chemical machining process on the nanoscale}, journal = {Langmuir }, volume = {33}, year = {2017}, month = {MAY}, type = {Article}, abstract = {A comprehensive over view of the process named as {\textquoteright}digestive ripening{\textquoteright} that is known to convert polydisperse nanocrystals to monodisperse ones is presented. Apart from highlighting the role of organic molecules (ligands) in achieving size control the role of other parameters like the nanocrystal-ligand binding strength and the temperature at which the reaction is carried out in accomplishing size control is also delineated. The generality of the procedure is illustrated by providing examples of how it is used to prepare monodispersed nanocrystals of different metals, alloy systems, ultra small nanocrystals and also to narrow the size distribution in complex binary and ternary nanocrystal systems. Finally, the current status as far as the theoretical understanding of how the size control is being achieved by digestive ripening is laid out, emphasizing at the same time the necessity to undertake more systematic studies to completely realize the full potential of this practically very useful procedure.}, doi = {10.1021/acs.langmuir.7b00193}, author = {Shimpi, Jayesh Ramesh and Sidhaye, Deepti S. and Prasad, Bhagavatula L V} } @article {43355, title = {Digestive ripening of Au nanoparticles by multidentate ligands}, journal = {Langmuir}, volume = {33}, year = {2017}, month = {JAN}, pages = {1943-1950}, type = {Article}, abstract = {

The efficiency of multidentate ligands as digestive ripening agents for the preparation of monodisperse Au nanoparticles was investigated. This systematic investigation was performed using ligands possessing one, two, or three thiol moieties as ligands/digestive ripening agents. Our results clearly establish that among the different ligands, those that are monodentate and the use of temperatures in the range of 60 {\textdegree}C and 120 {\textdegree}C offer the best conditions for digestive ripening. In addition, when digestive ripening was carried out at lower temperatures (e.g., 60 {\textdegree}C), the nanoparticle size increased as the number of thiol groups per ligand increased. However, in the case of ligands possessing two and three thiol moieties when they are heated with polydispersed particles at higher temperatures (120 {\textdegree}C or 180 {\textdegree}C), the etching process dominates, which affects the quality of the nanoparticles in terms of their monodispersity. We conclude that the temperature-dependent strength of the interaction between the ligand headgroup and the nanoparticle surface plays a vital role in controlling the final particle sizes.

}, doi = {10.1021/acs.langmuir.6b03998}, author = {Sahu, Puspanjali and Shimpi, Jayesh and Lee, Han Ju and Lee, T. Randall and Prasad, Bhagavatula L. V} } @article {45745, title = {Dihydropyrimidinone-isatin hybrids as novel non-nucleoside HIV-1 reverse transcriptase inhibitors}, journal = {Bioorganic Chemistry}, volume = {70}, year = {2017}, month = {FEB}, pages = {256-266}, type = {Article}, abstract = {A novel series of substituted N-(2-( 2,3-dioxoindolin-1-yl) acetyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5carboxamide was designed, synthesized and evaluated for in vitro Reverse Transcriptase (RT) inhibitory activity. This series is a combination of peculiar structural features from leading scaffolds of [(2-hydroxye thoxy) methyl]-6-(phenylthio) thymine (HEPT) and oxyindole. In vitro screening led to identification of two hybrids (9c and 9d) possessing higher RT inhibitory activity than the standard rilpivirine. Docking study was performed to study the binding orientations of synthesized hybrids towards RT enzyme. }, doi = {10.1016/j.bioorg.2017.01.006}, author = {Devale, T. L. and Parikh, J. and Miniyar, P. and Sharma, P. and Shrivastava, B. and Murumkar, P.} } @article {43906, title = {Direct C-N bond formation in an in situ ligand transformation reaction and formation of polymeric 1D cadmium(II) complexes with end-to-end bridging thiocyanate or selenocyanate ions: Synthesis, structures and theoretical studies}, journal = {Polyhedron}, volume = {133}, year = {2017}, month = {SEP}, pages = {8-15}, type = {Article}, abstract = {

Two new one-dimensional polymeric thiocyanato and selenocyanato bridged cadmium(II) complexes [Cd(dpip)(mu(1,3)-SCN)(2)](n) and [Cd(dpip)(mu(1,3)-SeCN)(2)](n), where dpip = 3,5-dimethy1-14(3-phenylimidazolidin-ly1)-methyl)-1H-pyrazole have been synthesized and characterized by elemental analysis, IR, 1H NMR and single crystal X-ray diffraction studies. The bidentate N-2-coordinated ligand dpip is formed from N-4-coor-dinated tetradentate ligand N,N-bis(3,5-dimethy1-1H-pyrazol-1-yOmethyl-N-2-phenylethane-1,2-diamine (bdpab) due to unusual transformation, removing one pyrazole group and formation of saturated imidazole ring during in situ complexation reaction. The 1D structures of the two complexes have been confirmed by single crystal X-ray diffraction studies and both NCS- and NCSe- act as end -to -end (-1,3) bridging ligands. The coordination environment around the cadmium center in the complexes are CdN4S2 and CdN4Se2, respectively and each cadmium(II) center has distorted octahedral geometry. The distortion in the molecules are due to two unequal Cd-N (organic ligand dpip) bond lengths and small bite angel of the unsymmetrical organic ligand. The DFT calculations performed with cadmium(II) complexes [Cd (dpip)(mu(1,3)-SCN)(2)](n) and [Cd(dpip)(mu(1,3)-SeCN)(2)](n) corroborated the observed crystal structures and the structural parameter were found to be in good agreement in both calculated and X-ray geometries. (C) 2017 Elsevier Ltd. All rights reserved.

}, keywords = {1d Chain, Cd(Ii) Complexes, Cobalt(Ii), coordination polymers, Crystal-structure, Dft Pyrazole Based Ligand, Dinuclear, End-to-end Bridge, Infrared-spectra, Magnetic-properties, Metal, Ncs/Secn Ion, Nickel(Ii), Nitrogen Single Bond}, issn = {0277-5387}, doi = {10.1016/j.poly.2017.05.007}, author = {Sadhu, Mehul H. and Solanki, Ankita and Kundu, T. and Hingu, Vinayak and Ganguly, B. and Kumar, Sujit B.} } @conference {45659, title = {Direct steam generation for process heat applications in compound parabolic collector (CPC)}, booktitle = {11th ISES EuroSun Conference}, year = {2017}, month = {JUL}, publisher = {INTL Solar Energy Soc, Wiesentalstr 50, Freiburg, 79115, Germany}, organization = {INTL Solar Energy Soc, Wiesentalstr 50, Freiburg, 79115, Germany}, address = {Palma, Spain}, abstract = {In recent years, CPC (Compound Parabolic Collector) is gaining its acceptance for temperature range higher than non-concentrating stationery solar collectors like flat plate collectors but lower end of temperature range of concentrating solar collectors like PTC (parabolic trough concentrators). Generally, pressurized hot water or thermal oil is used as a working fluid in the CPC. The elimination of solar tracking in CPC provides flexibility for installation and lower price point compared to other concentrating technologies with tracking. Steam is one of the universally accepted working fluid for process heat applications due to availability, nontoxic and high heat carrying capacity. Many industrial sectors such as food and beverages, textile, chemical processes etc utilize steam as a working fluid for process heat applications. Direct steam generation as a working fluid through a CPC has various operational, integration and cost advantages. The use of CPC for direct steam generation at saturation steam temperature range 105-145 degrees C (equivalent saturation pressure 0.5-3 bar (g)) can cater for low temperature process heat demand. Solar radiation intensity changes with the time of the day leading to change in heat flux for steam generation. There arc challenges for handling two phase flow (steam generation) in {\textquoteright}U{\textquoteright} shaped metal tubes due to pressure drop, flow instabilities and control of steam dryness fraction under vatying solar heat flux. The focus of the present research work is to analyze a CPC system for direct steam generation. This paper discusses an experimental setup and challenges for direct steam generation. The experimental measurements will he focused on behavior of the thermal flow pattern inside the inclined metal tube at various heat flux conditions throughout the day, measurement of local heat transfer coefficients and corresponding vapor quality. Experimental data analysis and understanding will be useful to develop direct steam generation engineering schemes and its integration approach with various end-use applications.}, doi = {10.18086/eurosun.2016.02.09}, author = {Sardeshpande, Madhavi V. and Sardeshpande, Vishal R.} } @article {43926, title = {Diverse profiles of N-acyl-homoserine lactones in biofilm forming isolates of Cronobacter sakazakii}, journal = {Virulence}, volume = {8}, year = {2017}, month = {OCT}, pages = {275-281}, type = {Article}, abstract = {

The present study investigates the role of quorum sensing (QS) molecules expressed by C. sakazakii in biofilm formation and extracellular polysaccharide expression. The QS signaling was detected using Chromobacterium violaceum 026 and Agrobacterium tumefaciens NTL4(pZLR4) based bioassay. Long chain N-acyl-homoserine lactones (AHLs) with C6- C18 chain length were identified using High Performance Liquid Chromatography and Liquid Chromatography-High Resolution Mass Spectrometry. A higher Specific Biofilm Formation (SBF) index (p \< 0.05) with the presence of genes associated with cellulose biosynthesis (bcsA, bcsC and bcsG) was observed in the strains. AHLs and their mechanisms can serve as novel targets for developing technologies to eradicate and prevent biofilm formation by C. sakazakii.

}, doi = {10.1080/21505594.2016.1226713}, author = {Singh, Niharika and Patil, Amrita and Prabhune, Asmita Ashutosh and Raghav, Mamta and Goel, Gunjan} } @article {43478, title = {Draft genome sequence of lactobacillus plantarum strains E2C2 and E2C5 isolated from human stool culture}, journal = {Standards in Genomic Sciences}, volume = {12}, year = {2017}, month = {JAN}, pages = {Article Number: 15}, abstract = {Probiotic Lactobacillus species offer various health benefits, thus have been employed in treatment and prevention of various diseases. Due to the differences in the isolation source and the site of action, most of the lactobacilli tested in-vitro for probiotics properties fail to extend similar effects in-vivo. Consequently, the search of autochthonous, efficacious and probably population specific probiotics is a high priority in the probiotics research. In this regards, whole genome sequencing of as many Lactobacillus as possible will help to deepen our understanding of biology and their health effects. Here, we provide the genomic insights of two coherent oxalic acid tolerant Lactobacillus species (E2C2 and E2C5) isolated from two different healthy human gut flora. These two isolates were found to have higher tolerance towards oxalic acid (300 mM sodium oxalate). The draft genome of strain E2C2 consists of 3,603,563 bp with 3289 protein-coding genes, 94 RNA genes, and 43.99\% GC content, while E2C5 contained 3,615,168 bp, 3293 coding genes (93.4\% of the total genes), 95 RNA genes and 43.97\% GC content. Based on 16S rRNA gene sequence analysis followed by in silico DNA-DNA hybridization studies, both the strains were identified as Lactobacillus plantarum belonging to family Lactobacillaceae within the phylum Firmicutes. Both the strains were genomically identical, sharing 99.99\% CDS that showed 112 SNPs. Both the strains also exhibited deconjugation activity for the bile salts while genome analysis revealed that the L. plantarum strains E2C2 and E2C5 also have the ability to produce vitamins, biotin, alpha-and beta-glucosidase suggesting potential probiotic activities of the isolates. The description presented here is based on the draft genomes of strains E2C2 and E2C5 which are submitted to GenBank under the accession numbers LSST00000000.1 and LTCD00000000.1, respectively.}, doi = {10.1186/s40793-017-0222-x}, author = {Suryavanshi, Mangesh V. and Paul, Dhiraj and Doijad, Swapnil P. and Bhute, Shrikant S. and Hingamire, Tejashri B. and Gune, Rahul P. and Shouche, Yogesh S.} } @article {45759, title = {Drug-triggered self-assembly of linear polymer into nanoparticles for simultaneous delivery of hydrophobic and hydrophilic drugs in breast cancer cells}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {DEC}, pages = {8730-8740}, type = {Article}, abstract = {

Breast cancer is the most devastating disease among females globally. Conventional chemotherapeutic regimen relies on the use of highly cytotoxic drugs as monotherapy and combination therapy leading to severe side effects to the patients as collateral damage. Moreover, combining hydrophobic and hydrophilic drugs create erratic biodistribution and suboptimal medicinal outcome. Hence, packaging multiple drugs of diverse mechanisms of action and biodistribution for safe delivery into tumor tissues with optimal dosages is indispensable for next-generation breast cancer therapy. To address these, in this report, we describe a unique cisplatin-triggered self-assembly of linear polymer into 3D-spherical sub 200 nm particles. These nano-particles comprise a hydrophobic (paclitaxel) and hydrophilic drug (cisplatin) simultaneously in a single particle. Molecular dynamics simulation revealed hydrophilic-hydrophilic interaction and interchain H-bonding as underlying mechanisms of self-assembly. Confocal microscopy studies evidently demonstrated that these novel nanoparticles can home into lysosomes in breast cancer cells, fragment subcellular nuclei, and prevent cell division, leading to improved breast cancer cell death compared to free drug combination. Moreover, 3D-breast tumor spheroids were reduced remarkably by the treatment of these nanoparticles within 24 h. These dual-drug-loaded self-assembled polymeric nanoparticles have prospective to be translated into a clinical strategy for breast cancer patients.

}, issn = {2470-1343}, doi = {10.1021/acsomega.7b01400}, author = {Palvai, Sandeep and Anandi, Libi and Sarkar, Sujit and Augustus, Meera and Roy, Sudip and Lahiri, Mayurika and Basu, Sudipta} } @article {44135, title = { Dynamic metabolic reprogramming of steroidal glycol-alkaloid and phenylpropanoid biosynthesis may impart early blight resistance in wild tomato (Solanum arcanum Peralta)}, journal = {Plant Molecular Biology}, volume = {95}, year = {2017}, month = {NOV}, pages = {411-423}, type = {Article}, abstract = {Alternaria solani severely affects tomato (Solanum lycopersicum L.) yield causing early blight (EB) disease in tropical environment. Wild relative, Solanum arcanum Peralta could be a potential source of EB resistance; however, its underlying molecular mechanism largely remains unexplored. Hence, non-targeted metabolomics was applied on resistant and susceptible S. arcanum accessions upon A. solani inoculation to unravel metabolic dynamics during different stages of disease progression. Total 2047 potential metabolite peaks (mass signals) were detected of which 681 and 684 metabolites revealed significant modulation and clear differentiation in resistant and susceptible accessions, respectively. Majority of the EB-triggered metabolic changes were active from steroidal glycol-alkaloid (SGA), lignin and flavonoid biosynthetic pathways. Further, biochemical and gene expression analyses of key enzymes from these pathways positively correlated with phenotypic variation in the S. arcanum accessions indicating their potential role in EB. Additionally, transcription factors regulating lignin biosynthesis were also up-regulated in resistant plants and electrophoretic mobility shift assay revealed sequence-specific binding of rSaWRKY1 with MYB20 promoter. Moreover, transcript accumulation of key genes from phenylpropanoid and SGA pathways along with WRKY and MYB in WRKY1 transgenic tomato lines supported above findings. Overall, this study highlights vital roles of SGAs as phytoalexins and phenylpropanoids along with lignin accumulation unrevealing possible mechanistic basis of EB resistance in wild tomato.}, doi = {10.1007/s11103-017-0660-2}, author = {Shinde, Balkrishna A. and Dholakia, Bhushan B. and Hussain, Khalid and Panda, Sayantan and Meir, Sagit and Rogachev, Ilana and Aharoni, Asaph and Giri, Ashok P. and Kamble, Avinash C.} } @article {43802, title = {Effect of ligand attachment on the C-I bond dissociation process on aluminum nanoclusters: a DFT investigation}, journal = {Journal of Physical Chemistry C}, volume = {121}, year = {2017}, month = {AUG}, pages = {17354-17364}, type = {Article}, abstract = {The influence of the ligand attachment on the activation process of carbon halogen bond on small sized aluminum nanoclusters are investigated using density functional theory. Attaching suitable ligand to metal clusters is among the widely popular techniques often used by experimentalists in order to stabilize metastable clusters. In depth theoretical investigations have shown that based on the jellium configuration of the cluster, attaching an electron withdrawing ligand can either make a cluster more reactive toward the C-I dissociation or may convert the cluster relatively inert. The alteration of the activation barriers and other associated parameters due to ligand attachment are included in this paper along with additional calculations and explanations. The study also shows that even the reaction parameters of specific magic clusters can be significantly altered via ligand attachment. The activation process of small molecules on metal clusters are of crucial importance for the development of material science and cluster chemistry. The present investigation will therefore be useful for better understanding of the properties of the ligated clusters as well as may also aid the experimentalists toward controlling the reactivity of a specific cluster as required.}, doi = {10.1021/acs.jocc.7b05470}, author = {Sengupta, Turbasu and Samanta, Bipasa and Pal, Sourav} } @article {45810, title = {Effect of phytase and FYM on soil enzyme activities, microbial population and nutrient availability of non-calcareous soil}, journal = {Journal of the Indian Society of Soil Science}, volume = {65}, year = {2017}, month = {JUN}, pages = {222-229}, type = {Article}, abstract = {A pot culture experiment was conducted to assess the effect of phytase and FYM levels on soil enzyme activities and nutrient availability of non-calcareous soil under soybean cultivation. The treatment consisted of four levels of phytase (0, 1200, 2400 and 3600 IU) and FYM (0, 2.5, 5.0 and 7.5 t ha-1). Enzyme activities and nutrient availability in soil was assessed at 50\% flowering and harvest of soybean. It was observed that application of phytase @ 3600 IU recorded significantly higher acid and alkaline phosphatase and dehydrogenase activity at both the growth stages of soybean. Results revealed that significant interaction effect with combine application of phytase @ 3600IU and FYM @ 7.5 t ha-1 recorded higher bacterial, fungal and actinomycetes population. Combined application of phytase @ 3600 IU and FYM @ 7.5 t ha-1 recorded significantly higher available nitrogen (289.3 and 213.6 kg ha-1) and potassium (295.0 and 270.6 kg ha-1) at 50\% flowering and at harvest of soybean, respectively. However, in case of phosphorus (P), at 50\% flowering significantly higher available P was recorded with phytase @ 3600 IU + 7.5 t ha-1 (23.9 kg ha-1). Reduction trend obtained for calcium carbonate content from 4.24 to 3.68\% at 50\% flowering and from 4.20 to 3.60\% at harvest stage was obtained with the application of phytase @ 3600 IU. This study suggest that application of phytase in combination with manure substantially improves soil biological activities as well as better nutrient supply to crop.}, issn = {0019638X}, doi = {10.5958/0974-0228.2017.00025.1}, author = {Jadhav, A.B. and Suradkar, R. and Taggu, B. and Tamboli, B.D. and Priyanka, B.} } @article {43962, title = {Effective degradation of organic water pollutants by atmospheric non-thermal plasma torch and analysis of degradation process}, journal = {Chemosphere}, volume = {167}, year = {2017}, month = {JAN}, pages = {396-405}, type = {Article}, abstract = {The paper reports the use of atmospheric non-thermal plasma torch as a catalyst for degradation of various organic pollutants dissolved in water. A flow of He mixed with air was used to produce the dielectric barrier discharge (DBD), at the tip of the torch, using pulsed electric excitation at 12 kV. The torch, operated at a power of 750 mW/mm{\texttwosuperior}, was seen to completely degrade the aqueous solutions of the pollutants namely methylene blue (MB), methyl orange (MO) and rhodamine-B (RB), at around 10$^{-}$$^{4}$ M concentrations, the concentration of polluants is one order higher than of routinely used heterogeneous photocatalytic reactions, within 10 min of irradiation time at room temperature. UV Visible spectra of the organic dye molecules, monitored after different intervals of plasma-irradiation, ranging between 1 and 10 min, have been used as tools to quantify their sequential degradation. Further, instead of using He, only air was used to form plasma plume and used for degradation of organic dye which follow similar trend as that of He plasma. Further, Liquid Chromatography Mass Spectroscopy (LCMS) technique has been used to understand degradation pathway of methylene blue (MB) as a representative case. Total organic carbon (TOC) measurements indicates significant decrease in its content as a function of duration of plasma exposure onto methylene blue as a representative case. Toxicity studies were carried out onto Gram negative Escherichia coli. This indicated that methylene blue, without plasma treatment, shows growth inhibition, whereas with plasma treatment no inhibition was observed.}, doi = {10.1016/j.chemosphere.2016.09.089}, author = {Bansode, Avinash H. and More, Supriya Eknath and Siddiqui, Ejaz Ahmad and Satpute, Shruti and Ahmad, Absar and Bhoraskar, Sudha V. and Mathe, Vikas L.} } @article {44170, title = {Efficient and durable oxygen reduction electrocatalyst based on CoMn alloy oxide nanoparticles supported over N-doped porous graphene}, journal = {ACS Catalysis}, volume = {7}, year = {2017}, month = {OCT}, pages = {6700-6710}, type = {Article}, abstract = {Transition metal oxide derived materials are very important for various applications, such as electronics, magnetism, catalysis, electrochemical energy conversion, and storage. Development of efficient and durable catalysts for the oxygen reduction reaction (ORR), an important reaction in fuel cells and metal air batteries, is highly desirable. Moreover, the futuristic catalysts for these applications need to be costeffective in order to ensure a competitive edge for these devices in the energy market. This article describes the synthesis of a cost-effective and efficient electrocatalyst for ORR It is based on supporting CoMn alloy oxide nano particles on N-doped porous graphene through a simple and scalable microwave irradiation method. Microwave irradiation was found to be very crucial for the fast creation of pores in the graphene framework with a concomitant formation of the CoMn alloy oxide nanoparticles. A series of catalysts have been synthesized by varying the Co:Mn ratio, among which, the one with the Co:Mn ratio of 2:1 [designated as CoMn/pNGr(2:1)] displayed remarkably higher ORR activity in 0.1 M KOH solution. It showed a similar to 60 mV potential shift with a low Tafel slope of 74 mV/decade, which is comparable to that derived from the commercial Pt/C catalyst. This high activity of CoMn/pNGr(2:1) has been credited to the cooperative effect arising from the metal entities and the defects present in the N-doped porous graphene. Finally, real system-level validations of the use of CoMn/pNGr(2:1) as cathode catalyst could be performed by fabricating and testing single-cells of an anion-exchange membrane fuel cell (AEMFC) and a primary Zn-air battery, which successfully demonstrated the efficiency of the catalyst to facilitate ORR in real integrated systems of the single-cell assemblies.}, keywords = {anion-exchange membrane fuel cell, cooperativity effect, microwave synthesis, oxygen reduction reaction, porous N-doped graphene, Zn-air battery}, issn = {2155-5435}, doi = {10.1021/acscatal.7b01983}, author = {Singh, Santosh K. and Kashyap, Varchaswal and Manna, Narugopal and Bhange, Siddheshwar N. and Soni, Roby and Boukherroub, Rabah and Szunerits, Sabine and Kurungot, Sreekurnar} } @article {43539, title = {Efficient Sn(II)-catalyzed one-pot synthesis of a 3-substituted azetidine-2,4-dione framework}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {MAR}, pages = {2385-2391}, abstract = {A novel Sn(II)-catalyzed tandem cyclization reaction of aromatic aldehydes with ethyl cyanoacetate has been achieved to afford a series of 3-substituted azetidine-2,4-diones in good to excellent yields. This protocol provides straightforward access to construct the azetidine core through sequential Knoevenagel condensation, hydration and the C-N cyclization reaction.}, doi = {10.1039/c7ob00294g}, author = {Chavan, Santosh S. and Supekar, Mrudul V. and Burate, Pralhad A. and Rupanwar, Bapurao D. and Shelke, Anil M. and Suryavanshi, Gurunath} } @article {43843, title = {Efficient synthesis of the opioid analgesic (R)-phenampromide via an aziridinium ion}, journal = {Tetrahedron-Asymmetry}, volume = {28}, year = {2017}, month = {JUL}, pages = {983-986}, type = {Article}, abstract = {A simple and efficient synthesis of the opioid analgesic agent (R)-phenampromide with high enantiopurity (> 99\% ee) via the formation of an aziridinium ion as a key step using commercially available starting material is described. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.tetasy.2017.06.001}, author = {Mujahid, Mohammad and Mujumdar, Prashant and Sasikumar, Murugesan and Deshmukh, Shirish P. and Muthukrishnan, Murugan} } @article {43505, title = {Efficient trifluoromethylation of C(sp(2))-H functionalized alpha-oxoketene dithioacetals: a route to the regioselective synthesis of functionalized trifluoromethylated pyrazoles}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {JAN}, pages = {10150-10153}, abstract = {An operationally simple approach for the regioselective construction of diversely substituted trifluoromethylated pyrazoles via nucleophilic trifluoromethylation of iodo-substituted alpha-oxoketene dithioacetals is described. X-ray crystallographic studies confirmed the trifluoromethylation as well as formation of a regioselective cyclized product. Furthermore, trifluoromethylated pyrazoles bearing thiomethyl groups may allow further functionalization and are of considerable interest in medicinal chemistry.}, doi = {10.1039/c7ra01130j}, author = {Sharma, N. and Kumari, N. and Chundawat, T. S. and Kumar, S. and Bhagat, S.} } @article {43916, title = {Efficient valorisation of palm shell powder to bio-sorbents for copper remediation from aqueous solutions}, journal = {Journal of Environmental Chemical Engineering}, volume = {5}, year = {2017}, month = {APR}, type = {Article}, abstract = {Alternative bio-sorbents, prepared from cost effective pre-treatment of biomass have been used to remediate toxic heavy metals. Palm shell powder (PSP) and acid treated palm shell powder (APSP) provide an attractive approach for the removal of Cu(II) from aqueous solutions and further use of the copper loaded adsorbents as catalysts. PSP was charred with sulfuric acid (H2SO4) to oxidize ligno-cellulosic groups present in PSP, resulted in acid treated palm shell powder (APSP). Structure property relationship was explored with the help of sophisticated spectroscopic tools ({\textonesuperior}{\textthreesuperior}C nuclear magnetic resonance ({\textonesuperior}{\textthreesuperior}C NMR), X-Ray photoelectron spectroscopy (XPS), X-Ray diffraction (XRD) and Fourier-transform infrared (FTIR) spectroscopy). Pretreatment lead to conversion of ligno-cellulosic content to more valuable and easily process-able polysaccharide content.APSP and PSP displayed a maximum adsorption capacity of 125 and 36 mg/g respectively for copper. Copper adsorption was found to be more in APSP due to presence of COOH groups which rendered the surface more hydrophilic and amenable to enhanced Cu{\texttwosuperior}$^{+}$ sorption. Furthermore the adsorbents loaded with copper could be used as catalysts for oxidation of styrene. The developed adsorbents promise advantages such as low cost, high adsorption capacity, environmental friendliness as well as zero sludge. }, doi = {10.1016/j.jece.2017.04.033}, author = {Kushwaha, Shilpi and Soni, Harnish and Bojja, Sreedhar and Padmaja, P.} } @article {43776, title = {Electrical resistance tomography for gas holdup in a gas-liquid stirred tank reactor}, journal = {Chemical Engineering Science}, volume = {170}, year = {2017}, month = {OCT}, pages = {476-490}, abstract = {Gas-Liquid flows in stirred tank reactors (STR) are used in many significant industrial operations such as hydrogenation, absorption, stripping, oxidation, hydrogenation, ozonation, chlorination, fermentation, etc. Gas-Liquid STRs are expected to perform several functions such as mixing, dispersing gas into liquid, mass and heat transfer and reactions. Gas hold up distribution and various flow regimes are the key parameters affecting performance of gas-liquid STRs. Various techniques such as visual analysis, photography, light attenuation, optical probe method are used to understand gas hold-up distribution within stirred tanks. Most of these techniques have some limitations with respect to measurement of gas hold up distribution. Electrical Resistance Tomography (ERT) is an upcoming technique for obtaining both qualitative and quantitative data on multiphase process units non-invasively and non-intrusively. In this work, an attempt was made to establish and validate the ERT technique for characterizing gas-liquid flows in a laboratory scale STR using the Rushton turbine impeller. ERT was used to study gas holdup and to identify flow regimes. The results were compared with the visual measurements as well as previously published correlations. The effect of gas flow rate, impeller speed on the mean gas holdup is discussed. The methodology and results presented in this work will be useful to effectively apply ERT for characterizing gas-liquid flows in stirred tanks. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.ces.2017.04.025}, author = {Sardeshpande, Madhavi V. and Gupta, Suraj and Ranade, Vivek V.} } @article {43549, title = {Electrochemical formation of Fe-V (O) and mechanism of its reaction with water during O-O bond formation}, journal = {Chemistry-A European Journal}, volume = {23 }, year = {2017}, month = {MAR}, pages = {3414-3424}, type = {Journal Article}, abstract = {A detailed electrochemical investigation of a series of iron complexes (biuret-modified tetraamido iron macrocycles FeIII-bTAML), including the first electrochemical generation of Fe-V(O), and demonstration of their efficacy as homogeneous catalysts for electrochemical water oxidation (WO) in aqueous medium are reported. Spectroelectrochemical and mass spectral studies indicated FeV(O) as the active oxidant, formed due to two redox transitions, which were assigned as Fe-IV(O)/Fe-III(OH2)and Fe-V(O)/Fe-IV(O). The spectral properties of both of these high-valent iron oxo species perfectly match those of their chemically synthesised versions, which were thoroughly characterised by several spectroscopic techniques. The O-O bond-formation step occurs by nucleophilic attack of H2O on FeV(O). A kinetic isotope effect of 3.2 indicates an atom-proton transfer (APT) mechanism. The reaction of chemically synthesised Fe-V(O) in CH3CN and water was directly probed by electrochemistry and was found to be first-order in water. The pK(a) value of the buffer base plays a critical role in the rate-determining step by increasing the reaction rate several-fold. The electronic effect on redox potential, WO rates, and onset overpotential was studied by employing a series of iron complexes. The catalytic activity was enhanced by the presence of electron-withdrawing groups on the bTAML framework. Changing the substituents from OMe to NO2 resulted in an eightfold increase in reaction rate, while the overpotential increased threefold.}, doi = {10.1002/chem.201605061}, author = {Pattanayak, Santanu and Chowdhury, Debarati Roy and Garai, Bikash and Singh, Kundan K. and Paul, Amit and Dhar, Basab B. and Sen Gupta, Sayam} } @article {43457, title = {Electrochemical synthesis of a ternary transition metal sulfide nanosheets on nickel foam and energy storage application}, journal = {Journal of Alloys and Compounds}, volume = {695}, year = {2017}, month = {FEB}, pages = {154-161}, abstract = {We report growth of nickel cobalt sulfide (NCS) ultrathin nanosheets directly on Ni foam substrate by a facile and novel electrodeposition method. The as-prepared NCS sample is used as an electrode material for supercapacitor application due to their large electrochemically active surface area and interconnected nanosheet channels for the facilitation of ion transportation. The NCS nanosheets possess enhanced electrochemical performance in terms of fast and high reversible faradaic reactions characterized by prominent oxidation and reduction peaks. NCS nanosheets showed an ultrahigh specific capacitance of 1712 Fg(-1) at a current density of 1 Ag-1 with excellent cyclic stability. The excellent supercapacitor performance of NCS nanosheets can be attributed to its rich redox reactions as well as high transport rate for both electrolyte ions and electrons. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jallcom.2016.10.163}, author = {Sahoo, Surjit and Naik, Kusha Kumar and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {45681, title = {Electrodeposited nickel cobalt manganese based mixed sulfide nanosheets for high performance supercapacitor application}, journal = {Microporous and Mesoporous Materials}, volume = {244}, year = {2017}, month = {MAY}, pages = {101-108}, type = {Article}, abstract = {Porous multi component Nickel Cobalt Manganese Sulfide (NCMS) nanosheets have been grown on Ni foam by cathodic electrodeposition method. The as-prepared NCMS nanosheets sample is used as an electrode material for supercapacitor application due to its large electrochemically active surface and high porosity structure. Moreover, NCMS nanosheets have good electrical and mechanical connections to the conductive Ni foam to achieve enhanced reaction kinetics with improved electrode integrity. The NCMS nanosheets exhibit an ultrahigh specific capacitance of 2717 Fig at a current density of 1 Aug with excellent cyclic stability and energy density of 94.07 Wh/kg. The electrodeposited NCMS nanosheets with extraordinary electrochemical performance enable the novel electrodes to hold great potential for high efficient energy storage systems. }, doi = {10.1016/j.micromeso.2017.02.043}, author = {Sahoo, S. and Mondal, R. and Late, D. J. and Rout, C. S.} } @article {45734, title = {Electronic control on linear versus branched alkylation of 2-/3-aroylbenzofurans with acrylates: combined DFT and synthetic studies}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {JUN }, pages = {7570-7581}, type = {Article}, abstract = {

Investigations on the factors that govern unusual branched alkylation of 2-aroylbenzofurans with acrylates by Ru-catalyzed carbonyl-directed C-H activation has been carried out by calculating the kinetics associated with the two key steps-the coordination of the acrylate with the intermediate ruthenacycle and the subsequent migratory insertion reaction-studied with the help of DFT calculations. Eight possible orientations for each mode of alkylation have been considered for the calculations. From these calculations, it has been understood that there is a synergistic operation of the steric and electronic effects favoring the branched alkylation. Further DFT investigations on the alkylation of the isomeric 3-aroylbenzofurans indicated a preference for the linear alkylation and this has been verified experimentally. Overall, the observed/calculated complementary selectivity in the alkylation of 2-/3-aroylbenzofurans with acrylates reveals that the substrate-dependent charge distribution of the Ru-C bond in the intermediate ruthenacycle is an important determining factor and thus the current work opens up a new domain of substrate design for controlling regioselectivity.

}, keywords = {acrylates, Alkylation, aroylbenzofuran, C-H activation, Density functional calculations}, issn = {0947-6539}, doi = {10.1002/chem.201700643}, author = {Srinivas, Kolluru and Dangat, Yuvraj and Kommagalla, Yadagiri and Vanka, Kumar and Ramana, Chepuri V.} } @article {44004, title = {Electron{\textendash}nucleus scalar{\textendash}pseudoscalar interaction in PbF: Z-vector study in the relativistic coupled-cluster framework}, journal = {Molecular Physics}, year = {2017}, month = {MAY}, chapter = {1-6}, abstract = {

The scalar{\textendash}pseudoscalar interaction constant of PbF in its ground state electronic configuration is calculated using the Z-vector method in the relativistic coupled-cluster framework. The precise calculated value is very important to set upper bound limit on (Formula presented.)-odd scalar{\textendash}pseudoscalar interaction constant, ks, from the experimentally observed (Formula presented.)-odd frequency shift. Further, the ratio of the effective electric field to the scalar{\textendash}pseudoscalar interaction constant is also calculated which is required to get an independent upper bound limit of electric dipole moment of electron, de, and ks and how these (de and ks) are interrelated is also presented here. {\textcopyright} 2017 Informa UK Limited, trading as Taylor \& Francis Group

}, author = {Sasmal, S. and Talukdar, K. and Nayak, M.K. and Vaval, N. and Pal, S.} } @article {44005, title = {Elucidation of molecular mechanism of stability of the heme-regulated eIF2α kinase upon binding of its ligand, hemin in its catalytic kinase domain}, journal = {Journal of Biomolecular Structure and Dynamics }, volume = {35}, year = {2017}, month = {SEP}, pages = {1-17}, type = {Journal Article}, abstract = {The eIF2α kinase activity of the heme-regulated inhibitor (HRI) is regulated by heme which makes it a unique member of the family of eIF2α kinases. Since heme concentrations create an equilibrium for the kinase to be active/inactive, it becomes important to study the heme binding effects upon the kinase and understanding its mechanism of functionality. In the present study, we report the thermostability achieved by the catalytic kinase domain of HRI (HRI.CKD) upon ligand (heme) binding. Our CD data demonstrates that the HRI.CKD retains its secondary structure at higher temperatures when it is in ligand bound state. HRI.CKD when incubated with hemin loses its monomeric state and attains a higher order oligomeric form resulting in its stability. The HRI.CKD fails to refold into its native conformation upon mutation of H377A/H381A, thereby confirming the necessity of these His residues for correct folding, stability, and activity of the kinase. Though our in silico study demonstrated these His being the ligand binding sites in the kinase insert region, the spectra-based study did not show significant difference in heme affinity for the wild type and His mutant HRI.CKD.}, keywords = {Heme Regulated Inhibitor (HRI), HRI-eIF2α Complex, Protein{\textendash}Ligand Modeling, Thermostability}, doi = {10.1080/07391102.2017.1368417}, author = {Bhavnani, V.}, editor = {Kaviraj, S.} } @article {45713, title = {Engineering molecular topology: A pseudopeptidic macrocyclic figure-eight motif}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {FEB }, pages = {1120-1124}, type = {Article}, abstract = {

We herein present a rational-design strategy for the synthesis of molecules with figure-eight topology. The design concept is based on the incorporation of turn units in the back-bone of the macrocycle. The molecular structures and the folding are studied by X-ray crystallography and NMR, FT-IR, and CD spectroscopy.

}, keywords = {Macrocycles, noncovalent interactions, Pi interactions, topology, X-ray diffraction}, issn = {1434-193X}, doi = {10.1002/ejoc.201601365}, author = {Sharma, Sakshi and Thorat, Shridhar H. and Gonnade, Rajesh G. and Jasinski, Jerry P. and Butcher, Ray and Haridas, V.} } @article {45714, title = {Enhanced field emission characteristics of a 3D hierarchical Hfo2-Zno heteroarchitecture}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {MAR}, pages = {2305-2310}, type = {Article}, abstract = {

Three dimensional (3D) HfO2-ZnO heteroarchitecture comprised of thin coating of HfO2 on self assembled 3D ZnO urchins with pointed apex has been synthesized using hydrothermal route followed by Pulsed Laser Deposition (PLD). The as-synthesized HfO2-ZnO heteroarchitecture was characterized using XRD, SEM, EDS, and (HR) TEM, in order to reveal its structural, morphological, and chemical properties. The HfO2-ZnO heteroarchitecture emitter exhibits superior field emission (FE) behaviour in contrast to the pristine ZnO urchins, demonstrated by delivery of high emission current density of similar to 885 mA/cm2 at an applied field of similar to 3.35 V/mm, against similar to 383 mA/cm(2) at an applied field of similar to 4.32 V/mu m for the pristine ZnO urchins emitter. Interestingly, the HfO2-ZnO heteroarchitecture emitter exhibits excellent emission current stability characterized with fewer fluctuations, owing to very good ion-bombardment resistance offered by the HfO2 coating. Furthermore, the heteroarchitecture thus obtained facilitates tailoring of the morphology with high aspect ratio and modulation of electronic properties as well, thereby enhancing the FE behaviour. Despite HfO2 being wide band gap and high-k material, the HfO2-ZnO heteroarchitecture exhibits potential as promising candidate for fabrication of high current density cold cathode

}, keywords = {3D heteroarchitecture, Field Emission (FE), hydrothermal, PLD, TEM}, issn = {2365-6549}, doi = {10.1002/slct.201601723}, author = {Shisode, Raju T. and Suryawanshi, Sachin R. and Mistari, Chetan D. and Late, Dattatray J. and More, Mahendra A.} } @article {43846, title = {Enhanced proton conduction by post-synthetic covalent modification in a porous covalent framework}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {JUL}, pages = {13659-13664}, type = {Article}, abstract = {A highly chemically stable porous covalent framework (PCF-1) based on ether linkages has been synthesized, which exhibits no loss up to similar to 500 degrees C along with retention of integrity under acidic, basic and oxidative reagent conditions. Owing to its thermal and chemical stability, post-synthetic covalent modification was executed for the introduction of pendant sulphonic acid (-SO3H) groups. The covalently modified compound (PCF-1-SO3H) presents a remarkably high conductivity (ca. 0.026 S cm(-1)), with an similar to 130 fold enhancement in proton conductivity over the parent compound. This value is comparable with those of commercially used Nafion-based proton conducting materials and stands as the highest known value in the regime of post-synthetically modified porous organic frameworks. It is noteworthy to mention that PCF-1 is stable in both acidic and alkaline media, which is not commonly observed for most of the porous materials trialed as proton conducting materials, including metal organic frameworks.}, doi = {10.1039/c7ta00964j}, author = {Samanta, Partha and Desai, Aamod V. and Anothumakkool, Bihag and Shirolkar, Mandar M. and Karmakar, Avishek and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article {45715, title = {Estimating the lipophobic contributions in model membranes}, journal = {Journal of Physical Chemistry B}, volume = {121}, year = {2017}, month = {MAR }, pages = {2111-2120}, type = {Article}, abstract = {

The insertion and association of membrane proteins is critical in several cellular processes. These processes were thought to be protein-driven, but increasing evidence points toward an important role of the lipid bilayer. The lipid-mediated contribution has been shown to be important in the association of membrane peptides, but the corresponding {\textquoteleft}{\textquoteleft}lipophobic{\textquoteright}{\textquoteright} component has not been directly estimated. Here, we calculate the free energy of insertion for transmembrane peptides and estimate the lipophobic component from the cost of cavity formation. The free-energy calculations were performed using the coarse-grain Martini force field, which has been successful in predicting membrane protein interactions. As expected, the charged moieties have the least favorable free energy of insertion and the highest cost of cavity formation. A length dependence was observed in polyalanine peptides with the lipid-mediated component increasing nonlinearly with peptide length. Membrane fluidity was tested by varying the temperature, and opposing effects were observed for short and long peptides. The dependence of the lipid-mediated effects on peptide length and temperature was not uniform and gives valuable insight into the anisotropic nature of the membrane. The results are an important step in estimating membrane effects in protein insertion and association.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.6b09863}, author = {Dubey, Vikas and Prasanna, Xavier and Sengupta, Durba} } @article {44021, title = {Estimation of gas induction in jet loop reactors: influence of nozzle designs}, journal = {Chemical Engineering Research and Design}, volume = {125}, year = {2017}, month = {JUN}, pages = {24-34}, type = {Journal Article}, abstract = {

Jet loop reactors are used widely for conducting gas liquid reactions because of the high mass transfer achieved in the gas{\textendash}liquid ejector. Studies have shown that the mass transfer has a very strong correlation to the amount of gas induced in the ejector, and hence it is important to understand gas induction to enhance the performance of any gas{\textendash}liquid nozzle. In this work, we used a single phase CFD model of the ejector with one adjustable parameter for estimating gas induction rates. After establishing that the model adequately describes the experimental data, the model was used for a quick evaluation of ejector geometries. Influence of key geometric parameters of gas{\textendash}liquid ejectors like nozzle diameter, mixing tube length, distance between the nozzle outlet and mixing tube, suction chamber geometry and diffuser angle was investigated. It was found that dependence of gas induction on geometric parameters like distance between nozzle{\textemdash}mixing tube, suction chamber geometry, diffuser angle was either weak or had a clear maxima at or beyond a certain value of the geometric parameter. Other parameters like mixing tube length and nozzle diameter have a more complex impact on gas induction. The presented approach and results will be useful for quantifying influence of nozzle designs on gas induction rate in jet loop reactors.

}, keywords = {CFD, Gas Induction, Jet Loop Reactors, Nozzle Geometry}, doi = {10.1016/j.cherd.2017.06.027}, author = {Sharma, D.V.}, editor = {Patwardhan, A.W.} } @article {43961, title = {Examination into the taxonomic position of Bacillus thermotolerans Yang et al., 2013, proposal for its reclassification into a new genus and species Quasibacillus thermotolerans gen. nov., comb. nov. and reclassification of B. encimensis Dastager et al., }, journal = {Systematic and Applied Microbiology}, year = {2017}, month = {SEP}, type = {Article}, abstract = {Two novel Gram-staining positive, rod-shaped, moderately halotolerant, endospore forming bacterial strains 5.5LF 38TD and 5.5LF 48TD were isolated and taxonomically characterized from a landfill in Chandigarh, India. The analysis of 16S rRNA gene sequences of the strains confirmed their closest identity to Bacillus thermotolerans SgZ-8T with 99.9\% sequence similarity. A comparative phylogenetic analysis of strains 5.5LF 38TD, 5.5LF 48TD and B. thermotolerans SgZ-8(T) confirmed their separation into a novel genus with B. badius and genus Domibacillus as the closest phylogenetic relatives. The major fatty acids of the strains are iso-C15:0 and iso-C16:0 and MK-7 is the only quinone. The major polar lipids are diphosphatidylglycerol, phosphatidylglycerol and phosphatidylethanolamine. The digital DNA-DNA hybridization (DDH) and ortho average nucleotide identity (ANI) values calculated through whole genome sequences indicated that the three strains showed low relatedness with their phylogenetic neighbours. Based on evidences from phylogenomic analyses and polyphasic taxonomic characterization we propose reclassification of the species B. thermotolerans into a novel genus named Quasibacillus thermotolerans gen. nov., comb. nov with the type strain SgZ-8(T) (=CCTCC AB2012108(T)=KACC 16706(T)). Further our analyses also revealed that B. encimensis SGD-V-25(T) is a later heterotypic synonym of Bacillus badius DSM 23(T).}, doi = {10.1016/j.syapm.2017.07.010}, author = {Verma, Ashish and Pal, Yash and Khatri, Indu and Ojha, Anup Kumar and Gruber-Vodicka, Harald and Schumann, Peter and Dastager, Syed Gulam and Subramanian, Srikrishna and Mayilraj, Shanmugam and Krishnamurthi, Srinivasan} } @article {43568, title = {Expeditious and solvent-free nickel-catalyzed C-H arylation of arenes and indoles}, journal = {ChemSusChem}, volume = {10}, year = {2017}, month = {APR}, pages = {2242-2248}, type = {Article}, abstract = {An efficient solvent-free nickel-catalyzed method for C-H bond arylation of arenes and indoles has been developed, which proceeds expeditiously through chelation assistance. The reaction is highly selective for mono-arylation and tolerates sensitive and structurally diverse functionalities, such as halides, ethers, amines, indole, pyrrole and carbazole. This reaction represents the first example of a nickel-catalyzed C-H arylation by monochelate assistance and symbolizes a rare precedent in solvent-free C-H arylation. Mechanistic investigations by various controlled reactions, kinetic studies, and deuterium labeling experiments suggest that the arylation follows a single electron transfer (SET) pathway involving the turnover-limiting C-H nickelation process.}, doi = {10.1002/cssc.201700321}, author = {Jagtap, Rahul A. and Soni, Vineeta and Punji, Benudhar} } @article {45731, title = {Exploration of amination reactions on highly extendable active sites of Pd(II)-3-allylsalicylaldiminophenol (ASIP) complex over thiofunctionalized SBA-15}, journal = {Microporous and Mesoporous Materials}, volume = {242}, year = {2017}, month = {APR}, pages = {173-181}, type = {Article}, abstract = {

An effective and impressive heterogeneous catalyst, Pd(II)-3-allylsalicylaldiminophenol-SBA-15, dubbed as Pd(II)ASIP@SBA-15, for amination reactions of aryl halides to synthesize secondary amines (2), has been synthesized and characterized. Pd(II)ASIP@SBA-15 has been synthesized by the covalent anchoring of 3-allylsalicylaldehyde over thiofunctionalized SBA-15, then further reaction with 2-aminophenol, followed by metallation process by using Pd(11)(OAc)(2). A specifically designed cheap and easily available organic ligand, 3-allylsalicylaldiminophenol (ASIP), was synthesized from 3-allylsalicylaldehyde and 2-aminophenol. Using this, the synthesis of Pd(II)ASIP@SBA-15 was carried out whereby the ligand providing an active co-ordination or chelating sites for palladium metal. This strategy helped in exposing the Pd(11)ASIP active sites from surface to channels of SBA-15 support during the reactions. The synthesized catalyst were characterized by CHN analysis, PXRD, Nitrogen sorption analyses, TG \& DTA, FTIR, C-13 and Si-29 CPMASS NMR spectra, XPS, UV-Visible, SEM, EDAX and TEM. Pd(II)ASIP@SBA-15 catalyst was screened in heterogeneous amination reactions of aryl halides to produce N-aryl derivatives or secondary amines with high catalytic activity as revealed by turn over frequency (TOF) calculations. To explore the heterogeneous nature of catalysts, amination reactions were carried with neat Pd(II)ASIP complex and Pd(11)(OAc)(2) catalysts. The catalyst was recycled several times without much loss of activity and Sheldon hot filtration test has been performed. (C) 2017 Elsevier Inc. All rights reserved.

}, keywords = {Amination Reactions, heterogeneous catalysis, Reusable, Supported catalysis}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2017.01.026}, author = {Lazar, Anish and Vinod, C. P. and Singh, A. P.} } @article {43993, title = {Exploring the gem-dimethyl effect in the formation of imine-based macrocycles and cages}, journal = {New Journal of Chemistry}, volume = {17}, year = {2017}, month = {JUL}, pages = {8721-8724 }, type = {Article}, abstract = {Using the gem-dimethyl effect as a platform, a variety of organic [2+2] macrocycles and [2+3] cofacial cages was obtained in high yields. Imine-based macrocyclization could be performed even at high concentrations (0.5 to 1.0 M), via instant mixing of aldehydes and amines.}, doi = {10.1039/C7NJ02069D}, author = {Madhu, Suresh and Rashmi, E. V. and Gonnade, Rajesh Ghanshyam and Sanjayan, Gangadhar J.} } @article {43837, title = {Exploring the influence of shapes and heterogeneity of glyco-gold nanoparticles on bacterial binding for preventing infections}, journal = {Chemmedchem}, volume = {12}, year = {2017}, month = {JUL}, pages = {1116-1124}, type = {Article}, abstract = {To investigate the effects of the heterogeneity and shape of glyco-nanoprobes on carbohydrate-protein interactions (CPIs), alpha-d-mannose-and beta-d-galactose-linked homo-and heterogeneous glycodendrons were synthesized and immobilized on spherical and rod-shaped gold nanoparticles (AuNPs). Lectin and bacterial binding studies of these glyco-AuNPs clearly illustrate that multivalency and shape of AuNPs contribute significantly to CPIs than the heterogeneity of glycodendrons. Finally, bacterial infection of HeLa cells was effectively inhibited by the homogeneous glycodendron-conjugated rod-shaped AuNPs relative to their heterogeneous counterparts. Overall, these results provide insight into the role of AuNP shape and multivalency as potential factors to regulate CPIs.}, doi = {10.1002/cmdc.201700218}, author = {Toraskar, Suraj and Gade, Madhuri and Sangabathuni, Sivakoti and Thulasiram, Hirekodathakallu V. and Kikkeri, Raghavendra} } @article {44119, title = {Exploring the role of GS-GOGAT cycle in microcystin synthesis and regulation - a model based analysis}, journal = {Molecular Biosystems}, volume = {13}, year = {2017}, month = {DEC}, pages = {2603-2614}, type = {Article}, abstract = {Toxic cyanobacteria blooms populate water bodies by consuming external nutrients and releasing cyanotoxins that are detrimental for other aquatic species, producing a significant impact on the plankton ecosystem and food web. To exercise population-level control of toxin production, understanding the biochemical mechanisms that explain cyanotoxin regulation within a bacterial cell is of utmost importance. In this study, we explore the mechanistic events to investigate the dependence of toxin microcystin on external nitrogen, a known regulator of the toxin, and for the first time, propose a kinetic model that analyzes the intracellular conditions required to ensure nitrogen dependence on microcystin. We hypothesize that the GS-GOGAT cycle is manipulated by variable influx of different intracellular metabolites that can either disturb or promote the balance between the enzyme microcystin synthetase and substrate glutamate to produce variable microcystin levels. As opposed to the popular notion that nitrogen starvation increases microcystin synthesis, our analyses suggest that under certain intracellular metabolite regimes, this relationship can either be completely lost or reversed. External nitrogen can only complement the conditions fixed by intracellular glutamate, glutamine and 2-oxoglutarate. This mechanistic understanding can provide an experimentally testable hypothesis for exploring the less-known biology of microcystin synthesis and designing specific interventions.}, doi = {10.1039/c7mb00342k}, author = {Banerjee, Swarnendu and Subramanian, Abhishek and Chattopadhyay, Joydev and Sarkar, Ram Rup} } @article {45698, title = {Extraction of the very high tunneling current and extremely stable emission current from GdB6/W-tip source synthesized using arc plasma}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {JAN}, pages = {562-566}, type = {Article}, abstract = {

Herein, we report the one step arc plasma synthesis of the GdB6 (Gadolinium hexaboride) nanoparticles and its field emission (FE) characteristics on tungsten point substrate (GdB6/ W). The SEM /TEM analysis revealed the GdB6 nanoparticles on W point substrate exhibit irregular shaped, grainy, dense, course morphology, i.e. uniformly covering the entire tip substrate surface. For GdB6/W point source, the values of the turn-on and threshold fields, defined as field required to draw an emission current density similar to 1 mA/cm(2) and similar to 100 mA/cm(2), respectively are found to be similar to 2.2 and similar to 2.7 V/mm, for anodecathode separation of similar to 1 mm. Interestingly, a very high emission current density of similar to 3.5 A/cm(2) has been drawn from the GdB6/W point emitter at relatively lower applied field of similar to 6.4 V/mm. The field enhancement factor found to be similar to 10,250. The GdB6/W point electron source exhibits a good emission current stability at similar to 10 mA for a period of 6 hr. The emission current stability is enumerated in terms of standard deviation and its magnitude has been measured to be only 1.72\% with respect to the average value. The superlative field emission characteristics signify the GdB6/W point electron source as potential candidates for vacuum micro/nanoelectronics device applications.

}, keywords = {Arc Plasma, field emission, Thin films}, issn = {2365-6549}, doi = {10.1002/slct.201601587}, author = {Suryawanshi, Sachin R. and Kanhe, Nilesh and Mathe, Vikas L. and Phase, Deodatta M. and Late, Dattatray J. and More, Mahendra A.} } @article {43970, title = {Fabrication, characterization and comparison of DSSC using anatase TiO 2 synthesized by various methods}, journal = {Advanced Powder Technology}, year = {2017}, month = {SEP}, type = {Article}, abstract = {In this study, anatase TiO2 nanoparticles were synthesized by three techniques, namely, sol-gel, acid-base co-catalyst and room temperature colloidal methods. The synthesized materials were characterized by X-ray diffraction, scanning electron microscopy, pore diameter, pore volume and surface area. The dye-sensitized solar cells were fabricated using the synthesized materials and characterized for incident photon to current conversion efficiency, photocurrent density to photo voltage measurement and electrochemical impedance analysis. Among the studied materials, TiO2 synthesized by sol-gel method displayed highest photon to current conversion of 76.8\% and a maximum solar cell efficiency of 7.85\% with Jsc of 14.75mA/cm{\texttwosuperior}, Voc of 0.76V and FF of 0.7. This is the first study to report a high power conversion efficiency of DSSC using a sol-gel synthesized titania and its comparison with other two synthesized materials. The high power conversion efficiency of the solar cell using TiO2 synthesized by sol-gel method is attributed to its characteristic properties such high surface area, larger pore diameter and larger pore volume and highest dye loading capacity.}, doi = {10.1016/j.apt.2017.08.012}, author = {Umale, Sanjivani V. and Tambat, Sneha N. and Vediappan, Sudhakar and Sontakke, Sharad M. and Krishnamoorthy, Kothandam} } @article {44177, title = {Facile one-pot multi-component synthesis of spirooxindoles and 3, 3 {\textquoteleft}-disubstituted oxindoles via sp(3) C-H activation/functionalization of azaarenes}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {SEP}, pages = {9147-9152}, type = {Article}, abstract = {

A novel one-pot multicomponent reaction (MCR) protocol has been demonstrated for the first time for sustainable and facile synthesis of spirooxindoles and 3, 3 {\textquoteleft}-disubstituted oxindoles in an excellent yield via sp(3) C-H activation/functionalization of 2-methyl azaarenes and (2-azaaryl)methanes with isatin, active methylene compounds using eco-friendly heterogeneous, reusable silica-supported dodecatungstophosphoric acid (DTP/SiO2) catalyst.

}, keywords = {3, 3{\textquoteright}-disubstituted oxindoles, azaarenes, silica-supported dodecatungstophosphoric acid (DTP/SiO2) catalyst, sp(3) C-H activation/functionalization, spirooxindoles}, issn = {2365-6549}, doi = {10.1002/slct.201701507}, author = {Pathan, Mohsinkhan Y. and Chavan, Santosh S. and Shaikh, Taufeekaslam M. Y. and Thorat, Shridhar H. and Gonnade, Rajesh G. and Mulla, Shafeek A. R.} } @article {43487, title = {Facile one-pot synthesis of aliphatic bridged diaryloxy compounds, cyclic and crown ethers under mild conditions}, journal = {Supramolecular Chemistry}, volume = {29}, year = {2017}, month = {JAN}, pages = {462-470}, abstract = {We report here the facile, room temperature, catalyst free, one pot synthesis of aliphatic bridged diaryloxy compounds, cyclic and crown ethers. Anhydrous potassium carbonate (K2CO3) as a mild base along with dimethyl sulfoxide generates the phenoxide ion which facilitates the nucleophilic substitution of bromoalkanes to yield the corresponding crown ethers.}, doi = {10.1080/10610278.2016.1267858}, author = {Sakate, Sachin and Kamble, Sumit and Chikate, Rajiv and Rode, Chandrashekhar} } @article {44015, title = {Facile synthesis and electrochemical evaluation of PANI/CNT/MoS2 ternary composite as an electrode material for high performance supercapacitor}, journal = {Materials Science and Engineering B: Solid-State Materials for Advanced Technology}, volume = {23}, year = {2017}, month = {SEP}, pages = { 24-34}, type = {Journal Article}, abstract = {Synthesis of a novel ternary composite consisting of polyaniline (PANI), functionalized multi-walled carbon nanotubes (CNTs) and molybdenum disulfide (MoS2), via an in-situ polymerization method is reported. Detailed structural and electrochemical characterization shows that incorporation of a small amount of MoS2 in PANI/CNT composite tends to eliminate agglomeration problem of CNT. The PANI/CNT/MoS2 ternary composite reaches a specific capacitance of 350 F/g at the current density 1 A/g corresponding to a 5\% MoS2 content. This ternary composite shows good cycling stability even at a higher energy density of 10 A/g. Further, PANI/CNT/MoS2 composite electrode shows higher energy density (7.77 Wh/kg) and power density (2140 W/kg) as compared to PANI/CNT composite without MoS2.}, keywords = {MoS2, polyaniline, supercapacitor, Ternary Composite}, doi = {10.1016/j.mseb.2017.05.001}, author = {Thakur, A.K. and Deshmukh, A. B. and Choudhary, R. B. and Karbhal, I. and Majumder, M. and Shelke, M.V.} } @article {43849, title = {Facile synthesis and self-cleaning application of bimetallic (CuSn, CuNi) dendrites}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {JUL}, pages = {5552-5563}, type = {Article}, abstract = {

Bimetallic dendrites (Au, Ag, Pt, Pd) have received intense research interest due to their applications in catalysis and sensing. However, reports on rational synthesis of non-noble bimetallic dendrites that finds self-cleaning applications are scanty. Here, we demonstrate one step co-reduction based galvanic replacement reaction (GRR) for synthesis of alloyed bimetallic dendrites (CuSn, CuNi) with controlled surface roughness and chemical composition. Probing their growth process reveals that i) for CuSn dendrites, co-reduction of Cu2+ and Sn2+ is observed throughout GRR; ii) for CuNi dendrites, Cu nanoparticle, that deposits initially, augments the reduction of Ni2+ which leads to CuNi alloy phase formation during later stages of GRR. These dendrites, naturally having dual degree of surface roughness (micro/nano), have been exploited here for fabricating superhydrophobic surfaces (SHS) with excellent self-cleaning abilities. They show enabling properties such as high contact angle, minimal contact angle hysteresis, and excellent Cassie state stability with no impalement. They maintain superhydrophobicity when exposed to different environmental conditions (low temperature, high temperature, exposure to corroding solutions and UV radiation). The present facile methodology for fabrication of bimetallic dendrites is beneficial for low-cost production of functional nano/micro-materials.

}, doi = {10.1002/slct.201700763}, author = {Biswas, Anupam and Kulkarni, Mayuresh A. and Bakthavatsalam, Rangarajan and Mondal, Sourik K. and Dwivedi, Pravin K. and Shelke, Manjusha V. and Devi, Radhamonyamma N. and Banpurkar, Arun G. and Kundu, Janardan} } @article {43335, title = {Facile synthesis of 3D anode assembly with Si nanoparticles sealed in highly pure few layer graphene deposited on porous current collector for long life Li-Ion battery}, journal = {Advanced Materials Interfaces}, volume = {4}, year = {2017}, month = {MAR}, pages = {Article Number: 1601043}, type = {Article}, abstract = {With its exceptional theoretical charge capacity, silicon holds great promise as an anode material for realization of high energy density Li-ion batteries. However, extensive volume expansion and poor cycle stability of silicon compromise its actual use. In an effort to tame volume expansion and structural disintegration during cycling, an innovative 3D electrode assembly is fabricated involving continuous layer of graphene coated on porous current collector and Si nanoparticles sealed in as an active material. Graphene deposition and pore formation in metal current collector is achieved in a unique single step synthesis. All the active components like current collector, reacting material, and conducting material are manipulated in a way to produce synergistic architecture in a chemical vapor deposition process. Highly pure graphene deposited in this process enables efficient electron transfer from allover of the surface of silicon nanoparticles and prevents continuous solid electrolyte interphase layer formation. This binder free anode assembly shows extremely stable lithium storage performance for over 1000 cycles with 88\% of initial capacity retention and 100\% Coulombic efficiency.}, doi = {10.1002/admi.201601043}, author = {Shelke, Manjusha V. and Gullapalli, Hemtej and Kalaga, Kaushik and Rodrigues, Marco and Devarapalli, Rami Reddy and Vajtai, Robert and Ajayan, Pulickel M.} } @article {44158, title = {Facile synthesis of unique cellulose triacetate based flexible and high performance gel polymer electrolyte for lithium ion batteries}, journal = {ACS Applied Materials \& Interfaces}, volume = {9}, year = {2017}, month = {OCT}, pages = {34773-34782}, type = {Article}, abstract = {Lithium ion batteries (LIBs) with polymer based electrolytes have attracted enormous attention due to the possibility of fabricating intrinsically safer and flexible devices. However, economical and eco-friendly sustainable technology is an oncoming challenge to fulfill the ever increasing demand. To circumvent this issue, we have developed a gel polymer electrolyte (GPE) based on renewable polymers like cellulose triacetate and poly (polyethylene glycol methacrylate) p(PEGMA) using a photo polymerization technique. Cellulose triacetate offers good mechanical strength with improved ionic conductivity, owing to its ether and carbonyl functional groups. It is observed that the presence of an open network has a critical impact on lithium ion transport. At room temperature, GPE PC exhibits an optimal ionic conductivity of 1.8 x 10(-3) S cm(-1) and transference number of 0.7. Interestingly, it affords an excellent electrochemical stability window up to 5.0 V vs Li/Li+. GPE PC shows a discharge capacity of 164 mAhg(-1) after the first cycle when evaluated in a Li/GPE/LiFePO4 cell at 0.5 C-rate. Interfacial compatibility of GPE PC with lithium metal improves the overall cycling performance. This system provides a guiding principle toward a future renewable and flexible electrolyte design for flexible LIBs (FLIBs).}, doi = {10.1021/acsami.7b07020}, author = {Nirmale, Trupti C. and Karbhal, Indrapal and Kalubarme, Ramchandra S. and Shelke, Manjusha V. and Varma, Anjani J. and Kale, Bharat B.} } @article {43705, title = {Facile synthesis of ZnO-Ag nanocomposite and its photocatalytic activity}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {MAY}, pages = {Article Number: 055011}, type = {Article}, abstract = {

The evolution of photoactive hybrid materials (e.g. noble metal-semiconductor) has resulted in heterogeneous photocatalysis. We report a facile route for the synthesis of ZnO-Ag nanocomposites with varying percentage of loading of the noble metal, expecting a great boost in the photocatalytic behavior of ZnO. The as prepared material was thoroughly characterized by UV-Vis, FTIR, TEM, FESEM, XRD, XPS analyses. The photocatalytic activities of the nanocomposites have been assessed from the ability to degrade methylene blue dye in aqueous solution. The results suggest that incorporation of Ag nanoparticles on the surface of ZnO particles can enhance catalytic activity in comparison to pure ZnO particles under visible light by minimizing the recombination of photogenerated electron-hole pairs.

}, doi = {10.1088/2053-1591/aa6df1}, author = {Sardar, Debasmita and Maity, Jayeta and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {43956, title = {Facile synthesis of β-functionalized {\textquotedblleft}push-pull{\textquotedblright} Zn(II) porphyrins for DSSC applications}, journal = {Dyes and Pigments}, volume = {147}, year = {2017}, month = {DEC}, pages = {56-66}, type = {Journal Article}, abstract = {

Three new β-substituted {\textquotedblleft}push-pull{\textquotedblright} Zn(II) porphyrin dyes with various electron donors at meso-positions and cyanoacetic acid as acceptor at β-position have been designed and synthesized. These porphyrins have been characterized by UV-Vis, Fluorescence, 1H NMR and 13C NMR spectroscopic techniques and cyclic voltammetric studies. The Soret and Q band of Zn(II) porphyrin dyes were found to be red-shifted (30{\textendash}35 nm) as compared to ZnTPP. The fluorescence quenching and the decrement in quantum yield and lifetime suggest intramolecular charge transfer from donor to acceptor. Zn porphyrins exhibited anodic shift in their first redox potentials (0.03{\textendash}0.11 V) as compared to ZnTPP. The HOMO-LUMO energy levels of Zn porphyrin dyes were compared with the conduction band of TiO2 and the electrolyte I-/I3 -. The HOMO levels of all the dyes are sufficiently higher than the energy level of electrolyte I-/I3 - and LUMO levels significantly lower than the conduction band of TiO2 which reflect the feasibility of facile electron-transfer. ZnT(Mes)P(CN-COOH) has been co-sensitized with N719 dye to further improve the PCE efficiency. These dyes displayed power conversion efficiency (PCE) of η = 1.72{\textendash}3.13\% where co-sensitized ZnT(Mes)P(CN-COOH) (N719) dye demonstrated maximum PCE efficiency up to 5.35\%, with a Jsc of 11.8 mA cm-2, a Voc of 630 mV and a fill factor (FF) of 72\% due to better light harvesting capacity.

}, keywords = {charge transfer, Conduction Bands, Cyanoacetic Acid, Electrolytes, Floorescence, Redox Reaction, zinc compounds}, doi = {10.1016/j.dyepig.2017.07.053}, author = {Prakash, K.}, editor = {Manchanda, S.} } @article {44110, title = {Fire-retardant, self-extinguishing inorganic/polymer composite memory foams}, journal = {ACS Applied Materials \& Interfaces}, volume = {9}, year = {2017}, month = {DEC}, pages = {44864-44872}, type = {Article}, abstract = {Polymeric foams used in furniture and automotive and aircraft seating applications rely on the incorporation of environmentally hazardous fire-retardant additives to meet fire safety norms. This has occasioned significant interest in novel approaches to the elimination of fire-retardant additives. Foams based on polymer nano composites or based on fire-retardant coatings show compromised mechanical performance and require additional processing steps. Here, we demonstrate a one-step preparation of a fire-retardant ice-templated inorganic/polymer hybrid that does not incorporate fire-retardant additives. The hybrid foams exhibit excellent mechanical properties. They are elastic to large compressional strain, despite the high inorganic content. They also exhibit tunable mechanical recovery, including viscoelastic "memory". These hybrid foams are prepared using ice-templating that relies on a green solvent, water, porogen. Because these foams are predominantly comprised of inorganic components, they exhibit exceptional fire retardance in torch burn tests and are self-extinguishing. After being subjected to a flame, the foam retains its porous structure and does not drip or collapse. In micro-combustion calorimetry, the hybrid foams show a peak heat release rate that is only 25\% that of a commercial fire-retardant polyurethanes. Finally, we demonstrate that we can use ice-templating to prepare hybrid foams with different inorganic colloids, including cheap commercial materials. We also demonstrate that ice-templating is amenable to scale up, without loss of mechanical performance or fire-retardant properties.}, doi = {10.1021/acsami.7b16808}, author = {Chatterjee, Soumyajyoti and Shanmuganathan, Kadhiravan and Kumaraswamy, Guruswamy} } @article {43357, title = {General nickel-catalyzed method for C-H bond alkynylation of heteroarenes through chelation assistance}, journal = {Chemistry - A European Journal}, volume = {23}, year = {2017}, month = {FEB}, pages = {2907-2914}, abstract = {

A general nickel-catalyzed method for the alkynylation of heteroarenes through monodentate chelation assistance is described. Many heterocycles, including indoles, pyrroles, imidazoles and pyrazole, efficiently coupled with (triisopropylsilyl)alkynyl bromide, and synthetically important functional groups, such as halides, ether, nitrile, nitro were tolerated. Synthetic applicability of this Ni-catalyzed method is demonstrated by the removal of triisopropylsilyl (-SiiPr$_{3}$) group, and further functionalization into triazolyl, benzofuranyl and alkynyl arene derivatives. Preliminary mechanistic investigations on the alkynylation of indole suggest that the reaction proceeds through kinetically relevant C-H activation and follows the two-electron redox pathway. A catalytically competent Ni-species, [(Phen)$_{3}$Ni].NiBr$_{4}$ has been isolated and structurally characterized.

}, doi = {10.1002/chem.201605306}, author = {Punji, Benudhar and Khake, Shrikant manmathappa and Soni, Vineeta and Gonnade, Rajesh Ghanshyam} } @article {43918, title = {Genetic programming based drag model with improved prediction accuracy for fluidization systems}, journal = {International journal of Chemical Reactor Engineering}, volume = {15}, year = {2017}, month = {APR}, issn = {2016-0210}, doi = {10.1515/ijcre-2016-0210}, author = {Sonolikar, R. R. and Patil, M. P. and Mankar, R. B. and Tambe, S. S. and Kulkarni, B. D.} } @article {43896, title = {Genetic variability in Indian populations of banana corm weevil [Cosmopolites sordidus (Coleoptera: Curculionidae)] assessed by RAPDs and AFLPs}, journal = {International Journal of Tropical Insect Science}, volume = {37}, year = {2017}, month = {SEP}, chapter = {149-162}, abstract = {

Cosmopolites sordidus (Germar), commonly known as banana corm weevil, is an important economic pest in Asia that can cause severe yield loss depending upon the stage at which infestation occurs. In spite of its economic importance, little is known about the population structure of this pest in India. Random amplified polymorphic DNA (RAPD) and amplified fragment length polymorphism (AFLP) were used to characterize the population genetic structure of C. sordidus collected from five hot spot locations in India. Nineteen RAPD primers and five selective AFLP primer combinations generated 147 and 304 amplification products, respectively. UPGMA dendrograms generated with both marker systems failed to reveal populations clustered based on geographic distance, which was confirmed by the Mantel test, which did not show a strong correlation between genetic distance and geographic distance. Values of indices of genetic identity showed that the populations were closely related. Though the gene flow estimate (Nm) between the populations was 0.469, suggesting restricted gene flow, the populations are not genetically distinct. These observations suggest that the range expansion of this banana pest in India has taken place through transport of infested corms and plant material, resulting in genetically close populations that are geographically distinct. These results provide important information on the population structure of this pest in India, which will aid in designing suitable strategies for its control and management, especially with respect to insecticide resistance.

}, keywords = {Aflps, Arbitrary Primers, Bemisia-tabaci, Cosmopolites Sordidus, diversity, Genetic diversity, Germar Coleoptera, insecticide resistance, Markers, Musa Spp., Pcr, Rapds, Restricted Gene Flow Natural-populations, Scirpophaga-incertulas}, doi = {10.1017/S1742758417000108}, author = {Yadav, Sweta Kumari U. and Singh, Jyotsna and Padmanaban, B. and Kumar, Lalitha Sunil} } @article {45820, title = {Genome-wide identification and tissue-specific expression analysis of nucleotide binding site-leucine rich repeat gene family in Cicer arietinum (kabuli chickpea)}, journal = {Genomics Data}, volume = {14}, year = {2017}, month = {DEC}, pages = { 24-31}, type = {Article}, abstract = {The nucleotide binding site-leucine rich repeat (NBS-LRR) proteins play an important role in the defense mechanisms against pathogens. Using bioinformatics approach, we identified and annotated 104 NBS-LRR genes in chickpea. Phylogenetic analysis points to their diversification into two families namely TIR-NBS-LRR and non-TIR-NBS-LRR. Gene architecture revealed intron gain/loss events in this resistance gene family during their independent evolution into two families. Comparative genomics analysis elucidated its evolutionary relationship with other fabaceae species. Around 50\% NBS-LRRs reside in macro-syntenic blocks underlining positional conservation along with sequence conservation of NBS-LRR genes in chickpea. Transcriptome sequencing data provided evidence for their transcription and tissue-specific expression. Four cis-regulatory elements namely WBOX, DRE, CBF, and GCC boxes, that commonly occur in resistance genes, were present in the promoter regions of these genes. Further, the findings will provide a strong background to use candidate disease resistance NBS-encoding genes and identify their specific roles in chickpea.}, issn = {22135960}, doi = {10.1016/j.gdata.2017.08.004}, author = {Sharma, R. and ,Rawat, V. and Suresh, C.G.} } @article {43839, title = {Glucosylation of smoke-derived volatiles in grapevine (vitis vinifera) is catalyzed by a promiscuous resveratrol/guaiacol glucosyltransferase}, journal = {Journal of Agricultural and Food Chemistry}, volume = {65}, year = {2017}, month = {JUL}, pages = {5681-5689}, type = {Article}, abstract = {Vinification of grapes (Vitis vinifera) exposed to forest fire smoke can yield unpalatable wine due to the presence of taint compounds from smoke and the release of smoke derived volatiles from their respective glycosides during the fermentation process or in-mouth during consumption. To identify glycosyltransferases (GTs) involved in the formation of glycosidically bound smoke-derived volatiles we performed gene expression analysis of candidate GTs in different grapevine tissues. Second, substrates derived from bushfire smoke or naturally occurring in grapes were screened with the candidate recombinant GTs. A resveratrol GT (UGT72B27) gene, highly expressed in grapevine leaves and berries was identified to be responsible for the production of the phenolic glucosides. UGT72B27 converted the stilbene trans-resveratrol mainly to the 3-O-glucoside. Kinetic analyses yielded specificity constants (k(cat)/K-m) of 114, 17, 9, 8, and 2 mM(-1) s(-1) for guaiacol, trans-resveratrol, syringol, methylsyringol, and methylguaiacol, respectively. This knowledge will help to design strategies for managing the risk of producing smoke-affected wines.}, doi = {10.1021/acs.jafc.7b01886}, author = {Haratl, Katja and Huang, Fong-Chin and Giri, Ashok P. and Franz-Oberdorf, Katrin and Frotscher, Johanna and Shao, Yang and Hoffmann, Thomas and Schwab, Wilfried} } @article {43959, title = {Gold nanoconjugates reinforce the potency of conjugated cisplatin and doxorubicin}, journal = {Colloids and Surfaces B: Biointerfaces}, volume = {160}, year = {2017}, month = {DEC}, pages = {254-264}, type = {Journal Article}, abstract = {Osteosarcoma or osteogenic sarcoma is the most common and prevalent cancerous tumor of bone and occurs especially in children and teens. Recent treatment strategy includes a combination of both chemotherapy and surgeries. Although, the use of single drug-based chemotherapy treatment remains unsatisfactory. Therefore, combinatorial therapy has emerged as a potential strategy for treatment with limited side- effects. Here, we evaluated the combinatorial anticancerous effect of cisplatin (CIS) and doxorubicin (DOX) bioconjugated bromelain encapsulated gold nanoparticles (B-AuNPs conjugated CIS and DOX) in the treatment of osteosarcoma. The synthesized B-AuNPs conjugated CIS and DOX were characterized by various characterization techniques like UV{\textendash}vis spectroscopy, TEM, DLS and zeta potential to ensure the synthesis, size, shape, size distribution and stability. Drug loading efficiency bioconjugation of CIS and DOX was ensured by UV{\textendash}vis spectroscopy. Bioconjugation of CIS and DOX was further confirmed using UV{\textendash}vis spectroscopy, TEM, DLS, Zeta potential and FT-IR analysis. The combinatorial effect of CIS and DOX in B-AuNPs conjugated CIS and DOX showed highly improved potency against MG-63 and Saos-2 cells at a very low concentration where primary osteoblasts didn{\textquoteright}t show any cytotoxic effect. The apoptotic effect of B-AuNPs conjugated CIS and DOX on osteosarcoma and primary osteoblasts cells were analyzed by increased permeability of the cell membrane, condensed chromatin and deep blue fluorescent condensed nucleus. The results clearly showed that B-AuNPs conjugated CIS and DOX significantly improved the potency of both the chemotherapeutic drugs by delivering them specifically into the nucleus of cancer cells through caveolae-dependent endocytosis. Thus, the greater inhibitory effect of combinatorial drugs (B-AuNPs conjugated CIS and DOX) over single drug based chemotherapy would be of great advantage during osteosarcoma treatment. }, keywords = {cells, chemotherapy, Cytology, Cytotoxicity, Drug interactions, dynamic light scattering, Gold, Molecular Biology, Platinum Compounds}, doi = {10.1016/j.colsurfb.2017.09.017}, author = {Iram, S.}, editor = {Zahera, M.} } @article {43867, title = {Gold-catalyzed dehydrazinative C(sp)-S coupling reactions of arylsulfonyl hydrazides with ethynylbenziodoxolones for accessing alkynyl sulfones}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {JUN}, pages = {3512-3515}, type = {Article}, abstract = {A gold(III)-catalyzed dehydrazinative coupling reaction between arylsulfonyl hydrazides and ethynylbenziodoxolone reagents was realized for the synthesis of alkynyl sulfones. The scope and versatility of the reaction were demonstrated by the efficient synthesis of 23 derivatives with diverse structural features.}, doi = {10.1002/ejoc.201700524}, author = {Shinde, Popat S. and Patil, Nitin T.} } @article {45760, title = {Grafoil-scotch tape-derived highly conducting flexible substrate and its application as a supercapacitor electrode}, journal = {Nanoscale}, volume = {9}, year = {2017}, month = {MAR }, pages = {3593-3600}, type = {Article}, abstract = {

Development of flexible supercapacitors is limited by the availability of flexible and durable conducting substrates; a conducting and cheap substrate for the active material deposition is essential for breakthrough progress in this direction. In this report, a highly flexible, conducting, and cheap substrate is prepared by simple stick and peel-off method involving Scotch tape and Grafoil. A Grafoil-Scotch tape derived flexible substrate exhibits a sheet resistance of 7 Omega square(-1) along with a high degree of flexibility and durability. Moreover, its properties are further enhanced by the anodization in order to increase the hydrophilicity and surface area. The substrate is highly thin with a thickness of just 74 mu m. Its practical utility has been demonstrated by electrodepositing MnO2 as an active material and, thereafter, fabricating a solid-state flexible supercapacitor. The fabricated device exhibits high capacitance retention under bent (99\%) and twisted (98\%) conditions along with a low ESR of 7 Omega.

}, issn = {2040-3364}, doi = {10.1039/c7nr00281e}, author = {Soni, Roby and Raveendran, Alka and Kurungot, Sreekumar} } @article {44154, title = {H-Bonding assisted self-assembly of anionic and neutral ligand on metal: a comprehensive strategy to mimic ditopic ligands in olefin polymerization}, journal = {Inorganic Chemistry}, volume = {56}, year = {2017}, month = {OCT}, pages = {12448-12456}, type = {Article}, abstract = {Self-assembly of two neutral ligands on a metal to mimic bidentate ligand coordination has been frequently encountered in the recent past, but self-assembly of an anionic ligand on a metal template alongside a neutral ligand remains an elusive target. Such a self-assembly is hampered by additional complexity, wherein a highly negatively charged anion can form intermolecular hydrogen bonding with the supramolecular motif, leaving no scope for self-assembly with neutral ligand. Presented here is the self-association of anionic ligand 3-ureidobenzoic acid (2a) and neutral ligand 1-(3-(diphenylphosphanyl)phenyl)urea (1a) on a metal template to yield metal complex [{COOC6H4-NH(CO)NH2}{Ph2PC6H4NH(CO)NH2}PdMeDMSO] (4a). The identity of 4a was established by NMR and mass spectroscopy. Along the same lines, 3-(3-phenylureido)benzoic acid (2b) and 1-(3-(diphenylphosphanyl)phenyl)-3-phenylurea (1b) self-assemble on a metal template to produce palladium complex [{COOC6H4NH(CO)NHPh}{Ph2PC6H4NH(CO)NHPh}PdMePy] (5c). The existence of 5c was confirmed by Job plot, 1-2D NMR spectroscopy, deuterium labeling, IR spectroscopy, UV-vis spectroscopy, model complex synthesis, and DFT calculations. These solution and gas phase investigations authenticated the presence of intramolecular hydrogen bonding between hydrogen{\textquoteright}s of 1b and carbonyl oxygen of 2b. The generality of the supramolecular approach has been validated by preparing six complexes from four monodentate ligands, and their synthetic utility was demonstrated in ethylene polymerization. Complex 4a was found to be the most active, leading to the production of highly branched polyethylene with a molecular weight of 55700 g/mol and melting temperature of 112 degrees C.}, doi = {10.1021/acs.inorgchem.7b01923}, author = {Mote, Nilesh R. and Patel, Ketan and Shinde, Dinesh R. and Gaikwad, Shahaji R. and Koshti, Vijay S. and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {43509, title = {Helical preorganization of molecules drives solid-state intermolecular acyl-transfer reactivity in crystals: structures and reactivity studies of solvates of racemic 2,6-Di-O-(4-fluorobenzoyl)-myo-inositol 1,3,5-orthoformate}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {JAN}, pages = {117-126}, abstract = {Racemic 2,6-di-O-(4-fluorobenzoyl)-myo-inositol 1,3,5-orthoformate yielded structurally dissimilar solvent-free and solvated crystals depending upon the solvent of crystallization. The solvated crystals exhibited helical assembly of host molecules, due to the interaction of the guest molecules with the orthoformate moiety of the host. Some of the solvates showed specific but incomplete benzoyl group transfer reactivity below the phase transition temperature, whereas the reaction in solvent-free crystals led to a mixture of several products. These results reveal the necessity of helical molecular packing of the reacting molecules in their crystals to facilitate specific intermolecular acyl transfer reactivity. The crystal, structures of the fluorobenzoate solvates were similar to those of the solvates of the analogous chloro and bromobenzoates. The latter could be thermally :transformed into their solvent-free form via melt crystallization, resulting in the conversion of a helical molecular packing into a nonhelical molecular packing.}, doi = {10.1021/acs.cgd.6b01322}, author = {Krishnaswamy, Shobhana and Shashidhar, Mysore S. and Bhadbhade, Mohan M.} } @article {43778, title = {Heterogeneous route for transfer hydrogenation reactions of ketones using Ru(II)Cymene complex over modified benzene-organosilica (PMOB)}, journal = {Molecular Catalysis}, volume = {440}, year = {2017}, month = {OCT}, pages = {66-74}, type = {Article}, abstract = {An inorganic-organic hybrid catalyst, Ru(II)Cym@PMOB, was synthesized by anchoring of [Ru(II)Cl-2(Pcymene)](2) complex which is derived from a reaction between hydrated ruthenium(III) trichloride and ocphellandrene over aminofunctionalized benzene-organosilica (PMOB). In the context of secondary alcohol synthesis from ketones, transfer hydrogenation (TH) reactions are convenient compared to conventional hydrogenation reactions owing to its lower activation energy and ambient pressure and mild temperature reaction" conditions. The synthesized catalysts were characterized by CHN analysis, XRD, ICP, N-2-sorption analysis, TG \& DTA, FFIR,C-13 \& 29Si solid NMR, UV-vis, TEM, SEM and XPS. The catalytic activities of neat [Ru(II)C-12(p-cymene)]2 complex and Ru(II)Cym@PMOB were evaluated in transfer hydrogenation (TH) of ketones (-97\%) and compared with conventional hydrogenation reactions (-5\%) where molecular H-2 was used. The results showed Ru(II)Cym@PMOB as highly active catalyst towards transfer hydrogenation (TH) reaction of acetophenones compared to neat [Ru(II)Cl-2(p-cymene)(12) complex. The heterogeneity of Ru(II)Cym@PMOB was confirmed by Sheldon{\textquoteright}s test. (C) 2017 Elsevier B.V. All rights reserved.}, keywords = {Conventional Hydrogenation Reactions, Ru(II)Cym@PMOB, Transfer Hydrogenation Reaction, [Ru(II)Cl2(p-cymene)]2 complex}, doi = {10.1016/j.mcat.2017.07.018}, author = {Lazar, Anish and Silpa, S. and Prabhakaran, Vinod C. and Singh, A. P.} } @article {43850, title = {Hexaphosphate-derived phosphorus-functionalized carbon for lithium-ion battery anode}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {JUL}, pages = {5600-5607}, type = {Article}, abstract = {

We show that high-temperature annealing of a dried hexaphosphate, namely phytic acid, renders activated (micro-porous) and phosphorus-functionalized graphene like carbon in a one-step process. At high enough temperature few volatile phosphates serve as porogen-forming entities while other groups reactively functionalize the carbon surface. The optimized material has high effective surface area due to the presence of defect states. As an anode material for Li-ion battery, it exhibits a reversible capacity that is double that of the graphite and is stable for 1000 cycles even at a high current of 5 A g(-1). This result is attributed to the concurrent presence of micropores and phosphorus containing groups in the carbon matrix.

}, doi = {10.1002/slct.201700909}, author = {Gawli, Yogesh and Wahid, Malik and Fernandez, Rohan and Kothari, Dushyant and Shelke, Manjusha and Ogale, Satishchandra B.} } @article {43988, title = {High quality hybrid perovskite semiconductor thin films with remarkably enhanced luminescence and defect suppression via quaternary alkyl ammonium salt based treatment}, journal = {Advanced Materials Interfaces}, year = {2017}, month = {JUL}, type = {Article}, abstract = {Significant enhancement in the luminescence and superior photophysical properties of CH3NH3PbBr3 thin films prepared via simple single step spin coating process involving a novel additive mediated solvent extraction step is reported. This process results in significantly lower disorder in CH3NH3PbBr3 perovskites with Urbach energies reducing from ≈35 to ≈17 meV, which is the lowest reported value to date. The additive mediated process also results in a remarkable improvement in the photoluminescence quantum yields (PLQYs) from 1\% to 30\%. Coupled with the overall increase in surface roughness, a significant increase in the internal PLQY from 7\% to 77\% is estimated, indicating the superior quality of the treated thin films. The resultant high quality CH3NH3PbBr3 perovskites with remarkable photophysical properties can be used in realizing highly efficient optoelectronic devices. Highly efficient light emitting diodes using these perovskites are demonstrated here.}, doi = {10.1002/admi.201700562}, author = {Naphade, Rounak A. and Zhao, Baodan and Richter, Johannes M. and Booker, Edward and Krishnamurthy, Shrreya and Friend, Richard H. and Sadhanala, Aditya and Ogale, Satishchandra B.} } @article {44130, title = {High-level supercapacitive performance of chemically reduced graphene oxide}, journal = {Chem}, volume = {3}, year = {2017}, month = {NOV}, pages = {846-860}, type = {Article}, abstract = {Reduction of graphene oxide (GO) is an important process because it holds promise for the production of reduced graphene oxide (rGO) with physicochemical properties similar to those of pristine graphene. In conventional chemical reduction, strong reducing agents, such as sodium borohydride and hydrazine, cannot be recycled. Also, fast reaction kinetics bring an imbalance in the desirable properties of rGO. Here, we present one-pot chemical reduction of GO in aqueous medium by an unconventional mild reducing agent (FeCl2/HCl) where rGOis isolated as the precipitate and the reducing agent is recycled upon simple treatment of the filtrate with HCl. The fabricated all-solid-state supercapacitors of as-synthesized rGO exhibited significantly higher specific capacitance than those obtained with rGO derived from conventional reducing agents. The cycling stability of the all-solid-state supercapacitor (> 80\% retention of capacitance beyond 100,000 continued cycles) and its flexibility (> 500 bending cycles) were remarkable. Use of commercially available organic electrolyte further boosted the supercapacitor performance.}, doi = {10.1016/j.chempr.2017.08.011}, author = {Jha, Plawan Kumar and Singh, Santosh Kumar and Kumar, Vikash and Rana, Shammi and Kurungot, Sreekumar and Ballav, Nirmalya} } @article {43822, title = {Highly active recyclable SBA-15-EDTA-Pd catalyst for Mizoroki-Heck, Stille and Kumada C-C coupling reactions}, journal = {Journal of Porous Materials}, volume = {24}, year = {2017}, month = {AUG}, pages = {837-846}, type = {Article}, abstract = {Highly efficient SBA-15-EDTA-Pd(11) heterogeneous catalyst was synthesized by covalent anchoring Pd-EDTA complex over organo-modified surface of SBA-15. SBA-15-EDTA-Pd(11) catalyst was found to exhibit excellent catalytic activity in appreciable yield for Heck, Stille and Kumada cross-coupling reactions. Catalytic system exhibited excellent activity for completion of reaction, isolation, Pd loading (0.87 mmol\%) and yields of products as compared to earlier reported heterogeneous supported Pd catalysts. Covalently anchored heterogeneous SBA-15-EDTA-Pd(11) catalyst can be recycled for more than five times without noticeable loss in activity and selectivity.}, doi = {10.1007/s10934-016-0323-8}, author = {Rathod, Jayant and Sharma, Priti and Pandey, Punam and Singh, A. P. and Kumar, Pradeep} } @article {45695, title = {Hyaluronic acid layered chimeric nanoparticles: targeting MAPK-P13K signaling hub in colon cancer cells}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {NOV}, pages = {7868-7880}, type = {Article}, abstract = {

Colon cancer has emerged as one of the most devastating diseases in the whole world. Mitogen-activated protein kinase (MAPK)-phosphatidylinsitol-3-kinase (PI3K) signaling hub has gained lots of attention due to its deregulation in colon cancer cells. However, selective targeting of oncogenic MAPK-PI3K hub in colon cancer has remained highly challenging, hence it has mostly been unexplored. To address this, we have engineered a hyaluronic acid layered lipid-based chimeric nanoparticle (HA-CNP) consisting of AZD6244 (MAPK inhibitor), PI103 (PI3K inhibitor), and cisplatin (DNA impairing drug) ratiometrically in a single particle. Electron microscopy (field emission scanning electron microscopy and atomic force microscopy) and dynamic light scattering were utilized to characterize the size, shape, morphology, and surface charge of the HA-CNPs. Fluorescent confocal laser scanning microscopy and flow cytometry analysis confirmed that HA-CNPs were taken up by HCT-116 colon cancer cells by merging of clathrin and CD44 receptor-mediated endocytosis along with macropinocytosis to home into acidic organelles (lysosomes) within 1 h. A gel electrophoresis study evidently established that HA-CNPs simultaneously inhibited MAPK-PI3K signaling hub with DNA damage in HCT-116 cells. These HA-CNPs stalled the cell cycle into G0/G1 phase, leading to induction of apoptosis (early and late) in colon cancer cells. Finally, these HA-CNPs exerted remarkable cytotoxicity in HCT-116 colon cancer cells at 24 h compared to that of the free triple drug cocktail as well as HA-coated dual drug-loaded nanoparticles without showing any cell death in healthy L929 fibroblast cells. These HA-coated CNPs have potential to be translated into clinics as a novel platform to perturb various oncogenic signaling hubs concomitantly toward next-generation targeted colon cancer therapy.

}, issn = {2470-1343}, doi = {10.1021/acsomega.7b01315}, author = {Palvai, Sandeep and Kuman, Meenu Mahesh and Sengupta, Poulonu and Basu, Sudipta} } @article {43264, title = {Hybrids of thienopyrimidinones and thiouracils as anti-tubercular agents: SAR and docking studies}, journal = {European Journal of Medicinal Chemistry}, volume = {127}, year = {2017}, month = {JAN}, abstract = {

A number of hybrid molecules containing thienopyrimidinones and thiouracil moieties were designed, synthesized and tested against Mycobacterium tuberculosis H37Ra wherein it was observed that the compounds 11-1514 exhibited antitubercular activity in vitro (MIC 7.6{\textendash}19.1 μg/ml, 12{\textendash}35 μM) against dormant stage while compound 15 exhibited antitubercular activity in vitro against dormant (MIC 23.4 μg/ml, 41 μM) as well as active (MIC 25.4 μg/ml, 45 μM) stage. Structural modifications of compound 15 were carried out to study the structure-activity relationship and it was observed that compound 18 exhibited antitubercular activity comparable to compound 15. Cytotoxicity studies revealed that these molecules were non-toxic. The docking study of compound 15 showed that there was binding with the active site of mycobacterial pantothenate synthetase. Further docking studies led to the synthesis of the compounds 16 and 17 and the antitubercular activity screening results showed that these compounds have significant antitubercular activity. The compounds 15-18 (MIC 11{\textendash}29 μg/ml, 19{\textendash}51 μM) can be used as starting points for further optimization. The synthetic strategies used in the present work have potential to prepare a large number of compounds for further refinement of structures and the present results will be very useful in the development of a new class of antimycobacterial agents.

}, doi = {10.1016/j.ejmech.2017.01.009}, author = {Pisal, Mahesh M. and Nawale, Laxman U. and Patil, Manoj and Bhansali, Sujit G. and Gajbhiye, Jayant M. and Sarkar, Dhiman and Chavan, Subhash P. and Borate, Hanumant B.} } @inbook {45822, title = {Hydrogen bonding in molecular crystals}, booktitle = {Comprehensive Supramolecular Chemistry II}, volume = {7}, year = {2017}, pages = {25-48}, publisher = {Elsevier Inc.}, organization = {Elsevier Inc.}, chapter = {Hydrogen Bonding in Molecular Crystals}, address = {Singapur}, abstract = {The hydrogen bond is an important intermolecular interaction in chemical, biological, and materials systems. A proper understanding of noncovalent interactions, notably hydrogen bonds between molecules in supramolecular aggregates, is essential for the design of crystalline materials and new supramolecular systems with desired physical and chemical properties. The International Union of Pure and Applied Chemistry provided a broadly acceptable and yet fairly precise definition of the hydrogen bond in 2011. Knowledge of weak intermolecular interactions and hydrogen bonding has immediate applications in the discovery of new medicines and in the development of novel and biocompatible pharmaceutical products and implants for the next wave of innovations. In this article, we summarize a tutorial background of the hydrogen-bond interaction and then present examples of molecular crystals sustained by this interaction and the role of hydrogen bonding in directing the structural organization. The examples are meant to illustrate the different facets of hydrogen bonding in crystal structures, their design, and properties. We close with some of the new techniques for structure determination for very small or weakly diffracting crystals, as is often the case for supramolecular materials and pharmaceutical products.}, isbn = {978-012803199-5}, doi = {10.1016/B978-0-12-409547-2.12598-3}, author = {Thakuria, R. and Sarma, B. and Nangia, A.} } @article {45662, title = {Hydrogenolysis of sorbitol over Ni, Pt and Ru supported on SBA-15}, journal = {Indian Journal of Chemistry. Section A: Inorganic, Physical, Theoretical \& Analytical Chemistry}, volume = {56 }, year = {2017}, month = {FEB}, pages = {226-231}, type = {Article}, abstract = {Hydrogenolysis of sorbitol (15\% aqueous solution) has been carried out in a batch reactor over Ni (6 wt\%), Pt (1 wt\%) and Ru (1 wt\%) supported on SBA-15 and carbon coated SBA-15 (SBA-15(C)). For comparison, the three metals have also been supported on activated carbon (AC). The catalysts are characterized by XRD, N-2 and H-2 adsorption measurements. Addition of Ca(OH)(2) to the reaction mixture increases conversion and selectivity for the dihydroxy compounds, 1,2-propanediol (PD) and ethylene glycol (EG). Based on yield of dihydric alcohols (PD+EG), the performance of the catalysts at 220 degrees C and 60 bar in the presence of Ca(OH)(2) is in the order: Ru-AC similar to Ru-SBA-15(C) > Ru-SBA-15 similar to Ni-SBA-15, the yields being 40, 39, 31 and 29 wt\%, respectively.}, url = {http://nopr.niscair.res.in/handle/123456789/40903}, author = {Banu, M. and Sankaranarayanan, T. M. and Venuvanalingam, P. and Magesh, G. and Sivasanker, S.} } @article {43744, title = {Identification and synthesis of mycalol analogues with improved potency against anaplastic thyroid carcinonia cell lines}, journal = {Journal of Natural Products}, volume = {80}, year = {2017}, month = {APR}, pages = {1125-1133}, type = {Article}, abstract = {The marine metabolite mycalol (1) has a specific inhibitory activity on cells of anaplastic thyroid carcinoma (ATC), a very aggressive and rare cancer that does not have effective conventional therapy. In this study, we describe six new related analogues (2-7) that differ in the length of the terminal alkyl residue and the presence of acetate or 3S-hydroxybutyrate (3S)-3HB as a substituent at C-19. Despite the structural{\textquoteright} analogies, some of the new members were significantly more-cytotokic than 1 on cell lines,derivecl from human ATC. Structures inclusive of the 2{\textquoteright}R,3R,4S,7R,8S,19R absolute configuration were asigned to 2-7 on the basis of detailed spectroscopic analysis, synthesis of different isomers, and application of ECD and Mosher{\textquoteright}s methods. This work led to the identification of mycal61-578 (3) as the most potent analogue, with an IC50 of 2.3 mu M on FRO cells:}, doi = {10.1021/acs.jnatprod.7b00043}, author = {Cutignano, Adele and Seetharamsingh, B. and D{\textquoteright}Angelo, Daniela and Nuzzo, Genoveffa and Khairnar, Pankaj V. and Fusco, Alfredo and Reddy, D. Srinivasa and Fontana, Angelo} } @article {43556, title = {Identification of biomolecules involved in the biosynthesis of gold nanoparticles from living peanut seedlings}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {17}, year = {2017}, month = {MAR}, pages = {1787-1795}, abstract = {In present work, we have fabricated gold nanoparticles by treating an aqueous solution of 10(-4) M HAuCl4 with the proteins extracted from roots of in vitro raised peanut seedlings and purified them by FPLC at room temperature. These proteins which tested positive for the reduction of 10(-4) M HAuCl4 were identified as Mannose glucose binding lectin and Ara h 8 allergen isoforms by ESI MS/MS. It is a well known fact that aromatic amino acids possess delocalized pi electrons in their ring structures, rendering them as the best electron donors which can transfer electrons and reduce the acceptor. These results suggest that the aromatic amino acids present in the proteins from the peanut seedlings are the primary biomolecules involved in the reduction of Au (III) to Au (0). We isolated different protein of molecular weight 16.4, 28.3 and 30 kDa involved in the formation of nanoparticles. The protein with molecular weight 16.4 kDa (allergens) yielded NPs of 25-60 nm whereas, the proteins with molecular weight 28.3 kDa and 30 kDa (lectins) yielded highly monodispersed NPs of 5-20 nm in size. The results clearly indicate that the size of nanoparticles can be controlled by different proteins.}, doi = {10.1166/jnn.2017.12879}, author = {Raju, D. and Siddiqui, Ejaz Ahmad and Prasanth, S. and Khan, Bashir M. and Mehta, Urmil J. and Ahmad, Absar} } @article {44014, title = {Influence of carbon based supports on selectivity behavior of diols and propanol in Ru catalyzed glycerol hydrogenolysis}, journal = {Applied Catalysis B: Environmental}, volume = {204}, year = {2017}, month = {MAY}, chapter = {134-146}, abstract = {

Activated carbon (AC) and three graphite materials were studied as supports for Ru catalyzed glycerol hydrogenolysis to propanediols and 1-propanol. Structural characteristics of AC and graphite materials were found to greatly affect the reducibility and particle size of supported Ru and hence, the activity and product distribution in glycerol hydrogenolysis. XRD of graphite materials showed distinctly (002) plane having highly organized layered structure and the peak intensity decreased in the order of Ru/KS150 \> Ru/HSAG100 \> Ru/KS6 due to decrease in the graphite sheet thickness. In Raman, the intense D band in HSAG100 compared to that in KS6 and KS150 samples indicated its highly amorphous nature or mixed carbon hybridization. Glycerol conversion for Ru on AC was higher than that on graphite and among different graphites, it showed a descending activity order of Ru/KS6 \> Ru/HSAG100 \> Ru/KS150. The product distribution for AC and HSAG100 supported Ru was similar, giving 1-propanol (45\%) alongwith 1,2-propanediol (1,2-PDO) (37\%) and 1,3-propanediol (1,3-PDO) (9{\textendash}11\%). For graphite supports, availability of Ru although bigger in size (4{\textendash}5 nm), would be higher on the surface than in case of AC which formed deep hydrogenolysis products like 1-, 2- propanol, ethanol etc.

}, keywords = {activated carbon, Amorphous carbon, catalysis, Glycerol, Glycerol conversions, Glycerol hydrogenolysis, graphite composites, Graphite supports, Hydrogenolysis, Hydrolysis, layered structures, Particle size, Product distributions, Propanediols, Propanol, Selectivity behavior, Structural characteristics, Structural effect, Structural effects}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2016.11.032}, author = {Mane, Rasika B. and Patil, S. and Shirai, Masayuki and Rayalu, Sadhana S. and Rode, Chandrashekhar V.} } @article {43946, title = {Influence of hyperglycemic conditions on self-association of the alzheimer{\textquoteright}s amyloid beta (a beta(1-42)) peptide}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {MAY}, chapter = {2134-3147}, abstract = {
Abstract Image

Clinical studies have identified a correlation between type-2 diabetes mellitus and cognitive decrements en route to the onset of Alzheimer{\textquoteright}s disease (AD). Recent studies have established that post-translational modifications of the amyloid β (Aβ) peptide occur under hyperglycemic conditions; particularly, the process of glycation exacerbates its neurotoxicity and accelerates AD progression. In view of the assertion that macromolecular crowding has an altering effect on protein self-assembly, it is crucial to characterize the effects of hyperglycemic conditions via crowding on Aβ self-assembly. Toward this purpose, fully atomistic molecular dynamics simulations were performed to study the effects of glucose crowding on Aβ dimerization, which is the smallest known neurotoxic species. The dimers formed in the glucose-crowded environment were found to have weaker associations as compared to that of those formed in water. Binding free energy calculations show that the reduced binding strength of the dimers can be mainly attributed to the overall weakening of the dispersion interactions correlated with substantial loss of interpeptide contacts in the hydrophobic patches of the Aβ units. Analysis to discern the differential solvation pattern in the glucose-crowded and pure water systems revealed that glucose molecules cluster around the protein, at a distance of 5{\textendash}7 {\r A}, which traps the water molecules in close association with the protein surface. This preferential exclusion of glucose molecules and resulting hydration of the Aβ peptides has a screening effect on the hydrophobic interactions, which in turn diminishes the binding strength of the resulting dimers. Our results imply that physical effects attributed to crowded hyperglycemic environments are incapable of solely promoting Aβ self-assembly, indicating that further mechanistic studies are required to provide insights into the self-assembly of post-translationally modified Aβ peptides, known to possess aggravated toxicity, under these conditions.

}, keywords = {Conformation; Drug discovery and Drug delivery systems; Free energy; Glycoproteins; Molecular association; Molecular dynamics simulation}, doi = {10.1021/acsomega.7b00018}, author = {Menon, Sneha and Sengupta, Neelanjana} } @article {43857, title = {Influence of preparation method on activity and stability of Ni catalysts supported on Gd doped ceria in dry reforming of methane}, journal = {Journal of CO2 Utilization}, volume = {20}, year = {2017}, month = {JUL}, pages = {357-367}, type = {Article}, abstract = {Nickel catalysts supported on Gd doped ceria (NGDC), with various Ni content, were prepared through different preparation routes and evaluated for dry reforming of methane (DRM). Their detailed characterization revealed that method of preparation plays an important role in Ni dispersion, with catalysts prepared through co-precipitation showing high Ni dispersion. The co-precipitated 12NGDC-cp catalyst with 12 wt\% NiO was found to be superior in terms of high CO2 and CH4 conversions compared to catalysts prepared through citrate gel or impregnation methods Even H-2 and CO yields are high on this catalyst, while it shows excellent durability with stable activity even after 100 h on-stream. Thermogravimetric analysis of spent catalyst showed presence of coke, with transmission electron microscopic studies pointing to the presence of Ni crystallites at the mouth of the carbon whiskers. These Ni crystallites appear to be still active for DRM reaction. Among the spent catalysts, the carbon formation was high on catalysts that have bigger Ni crystallites, with the catalysts prepared through impregnation and citrate gel methods having higher coke. Investigations also reveal that the conversion of active (amorphous) carbon into stable (graphitic) carbon depends on the Ni crystallite size, temperature and duration of the reaction. These studies demonstrate that Gd doped ceria is a good support for Ni, to obtain high DRM activity and very good on-stream stability provided the catalysts are prepared through an appropriate method.}, doi = {10.1016/j.jcou.2017.06.014}, author = {Gurav, Hanmant R. and Dama, Srikanth and Samuel, Violet and Chilukuri, Satyanarayana} } @article {43821, title = {Integrative machine learning strategy for improved prediction of essential genes in Escherichia coli metabolism using flux-coupled features}, journal = {Molecular Biosystems}, volume = {13}, year = {2017}, month = {AUG}, pages = {1584-1596}, type = {Article}, abstract = {Prediction of essential genes helps to identify a minimal set of genes that are absolutely required for the appropriate functioning and survival of a cell. The available machine learning techniques for essential gene prediction have inherent problems, like imbalanced provision of training datasets, biased choice of the best model for a given balanced dataset, choice of a complex machine learning algorithm, and data-based automated selection of biologically relevant features for classification. Here, we propose a simple support vector machine-based learning strategy for the prediction of essential genes in Escherichia coli K-12 MG1655 metabolism that integrates a non-conventional combination of an appropriate sample balanced training set, a unique organism-specific genotype, phenotype attributes that characterize essential genes, and optimal parameters of the learning algorithm to generate the best machine learning model (the model with the highest accuracy among all the models trained for different sample training sets). For the first time, we also introduce flux-coupled metabolic subnetwork-based features for enhancing the classification performance. Our strategy proves to be superior as compared to previous SVM-based strategies in obtaining a biologically relevant classification of genes with high sensitivity and specificity. This methodology was also trained with datasets of other recent supervised classification techniques for essential gene classification and tested using reported test datasets. The testing accuracy was always high as compared to the known techniques, proving that our method outperforms known methods. Observations from our study indicate that essential genes are conserved among homologous bacterial species, demonstrate high codon usage bias, GC content and gene expression, and predominantly possess a tendency to form physiological flux modules in metabolism.}, doi = {10.1039/c7mb00234c}, author = {Nandi, Sutanu and Subramanian, Abhishek and Sarkar, Ram Rup} } @article {43891, title = {Intensification of extraction of curcumin from Curcuma amada using ultrasound assisted approach: Effect of different operating parameters}, journal = {Ultrasonic Sonochemistry}, volume = {38}, year = {2017}, month = {SEP}, chapter = {437-445}, abstract = {

Curcumin, a dietary phytochemical, has been extracted from rhizomes of Curcuma amada using ultrasound assisted extraction (UAE) and the results compared with the conventional extraction approach to establish the process intensification benefits. The effect of operating parameters such as type of solvent, extraction time, extraction temperature, solid to solvent ratio, particle size and ultrasonic power on the extraction yield have been investigated in details for the approach UAE. The maximum extraction yield as 72\% was obtained in 1 h under optimized conditions of 35 degrees C temperature, solid to solvent ratio of 1:25, particle size of 0.09 mm, ultrasonic power of 250 W and ultrasound frequency of 22 kHz with ethanol as the solvent. The obtained yield was significantly higher as compared to the batch extraction where only about 62\% yield was achieved in 8 h of treatment. Peleg{\textquoteright}s model was used to describe the kinetics of UAE and the model showed a good agreement with the experimental results. Overall, ultrasound has been established to be a green process for extraction of curcumin with benefits of reduction in time as compared to batch extraction and the operating temperature as compared to Soxhlet extraction.

}, keywords = {Acrylamide, Cavitation, Curcumin Extraction, Design, Enhancement, Functionalized Silica, kinetics, Microwave, Nanoparticles, Natural-products, Optimization, Phenolic-compounds, Process Intensification, Solid-liquid Extraction, Ultrasound}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2017.03.040}, author = {Shirsath, S. R. and Sable, S. S. and Gaikwad, S. G. and Sonawane, S. H. and Saini, D. R. and Gogate, P. R.} } @inbook {45812, title = {Interaction of membrane cholesterol with GPCRs: implications in receptor oligomerization}, booktitle = {Receptors}, volume = {33}, year = {2017}, pages = {415-429}, publisher = {Humana Press Inc.}, organization = {Humana Press Inc.}, address = {New York}, abstract = {

G protein-coupled receptors (GPCRs) are the largest family of proteins involved in signal transduction across cell membranes, and represent major drug targets in all clinical areas. Oligomerization of GPCRs and its implications in drug discovery constitute an exciting area in contemporary biology. In this review, we have highlighted the role of membrane cholesterol and the actin cytoskeleton in GPCR oligomerization, using a combined approach of homo-FRET and coarse-grain molecular dynamics simulations. In the process, we have highlighted experimental and computational methods that have been successful in analyzing different facets of GPCR association. Analysis of photobleaching homo-FRET data provided novel information about the presence of receptor oligomers under varying conditions. Molecular dynamics simulations have helped to pinpoint transmembrane helices that are involved in forming the receptor dimer interface, and this appears to be dependent on membrane cholesterol content. This gives rise to the exciting and challenging possibility of age and tissue dependence of drug efficacy. We envision that GPCR oligomerization could be a game changer in future drug discovery.

}, doi = {10.1007/978-3-319-60174-8_16}, author = {Sengupta, D. and Kumar, G. A. and Chattopadhyay, A.} } @article {43840, title = {Interrupting base-mediated benzofuran ring transformation with michael acceptors}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {SEP}, pages = {9816-9823}, type = {Article}, abstract = {

A simple two-stage approach for the synthesis of 3-(2-arylbenzofuran-3-yl)propanoates and propanamides has been developed employing simple acrylates and acrylamides and readily available 3-aroylbenzofurans. The key step of this process involves a base-mediated ring opening of the 3-aroylbenzofurans and subsequent Michael addition of the resulting 1,3-dicarbonyl intermediate with acrylate/acrylamide, followed by the deformylation in one-pot. The resulting products undergo an acid-mediated dehydrative cyclization to arrive at these targets.

}, keywords = {Acyl Benzylic Bromides, Beta-Ketoaldehydes, Efficient Synthesis, Ortho-Hydroxybenzyl Ketones, Phenols, Position, Precursors, Sur Le Benzofuranne, Transposition}, issn = {0022-3263}, doi = {10.1021/acs.joc.7b01267}, author = {Srinivas, Kolluru and Sharma, Rashmi and Ramana, Chepuri V.} } @article {43797, title = {Intramolecular ipso-arylative cyclization of aryl-alkynoates and N-arylpropiolamides with aryldiazonium salts through merged gold/visible light photoredox catalysis}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {AUG}, pages = {9081-9084}, type = {Article}, abstract = {A visible-light-promoted merged gold/photoredox catalyzed ipsoarylative cyclization has been reported. For instance, the reaction of aryl-alkynoates and N-arylpropiolamides with aryldiazonium salts in the presence of catalytic amounts of [(4-OCH3)C6H4](3)PAuCl and Ru(bpy)(3)(PF6)(2) under irradiation using a 32WCFL bulb gave arylated spirocarbocycles in moderate to good yields.}, doi = {10.1039/c7cc04010e}, author = {Bansode, Avinash H. and Shaikh, Samir R. and Gonnade, Rajesh G. and Patil, Nitin T.} } @article {43942, title = {Investigation into the taxonomy of {\textquotedblleft} B. aminovorans{\textquotedblright} and its reclassification to the genus Domibacillus as Domibacillus aminovorans sp. nov.}, journal = {Systematic and Applied Microbiology}, volume = {40 }, year = {2017}, month = {AUG}, pages = {458-467}, type = {Article}, abstract = {The species "Bacillus aminovorans" was categorized as species Incertae Sedis meaning taxa with uncertain taxonomic position because of insufficient description of phenotypic properties and lack of understanding of its phylogenetic relationship (Claus and Berkeley [5]). In this study two strains "B. aminovorans" DSM 1314T and DSM 4337 were phenotypically and phylogenomically analyzed. The strains are Gram-staining-positive, spore forming rods and unable to utilize/ferment most of the sugars tested except glucose. The major fatty acids are anteiso-C15:0 and iso-C15:0. The major polar lipids are diphosphatidylglycerol, phosphatidylglycerol and an aminophosphoglycolipid. The cell wall peptidoglycan is of A1γ type with meso-Dpm as the diamino acid. The menaquinone type present is MK-6. The G+C content of the genomic DNA of the type strain is 40.8mol\%. These characteristics were found to be in line with description of the genus Domibacillus. Moreover phylogenetic analysis based on 16S rRNA gene sequence retrieved "B. aminovorans" within the genus Domibacillus with D. antri XD 80T as the closest relative. Additionally genome sequencing of the strains and their comparison with whole genome sequences of other Domibacillus spp. confirmed their distinctiveness and separate species status within the genus based on parameters of genome to genome distance calculator (GGDC) and average nucleotide identity (ANI) values. Therefore a novel species Domibacillus aminovorans sp. nov. (DSM 1314T =LMG 16796T) is proposed.}, keywords = {16S rRNA, Domibacillus aminovorans, MALDI-TOF, {\textquoteleft}{\textquoteleft}Bacillus aminovorans{\textquoteright}{\textquoteright}}, issn = {0723-2020}, doi = {10.1016/j.syapm.2017.07.003}, author = {Verma, Ashish and Ojha, Anup Kumar and Pal, Yash and Kumari, Parveen and Schumann, Peter and Gruber-Vodicka, Harald and Dastager, Syed Gulam and Natarajan, Ramesh Kumar and Mayilraj, Shanmugam and Krishnamurthi, Srinivasan} } @article {43459, title = {Investigation of the biocompatibility and cytotoxicity associated with ROP initiator and its role in bulk polymerization of L-lactide}, journal = {Polymer}, volume = {111}, year = {2017}, month = {FEB}, pages = {244-251}, abstract = {Poly (L-lactide) (PLLA) is one of the most attractive polymers for use in biomedical applications. In such applications it is necessary to reduce the use of toxic chemicals and catalysts used in PLLA synthesis, to minimize any adverse effects. In view of this, we have performed ring opening polymerization (ROP) of Llactide (LA) using biocompatible initiator, namely, Zinc L-Proline (ZnP) in bulk. High molecular weight PLLA (Mw up to 1.45 x 10(5) Da) was obtained using the ZnP complex. The ZnP complex is safe, easy to prepare, store and handle. H-1 and C-13 NMR spectra of PLLA were used to determine the extent of monomer conversion and stereo sequence respectively. Differential Scanning Calorimetry (DSC) and Size Exclusion Chromatography (SEC) were used to determine thermal properties, Mn, Mw and polydispersity index respectively. The mechanism of ROP of LA in the presence of ZnP was studied using Density Functional Theory (DFf) which was in good agreement with results from H-1 NMR and Matrix-Assisted Laser Desorption/Ionization Spectrometry (MALDI-TOF). Biocompatibility/non toxicity of PLLA prepared using ZnP was studied in-vitro using MTT assay by examining the proliferation rate of mouse myoblast C2C12 cell line. Escherichia coli and Staphylococcus aureus were used for the study of antibacterial activity of PLLA. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.polymer.2017.01.058}, author = {Parwe, Sharad P. and Warkad, Shrikant D. and Mane, Manoj V. and Shedage, Pranita S. and Garnaik, Baijayantimala} } @article {45679, title = {Ionic hydrogenation-directed stereoselective construction of C-20(H) stereogenic center in steroid side chains: Scope and limitations}, journal = {Tetrahedron}, volume = {73 }, year = {2017}, month = {APR}, pages = {2396-2414}, type = {Article}, abstract = {Stereoselective synthesis of steroidal C-20 tertiary alcohols with n-butyl, vinyl, furyl, thienyl, thiazolyl, aryl and pyridyl side chains via Grignard reaction or organolithium reagents have been realized starting from readily available 16-dehydropregnenolone acetate. The ionic hydrogenation of steroidal C-20 tertiary alcohols having furyl, methylfuryl, thienyl, phenyl and 4-methoxyphenyl side chains, resulted into the deoxygenated product with C-20 natural configuration in excellent yields. However, the alkyl, thiazolyl and pyridyl incorporated steroidal C-20 tertiary alcohols were failed under the same reaction condition. The scope of ionic hydrogenation is further highlighted through the stereoselective reduction of steroidal C-20,21-ene compounds with furyl, thienyl and 4-methoxyphenyl side chains gave the saturated compounds with C-20 natural configuration}, doi = {10.1016/j.tet.2017.03.029}, author = {Shingate, Bapurao B. and Hazra, Braja G.} } @article {43847, title = {Ionic strength-dependent changes in tentacular ion exchangers with variable ligand density. II. functional properties}, journal = {Journal of Chromatography A}, volume = {1506}, year = {2017}, month = {JUL}, pages = {55-64}, type = {Article}, abstract = {The effect of ligand density was studied on protein adsorption and transport behavior in tentacular cation-exchange sorbents at different ionic strengths. Results were obtained for lysozyme, lactoferrin and a monoclonal antibody (mAb) in order to examine the effects of protein size and charge. The combination of ligand density and ionic strength results in extensive variability of the static and dynamic binding capacities, transport rate and binding affinity of the proteins. Uptake and elution experiments were performed to quantify the transport behavior of selected proteins, specifically to estimate intraparticle protein diffusivities. The observed trend of decreasing uptake diffusivities with an increase in ligand density was correlated to structural properties of the ligand-density variants, particularly the accessible porosity. Increasing the ionic strength of the equilibration buffer led to enhanced mass transfer during uptake, independent of the transport model used, and specifically for larger proteins like lactoferrin and mAb, the most significant effects were evident in the sorbent of the highest ligand density. For lysozyme, higher ligand density leads to higher static and dynamic binding capacities whereas for lactoferrin and the mAb, the binding capacity is a complex function of accessible porosity due to ionic strength-dependent changes. Ligand density has a less pronounced effect on the elution rate, presumably due to ionic strength dependent changes in the pore architecture of the sorbents. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.chroma.2017.05.021}, author = {Shambure, Rahul and Angelo, James M. and Gillespie, Christopher M. and Phillips, Michael and Graalfs, Heiner and Lenhoff, Abraham M.} } @article {43276, title = {Iron-carbon nanohybrid particles as environmentally benign electrode for supercapacitor}, journal = {Journal of Solid State Electrochemistry }, volume = {21}, year = {2017}, month = {FEB}, pages = {1665-1674}, type = {Article}, abstract = {

In this work, we report the synthesis and electrode applications of iron-carbon nanohybrid particles prepared by carbonization of a nanocomposite of FeOOH nanoneedles and melamine-formaldehyde resin. The chemical composition and microstructure of the material have been characterized using ICP-AES, FT-IR, XRD, FESEM, TEM and XPS. The supercapacitor properties of the MF-Fe-C are studied in detail. A thorough comparison of the supercapacitor performances of MF-Fe-C and bare MF-C has been carried out through detailed electrochemical characterisations employing both two and three-electrode techniques. The nanohybrid showed an enhanced energy density of 127.75 WhKg$^{-}${\textonesuperior}, specific capacitance of \~{}408 F g$^{-}${\textonesuperior} at 1 mVs$^{-}${\textonesuperior} scan rate, and excellent cyclic stability even after 1000 charge-discharge cycles, making it an intriguing material for high energy density supercapacitor devices.

}, doi = {10.1007/s10008-017-3537-z}, author = {Ratha, Satyajit and Vernekar, Dnyanesh and Sivaneri, Kavin and Jagadeesan, Dinesh and Rout, Chandra Sekhar} } @article {43811, title = {Iron-catalyzed dehydrogenation reactions and their applications in sustainable energy and catalysis}, journal = {Catalysis Science \& Technology}, volume = {7}, year = {2017}, month = {AUG}, pages = {3177-3195}, type = {Article}, abstract = {Inspired by nature, chemists have designed new catalysts in the pursuit of selective bond activation and chemical transformations. Emergent biological systems often use earth-abundant first-row transition elements as catalytically active sites to facilitate specific and highly selective chemical processes. The design of a new catalytic system based on abundant and inexpensive catalysts, particularly the iron-based catalysts, for fundamentally significant synthetic transformations under environmentally benign conditions is an important paradigm in chemical synthesis. In recent times, iron-based catalytic systems have shown unprecedented reactivity in the acceptorless dehydrogenation reactions of feedstock chemicals, with the liberation of molecular hydrogen as the by-product, and have enabled greener chemical synthetic methods and alternative energy storage systems. Indeed, it has been demonstrated that the proper design of iron catalysts by judiciously choosing ligands, can aid in the development of new sustainable energy storage systems and catalysis. This tutorial review focuses on the recent development of iron-based dehydrogenation reactions of fundamentally important feedstock, as a route to sustainable chemical synthesis and energy storage applications. The emerging area of the iron-based dehydrogenation strategy provides an opportunity to make industrially applicable, cost-effective and environmentally benign catalytic systems.}, doi = {10.1039/c7cy00879a}, author = {Balaraman, Ekambaram and Nandakumar, Avanashiappan and Jaiswal, Garima and Sahoo, Manoj K.} } @article {44146, title = {Isomerizing hydroformylation of cashew nut shell liquid}, journal = {ChemCatChem}, volume = {9}, year = {2017}, month = {OCT}, pages = {3997-4004}, type = {Article}, abstract = {A small library of bisphosphorus ligands was evaluated in the rhodium-catalyzed isomerizing hydroformylation (I-HF) of cashew nut shell liquid (CNSL). The rhodium complex of 1,2-bis((di-tert-butylphosphanyl)methyl)benzene (BDTBPMB; L4) outperformed the other bisphosphite and bisphosphine ligands and unveiled a moderate selectivity of 28\% and 50\% in the I-HF of CNSL monoene and methoxy-protected monoene, respectively. The resultant aldehyde 16-(3-methoxyphenyl)hexadecanal P1 was isolated and its identity was fully established. Application of bis-phosphine ligand L4 in the I-HF of highly challenging CNSL cardanol (S3) and methoxy-protected CNSL cardanol yielded a linear selectivity of 74\%, although with reduced conversion. To demonstrate the synthetic utility of our strategy, the obtained aldehyde (derived from S3) was subjected to hydrogenation and the resultant 3-(16-hydroxyhexadecyl) phenol (P8) was isolated in 89\% isolated yield. High-pressure NMR investigation revealed selective formation of a bis-equatorial BDTBPMB-rhodium complex, which might be responsible for the excellent linear selectivity.}, doi = {10.1002/cctc.201700717}, author = {Pandey, Swechchha and Shinde, Dinesh R. and Chikkali, Samir H.} } @article {45770, title = {Kocuria indica sp. nov., isolated from a sediment sample (vol 64, pg 869, 2014)}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {67}, year = {2017}, month = {MAY}, pages = {1620}, type = {Correction}, chapter = {1620}, issn = {1466-5026}, doi = {10.1099/ijsem.0.002077}, author = {Dastager, Syed G. and Tang, Shan-Kun and Srinivasan, Krishnamurthi and Lee, Jae-Chan and Li, Wen-Jun} } @article {44118, title = {Laboratory evaluation of synthetic blends of L-(+)-lactic acid, ammonia, and ketones as potential attractants for aedes aegypti}, journal = {Journal of the American Mosquito Control Association}, volume = {33}, year = {2017}, month = {DEC}, pages = {301-308}, type = {Article}, abstract = {Attraction of Aedes aegypti to various binary, trinary, and quaternary blends of lactic acid and ketones with or without ammonia was studied using a dual choice olfactometer. A dose dependent attraction was observed in cases of single compounds where cyclopentanone attracted the highest percentage (36.9 +/- 1.8\%) of Ae. aegypti when tested alone. No significant difference was observed between the attraction levels of trinary and binary blends of lactic acid and acetone or butanone when tested against clear air. However, in competitive bioassays, the trinary blend of lactic acid, acetone, and butanone was significantly preferred over binary blends of individual compounds (P < 0.05). Acetylacetone was weakly attractive when tested alone but showed additive attraction when blended with lactic acid. However, acetylacetone acted as an attraction inhibitor when blended with other compounds. Cyclopentanone was attractive, but enhancement of attraction was not observed when blended with other components. Addition of ammonia to binary or trinary blends of lactic acid, acetone, and/or butanone did not increase the attraction significantly. In competitive bioassays, the blends containing ammonia were significantly preferred over the blends lacking ammonia (P < 0.05). This highlights ammonia as an essential component of synthetic blends. A quaternary blend of lactic acid, ammonia, acetone, and butanone was most attractive (65 +/- 1.5\%) and preferred blend of all other combinations.}, doi = {doi.org/10.2987/16-6599.1}, author = {Venkatesh, P. M. and Sen, A.} } @article {45700, title = {Liquid crystalline supramolecular crosslinked polymer complexes of ditopic rylenebisimides and P4VP}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {55}, year = {2017}, month = {MAR}, pages = {951-959}, type = {Article}, abstract = {

Perylenebisimide and naphthalenebisimide (PBIPDP and NBI-PDP) end functionalized with pentadecyl phenol is designed as ditopic hydrogen bonding acceptors to form supramolecular crosslinked network with poly(4-vinyl pyridine) (P4VP). The pristine PBI-PDP has been grown as single crystals from DCM-MeOH (dichloromethane-methanol) mixture at room temperature, which revealed a P21 space group. Noticeably, the pentadecyl alkyl chain shields the aromatic perylene core on both sides resulting in the absence of p-p interaction in single-crystal assembly. The naphthalenebisimide derivative exhibits thermotropic liquid crystalline behavior, while both the molecules exhibits lyotropic liquid crystalline phases in tetrahydrofuran (THF), which were characterized using a combination of differential scanning calorimeter, X-ray diffraction, and polarized light microscopy. The hydrogen-bonded complex of both the rylenebisimides with P4VP preserves the mesomorphic properties in THF. The electron transport mobility measured by space charge limited current measurements reveals a two orders of magnitude increase in the charge transport in the P4VP complex compared to that of the pristine molecule. The average electron mobility obtained is mu(e, avg): 10(-3) cm(2)/Vs for P4VP-PBI compared to mu(e, avg): 10(-5) cm(2)/Vs for pristine PBI derivative. (C) 2017 Wiley Periodicals, Inc.

}, keywords = {crystal structures, ditopic rylenebisimide, hydrogen bonding, lyotropic liquid crystal, P4VP, Self-assembly, supramolecular crosslink, supramolecular structures}, issn = {0887-624X}, doi = {10.1002/pola.28449}, author = {Saibal, B. and Narayan, Rekha and Chithiravel, S. and Asha, S. K.} } @article {43823, title = {Low-dimensional hybrid perovskites as high performance anodes for alkali-ion batteries}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {SEP}, chapter = {18634-18642}, abstract = {

State-of-the-art Li (or Na) ion batteries work by insertion/extraction of the alkali metal ions into a porous electrode material, where the overall capacity is strongly dependent on the accessibility of the host material interior to the ions. On the other hand, the performance stability depends on various factors governed by the specific constitution of the electrode. Here we show that molecularly engineered low-dimensional hybrid perovskites can work as excellent anode materials for alkali-ion batteries. We measure a high reversible capacity of 646 mA h g(-1) at 100 mA g(-1) with good stability tested up to 250 cycles for the benzidine mediated lead iodide based 1D system. An ex situ analysis of the electrodes reveals that the storage primarily occurs via the Li-x(or Na-x)Pb alloying/de-alloying process. We anticipate that these results open a new direction for the use of low-dimensional hybrid perovskites for energy storage applications.

}, keywords = {Generation, Inorganic-Organic Hybrid, Lead Iodide, lithiation-intramolecular electrophilic reaction, Na-Air Battery, Negative Electrodes, Organometal Halide perovskites, PB, Sequential Deposition, Solar-cells}, issn = {2050-7488}, doi = {10.1039/c7ta04529h}, author = {Tathavadekar, Mukta and Krishnamurthy, Shrreya and Banerjee, Aparna and Nagane, Satyawan and Gawli, Yogesh and Suryawanshi, Anil and Bhat, Suresh and Puthusseri, Dhanya and Mohite, Aditya D. and Ogale, Satishchandra} } @article {43772, title = {Magnetic reduced graphene oxide loaded hydrogels: highly versatile and efficient adsorbents for dyes and selective Cr(VI) ions removal}, journal = {Journal of Colloid and Interface Science}, volume = {507}, year = {2017}, month = {DEC}, pages = {360-369}, type = {Article}, abstract = {The formation of composites of reduced graphene oxide (rGO) and magnetic nanoparticles (MP) has flourished in recent years as they combine the advantages of both nanomaterials. Most of these composite materials are prepared by in situ formation of MP onto rGO or by the post-adsorption onto rGO. We report here on a simple and highly controlled method for the fabrication of different magnetic 3D rGO-loaded hydrogels. Cellulose bound magnetic nanoparticles (MP@cellulose) were synthesized by chemical co-precipitation and loaded together with rGO into poly(ethylene glycol) dimethacrylate based hydrogels during their fabrication using photo-polymerization. The magnetic rGO-loaded hydrogels proved to be highly adaptable to different applications. The as-formed composites allowed for efficient dye removal with an adsorption capacity of 111.9 +/- 4 mg g(-1) in the case of methylene blue (MB). Integration of poly(ethyleneimine) (PEI) allowed for the selective capturing of Cr6+ ions with an adsorption capacity of 313 12 mg g-1. Most importantly, independent of the application, the magnetic rGO-loaded hydrogel can be regenerated without loss of its adsorption capacity. (C) 2017 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.jcis.2017.07.075}, author = {Halouane, Fatima and Oz, Yavuz and Meziane, Dalila and Barras, Alexandre and Juraszek, Jean and Singh, Santosh K. and Kurungot, Sreekumar and Shaw, Pankaj K. and Sanyal, Rana and Boukherroub, Rabah and Sanyal, Amitav and Szunerits, Sabine} } @article {43969, title = {Magnetic studies of SiO2 coated CoFe2O4 nanoparticles}, journal = {Journal of Magnetism and Magnetic Materials}, volume = {441}, year = {2017}, month = {NOV}, pages = { 683-690}, type = {Journal Article}, abstract = {Oleic acid capped CoFe2O4 nanoparticles which exhibit a high coercivity of \~{}9.47 kOe at room temperature were coated with a robust coating of SiO2. We have used chemical synthesis method to obtain SiO2 coated CoFe2O4 nanoparticles with different weight percentages of CoFe2O4 in SiO2 (1.5, 3.1 and 4.8 wt.\%). The morphological investigation of the coated nanoparticles by transmission electron microscopy shows that the particles are spherical with average size \~{}160 nm. Infrared spectroscopy reveals that oleic acid capping on the surface of CoFe2O4 nanoparticles is retained after silica coating process. The complete coating of SiO2 on CoFe2O4 nanoparticles is confirmed by X-ray photoelectron spectroscopy as there is no signature of cobalt or iron ions on the surface. Magnetic measurements show that coercivity of SiO2 coated CoFe2O4 particles remains more or less unaffected as in CoFe2O4 nanoparticles at room temperature. In addition, the temperature dependent magnetic measurements show that at 5 K the CoFe2O4 and SiO2 coated 1.5 wt.\% CoFe2O4 samples exhibit a very high value of coercivity (\~{}20 kOe) which is more than twice as compared to room temperature coercivity value (\~{}9.47 kOe). We conclude that silica coating in our study does not significantly affect the coercivity of CoFe2O4 nanoparticles.}, keywords = {Coatings, coercive force, High Resolution Transmission Elctron Microscopy, infrared spectroscopy, Magnetic materials}, doi = { 10.1016/j.jmmm.2017.06.061}, author = {Limaye, M.V.}, editor = {Singh, S.B.} } @article {43790, title = {Mapping architectural and transcriptional alterations in non-lesional and lesional epidermis in vitiligo}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {AUG}, type = {Article}, abstract = {In vitiligo, chronic loss of melanocytes and consequent absence of melanin from the epidermis presents a challenge for long-term tissue maintenance. The stable vitiligo patches are known to attain an irreversible depigmented state. However, the molecular and cellular processes resulting in this remodeled tissue homeostasis is unclear. To investigate the complex interplay of inductive signals and cell intrinsic factors that support the new acquired state, we compared the matched lesional and non-lesional epidermis obtained from stable non-segmental vitiligo subjects. Hierarchical clustering of genome-wide expression of transcripts surprisingly segregated lesional and non-lesional samples in two distinct clades, despite the apparent heterogeneity in the lesions of different vitiligo subjects. Pathway enrichment showed the expected downregulation of melanogenic pathway and a significant downregulation of cornification and keratinocyte differentiation processes. These perturbations could indeed be recapitulated in the lesional epidermal tissue, including blunting of rete-ridges, thickening of stratum corneum and increase in the size of corneocytes. In addition, we identify marked increase in the putrescine levels due to the elevated expression of spermine/spermidine acetyl transferase. Our study provides insights into the intrinsic self-renewing ability of damaged lesional tissue to restore epidermal functionality in vitiligo.}, doi = {10.1038/s41598-017-10253-w}, author = {Singh, Archana and Gotherwal, Vishvabandhu and Junni, Paivi and Vijayan, Vinaya and Tiwari, Manisha and Ganju, Parul and Kumar, Avinash and Sharma, Pankaj and Fatima, Tanveer and Gupta, Aayush and Holla, Ananthaprasad and Kar, Hemanta K. and Khanna, Sangeeta and Thukral, Lipi and Malik, Garima and Natarajan, Krishnamurthy and Gadgil, Chetan J. and Lahesmaa, Riitta and Natarajan, Vivek T. and Rani, Rajni and Gokhale, Rajesh S.} } @article {43876, title = {MCM-41-supported phosphotungstic acid-catalyzed cleavage of C-O bond in allyl aryl ethers}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {JUN}, pages = {4943-4949}, type = {Article}, abstract = {Removal of the protecting allyl group from allyl aryl ethers in the presence of other oxygen protecting groups was successfully achieved using a solid acid supported on the high surface area material MCM-41. The catalyst showed excellent activity in the presence of various electron withdrawing, electron donating, and oxidizable functional groups. The methodology is also very useful for the removal of protecting allyl groups of various natural products such as vanillin, isovanillin, and other oxygen functionalized aldehydes and ketones.}, doi = {10.1039/c7nj00375g}, author = {Sakate, Sachin S. and Kamble, Sumit B. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {45755, title = {Mechanism of unfolding of human prion protein}, journal = {Journal of Physical Chemistry B}, volume = {121}, year = {2017}, month = {JAN}, pages = {550-564}, type = {Article}, abstract = {Misfolding and aggregation of prion proteins are associated with several neurodegenerative diseases. Therefore, understanding the mechanism of the misfolding process is of enormous interest in the scientific community. It has been speculated and widely discussed that the native cellular prion protein (PrPC) form needs to undergo substantial unfolding to a more stable PrPC* state, which may further oligomerize into the toxic scrapie (PrPSc) form. Here, we have studied the mechanism of the unfolding of the human prion protein (huPrP) using a set of extensive well-tempered metadynamics simulations. Through multiple microsecond-long metadynamics simulations, we find several possible unfolding pathways. We show that each pathway leads to an unfolded state of lower free energy than the native state. Thus, our study may point to the signature of a PrPC*. form that corresponds to a global minimum on the conformational free-energy landscape. Moreover, we find that these global minima states do not involve an increased beta-sheet content, as was assumed to be a signature of PrPSc formation in previous simulation studies. We have further analyzed the origin of metastability of the PrPC form through free energy surfaces of the chopped helical segments to show that the helices, particularly H2 and H3 of the prion protein, have the tendency to form either a random coil or a beta-structure. Therefore, the secondary structural elements of the prion protein are only weakly stabilized by tertiary contacts and solvation forces so that relatively weak perturbations induced by temperature, pressure, pH, and so forth can lead to substantial unfolding with characteristics of intrinsically disordered proteins.}, doi = {10.1021/acs.jpcb.6b11416}, author = {Singh, R. K. and Chamachi, N. G. and Chakrabarty, S. and Mukherjee, A.} } @article {45694, title = {Mechanistic investigation of the carbon-iodine bond activation on the niobium-carbon cluster}, journal = {ACS Omega}, volume = {2 }, year = {2017}, month = {SEP}, pages = {5335-5347}, type = {Article}, abstract = {

The activation process of carbon-iodine (C-I) bond on neutral and cationic niobium metcars (Nb8C12) is investigated using density functional theory and related computational techniques. Metallocarbohedrenes or metcars are a class of stable metal-carbide clusters of specific stoichiometry and of great interest to cluster chemists since their first discovery. The detailed reaction mechanism along with the overall energy profile of the C-I dissociation reaction on niobium metcar and its cations is presented in this paper. The tunneling-corrected rate constants and their related reaction parameters such as the pre-exponential factor are also included alongside. The major differences between the reaction mechanism of the neutral and cationic metcars are also highlighted as well. Despite the available experimental results, the C-I bond dissociation on metcars has remained an unexplored problem in the theoretical and computational domains. Thus, the present investigation can fill in the gap and may also provide new insights provoking further developments in cluster and materials chemistry in future.

}, doi = {10.1021/acsomega.7b00894}, author = {Sengupta, Turbasu and Khan, Muntazir S. and Pal, Sourav} } @article {43689, title = {Mechanistic study of nucleophilic fluorination promoted by tri-tert-butanolamine}, journal = {Journal of Fluorine Chemistry}, volume = {197}, year = {2017}, month = {MAY}, pages = {80-86}, type = {Article}, abstract = {Quantum chemical study is carried out to elucidate the mechanism of S(N)2 fluorination using. CsF promoted by tri-tert-butanolamines. Focus is on the role of the hydroxyl (OH) and the amine functional groups for accelerating the reaction. Our systematic analysis indicates that the OH groups form strong interactions with the nucleophile F-. Thus, it seems that hydrogen bonding with the nucleophile may accelerate the S(N)2 processes rather than retard them, as conventional wisdom suggests. The origin of the experimentally observed improvement of the promotor efficiency in t-butanol solvent over that in CH3CN is examined. We show that the coordination of the solvent t-butanol molecule as Lewis base on the counter-cation Cs+ lowers the Gibbs free energy of activation. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jfluchem.2017.03.013}, author = {Lee, Sung-Sik and Jung, Hyun-Kyung and Shinde, Sandip S. and Lee, Sungyul} } @article {43647, title = {Medium constituents mediated engineering for size and shape tuning of gold nanocrystallites}, journal = {Journal of Industrial and Engineering Chemistry}, volume = {51}, year = {2017}, month = {JUL}, pages = {288-294}, abstract = {The current investigation introduces the utilization of cell culture mediums as a novel source for the one plot synthesis as well as stabilization of metal nanoparticles. By varying the medium constituents we could control the size and shape distributions of the gold nanoparticles. Nanospheres of diameter 24 +/- 6 nm and 19 +/- 5 nm were produced using DMEM and M199 mediums respectively, nanoneedles of 150 +/- 50 nm using RPMI medium and nanoflowers of 60 +/- 25 nm using IMDM medium, with an overall yield of 91 +/- 2\%. A remarkable decrease in the reaction duration (<3 min) was noted, irrespective of the growth mediums used. Fourier transform infrared spectroscopy and zeta potential measurements revealed them to have a common protenacious encapping agent with different overall surface charges of -23 +/- 3, -21 +/- 1, -24 +/- 2, and -20 +/- 1 mV for Au@DMEM, Au@RPMI, Au@IMDM and Au@M199 respectively. X-ray diffraction confirmed the purity and crystallinity of the particles with Bragg peaks at (111), (200), (220) and (311) for gold nanocrystals. This approach could lead to the creative utilization of novel eco-friendly sources for the production and size/shape control of nanoparticles. Moreover, the adopted methodology is absolutely green, robust and facile, offering new insights for sustainable synthesis for various biomedical and engineering applications. (C) 2017 The Korean Society of Industrial and Engineering Chemistry. Published by Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jiec.2017.03.015}, author = {Suresh, Anil K. and Vijay, Veena and Hameed, Bahrudeen S. and Ramasamy, Sureshkumar and Sakthivel, Natarajan} } @article {43868, title = {Metal free mild and selective aldehyde cyanosilylation by a neutral penta-coordinate silicon compound}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUN}, abstract = {This study demonstrates the preparation and structural characterization of a Si(IV) hydride (PhC(NtBu)(2)SiH(CH3)Cl) (1) and its use as a catalyst for the cyanosilylation of a variety of aldehydes. Compound 1 represents the first neutral penta-coordinate silicon(IV) species that catalyzes cyanosilylation of aldehydes under mild conditions.}, doi = {10.1039/c7cc03948d}, author = {Swamy, V. S. V. S. N. and Bisai, Milan Kumar and Das, Tamal and Sen, Sakya S.} } @article {44020, title = {Microvirga indica sp. Nov., an arsenite-oxidizing alphaproteobacterium, isolated from metal industry waste soil}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {67}, year = {2017}, month = {SEP}, pages = {3525-3531}, type = {Journal Article}, abstract = {A novel Gram-stain-negative bacterium, strain S-MI1bT, belonging to the genus Microvirga was isolated from a metal industry waste soil sample in Pirangut village, Pune District, Maharashtra, India. Cells were non-spore-forming, small rod-shapes, motile and strictly aerobic with light-pink colonies. The strain grew in 0-7.0 \% (w/v) NaCl and at 25-45 {\textdegree}C, with optimal growth at 40 {\textdegree}C. The predominant fatty acids detected were summed feature 8 (C18 : 1 ω7c and/or C18 : 1 ω6c) and C19 : 0 cyclo ω8c. The predominant isoprenoid quinone was Q-10. The G+C content was 67.2 mol\% and DNA-DNA relatedness values between strain S-MI1bTand Microvirga subterranea DSM 14364T and Microvirgaaerophila 5420S-12T were 53.9 and 54.8 \%, respectively. Phylogenetic analysis, based on 16S rRNA gene sequences, indicated that strain S-MI1bT is a member of the genus Microvirga, with greatest sequence similarities of 97.7 and 97.4 \% with M. subterranea DSM 14364T and M.aerophila 5420S-12T, respectively. Phylogenetic analysis showed that strain S-MI1bT forms a clade with the type strain of M. subterranea DSM 14364T, and was readily distinguishable from it due to various phenotypic characteristics. The combination of genotypic and phenotypic data suggests that the isolate represents a novel species of the genus Microvirga, for which the name Microvirga indica sp. nov. is proposed. The type strain is S-MI1bT (=NCIM-5595T=KACC 18792T=BCRC 80972T)}, doi = { 10.1099/ijsem.0.002157}, author = {Tapase, S. R.}, editor = {Mawlankar, R. B.} } @inbook {45780, title = {Microwave-assisted extraction of carvone from carum carvi}, booktitle = {Novel water treatment and separation methods simulation of chemical processes}, year = {2017}, pages = {356}, publisher = {CRC Press}, organization = {CRC Press}, edition = {1 }, chapter = {Microwave-assisted extraction of carvone from carum carvi}, address = {New York}, abstract = {

Due to increasing demand for potable and irrigation water, new scientific research is being conducted to deal with wastewater from a variety of sources. Novel Water Treatment and Separation Methods: Simulation of Chemical Processes presents a selection of research related to applications of chemical processes for wastewater treatment, separation techniques, and modeling and simulation of chemical processes. Among the many topics are: degradation of herbicide removal of anionic dye efficient sun-light driven photocatalysis removal of copper and iron using green activated carbon defluoridation of drinking water removal of calcium and magnesium from wastewater using ion exchange resins degradation of vegetable oil refinery wastewater novel separation techniques, including microwave-assisted extraction and more The volume presents selected examples in wastewater treatment, highlighting some recent examples of processes such as photocatalytic degradation, emulsion liquid membrane, novel photocatalyst for degradation of various pollutants, and adsorption of heavy metals. The book goes on to explore some novel separation techniques, such as microwave-assisted extraction, anhydrous ethanol through molecular sieve dehydration, batch extraction from leaves of Syzygium cumini (known as jambul, jambolan, jamblang or jamun), and reactive extraction. These novel separation techniques have proved be advantageous over conventional methods. The volume also looks at modeling and simulation of chemical processes, including chapters on flow characteristics of novel solid-liquid multistage circulating fluidized bed, mathematical modeling and simulation of gasketed plate heat exchangers, optimization of the adsorption capacity of prepared activated carbon, and modeling of ethanol/water separation by pervaporation, along with topics on simulation using CHEMCAD software.

}, isbn = {978-177188578-2}, issn = {978-1771885782}, doi = {10.1201/9781315225395}, author = {Borole, O. D. and Shirsath, S. R. and Gaikwad, S. G.} } @article {43878, title = {Mixed-stack charge transfer crystals of pillar[5]quinone and tetrathiafulvalene exhibiting ferroelectric features}, journal = {Chemistry- A European Journal }, volume = {23}, year = {2017}, month = {SEP}, chapter = {12630-12635}, abstract = {

Ferroelectric materials find extensive applications in the fabrication of compact memory devices and ultra-sensitive multifunctional detectors. Face-to-face alternate stacking of electron donors and acceptors effectuate long-range unidirectional ordering of charge-transfer (CT) dipoles, promising tunable ferroelectricity. Herein we report a new TTF-quinone system-an emerald green CT complex consisting pillar[5]quinone (P5Q) and tetrathiafulvalene (TTF). The CT crystals, as determined by single crystal synchrotron X-ray diffraction, adopt a 1:1 mixed-stack arrangement of donor and acceptor with alternating dimers of TTF and 1,4-dioxane encapsulated P5Q. The TTF-P5Q.dioxane crystal possesses a macroscopic polarization axis giving rise to ferroelectricity at room temperature. The CT complex manifests ferroelectric features such as optical polarization rotation, temperature-dependent phase transition and piezoelectric response in single crystals. Ferroelectric behavior observed in P5Q-based CT complex widens the scope for further work on this structurally intriguing and readily accessible cyclic pentaquinone.

}, keywords = {Acceptor, Charge-transfer complexes, Chemistry, Conductors, DDQ, Donor, ferroelectric, Macrocycles, Organic Metals, Pi-interaction, Pillar[5]quinone, salts, Transfer Complexes, Transport}, issn = {0947-6539}, doi = {10.1002/chem.201702577}, author = {Shivakumar, Kilingaru I. and Swathi, Kadaba and Goudappagouda and Das, Tamal C. and Kumar, Ashwani and Makde, Ravindra D. and Vanka, Kumar and Narayan, Kavassery S. and Babu, Sukumaran Santhosh and Sanjayan, Gangadhar J.} } @inbook {45781, title = {Model nanoparticles in catalysis}, booktitle = {Metal nanoparticles and clusters: advances in synthesis, properties and applications}, year = {2017}, pages = {165-199}, publisher = { Springer}, organization = { Springer}, edition = {1}, chapter = {Model nanoparticles in catalysis}, abstract = {

The importance of surface structure in catalysis is well documented by a large volume of surface science studies carried out on single crystal surfaces. Recent years has seen rapid strides in the synthesis of structured nanomaterials with varying morphologies and architecture. There is a growing interest in utilizing model nanoparticles like morphology-controlled nanostructures and core{\textendash}shell-like bimetallic nanoparticles in catalysis. Apart from showing unprecedented reactivity, they serve as a model surfaces to answer many fundamental question in catalysis and also to arrive at structure vs activity correlations in heterogeneous catalysis. This chapter gives an introduction to such nanomaterials and recent advances in utilizing these materials for catalytic applications.

}, issn = {978-3-319-68052-1}, doi = {10.1007/978-3-319-68053-8}, author = {Vinod, C. P. and Vysakh, A. B. and Sreedhala, S.} } @article {43468, title = {Modeling G-L-L-S reactor: a case of hydrogenation of nitrobenzene}, journal = {Industrial \& Engineering Chemistry Research}, volume = {56}, year = {2017}, month = {FEB}, pages = {1404-1415}, abstract = {Gas-liquid liquid solid (GLLS) reaction systems are often encountered in manufacturing of fine and specialty chemicals. More often than not, such reaction systems involve multiple reactions, and selectivity toward the desired component always poses challenges. An adequate understanding of various parameters affecting GLLS reactor performance is essential to develop strategies for realizing desired selectivity. In this work, a comprehensive reaction engineering model for simulating four phase hydrogenation reactions has been developed. A generalized mixing cell based framework for a reaction system with four interacting phases (gas [G], aqueous [L], organic [L], and solid catalyst [S]) was developed. The model is written in a general way so as to specify one of the liquid phases as a continuous phase, and the other three phases are dispersed into it. In each cell, vapor space is included. The model includes the possibility of evaporation of solvent and internal condensation (in vapor space). The model can also be applied for a dead end (from a perspective of reacting gas) reactor. Model equations were solved using MATLAB. The equations and solution methodology were verified by comparing numerical solutions with available solutions of various limiting cases. A case of four phase hydrogenation of nitrobenzene to para amino phenol and aniline was considered to illustrate the application of the developed model. Key findings from the model were validated by comparing with laboratory scale experimental data. The model was then used to develop insights and guidelines for enhancing selectivity toward desired product. The developed model and presented results will be useful to develop general guidelines for design and optimization of GLLS reactors.}, doi = {10.1021/acs.iecr.6b03744}, author = {Sharma, Deepankar V. and Patwardhan, Ashwin W. and Ranade, Vivek V.} } @article {44114, title = {Modular approach towards functionalized highly stable self-complementary quadruple hydrogen bonded systems}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {DEC}, pages = {10087-10094}, type = {Article}, abstract = {Self-complementary quadruple hydrogen bonded systems have shown potential as key building blocks for developing various supramolecular polymers. Opportunities for the introduction of multiple functionalities would further augment, in principle, their application potential. Herein, we report a novel modular approach to simultaneously introduce two closely aligned side chains into AADD-type self-complementary quadruple hydrogen-bonding systems. Dithiane-tethered ureidopyrimidinone has been used as a reactive intermediate to efficiently attach closely aligned side chains by simply reacting with amines to form highly stable molecular duplexes. These duplexes featuring AADD-type arrays of hydrogen bonding codes are highly stable in non-polar solvents (K-dim > 1.9 x 10(7) M-1 in CDCl3) as well as in polar solvents (K-dim > 10(5) in 10\% DMSO-d(6)/CDCl3). Another notable feature of these self-assembling systems is their insensitivity to prototropy-related issues owing to their prototropic degeneracy, which will enhance their application potential in supramolecular chemistry.}, doi = {10.1039/c7ob02358h}, author = {Rayavarapu, Suresh and Kheria, Sanjeev and Shinde, Dinesh R. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {45748, title = {Molecular features of bile salt hydrolases and relevance in human health}, journal = {Biochimica et Biophysica Acta - General Subjects}, volume = {1861}, year = {2017}, month = {JAN}, pages = {2981-2991}, type = {Article}, abstract = {Background: Bile salt hydrolase (BSH) enzyme is responsible for the de-conjugation of bile salts by commensal bacteria, thus playing a vital role in their colonization and survival in the mammalian intestine and determination of their probiotic potential. Further, bile deconjugation also leads to lowering of cholesterol and alterations in energy homeostasis, thus making BSH a clinically important enzyme. Scope of the review: Many recent observations have indicated that BSH may be involved in a multifaceted array of roles, directly or indirectly in the host and microbial physiology. BSH paralogues have now been found to occur in different microbes including free-living and pathogenic bacteria and Archaea. BSHs from various sources also show differential activity and substrate spectrum. Certain bacteria are known to possess multiple genes for BSH enzymes. BSHs have been reported to influence different metabolic phenomena, including bacterial pathogenesis and the maintenance of lipid and glucose homeostasis in the host. These observations necessitate an intense study into the biochemical, structural and regulatory features of BSH enzymes to better understand their role in regulating bacterial and host metabolism. Major conclusions: In this review, the available information on the characteristics of BSH enzymes have been organized in order to understand their interactions with a wide range of substrates and their myriad physiological roles, from bile resistance to signalling mechanisms. General significance: A detailed exploration of BSH architecture and regulation could provide insights into its evolution and a deeper appreciation of the multiple functions of this enzyme relevant to healthcare.}, doi = {10.1016/j.bbagen.2016.09.024}, author = {Chand, D. and Avinash, V. S. and Yadav, Y. and Pundle, A. V. and Suresh, C. G. and Ramasamy, S.} } @article {42995, title = {Molecular motifs for additives that retard PEO crystallization}, journal = {Polymer Engineering \& Science}, volume = {57}, year = {2017}, month = {AUG}, pages = {857-864}, type = {Article}, abstract = {

We investigate the influence of several bifunctional phenol additives (resorcinol: RES, hydroquinone: HYD, p-hydroxybenzoic acid: PHBA, and p-nitrophenol: PNP) on the crystallization of matrix polymer, polyethyleneoxide. We employ solid state Nuclear Magnetic Resonance spectroscopy (NMR), Differential Scanning Calorimetry (DSC), optical microscopy, and Small Angle X-ray Scattering (SAXS) to investigate crystallization of the additivated PEO and compare with Density Functional Theory (DFT) calculations of additive-PEO interactions. Additive-polymer interactions are a function of the functional groups on the additive. Temperature-dependent spherulitic growth rate measurements from optical microscopy and SAXS lamellar long spacings indicate a distinct trend in the effect of additives on PEO crystallization. Change in PEO crystallization is most pronounced with PNP, followed by PHBA and finally RES and HYD. This trend correlates qualitatively with the binding energies of additive-PEO interactions from DFT studies. Our results suggest that DFT calculations might be a useful screening tool to evaluate the influence of additives on polymer crystallization. POLYM. ENG. SCI., 2016. {\textcopyright} 2016 Society of Plastics Engineers

}, doi = {10.1002/pen.24462}, author = {Shrivastava, Sudhakar Dinesh and Eldho, Kavalakal Mathai and Rajamohanan, P. R. and Ajithkumar, Thalasseril G. and Vanka, Kumar and Kumaraswamy, Guruswamy} } @inbook {45782, title = {Molecular tools for controlling nanoparticle size/morphologies}, booktitle = {Molecular materials: preparation, characterization, and applications}, year = {2017}, pages = {189-212}, publisher = {CRC Press}, organization = {CRC Press}, chapter = {Molecular tools for controlling nanoparticle size/morphologies}, abstract = {The preparation of nanoparticles (especially those of noble metals) predates the coinage of the term nano itself by several centuries. The earliest example of the preparation of nanoparticles has been linked to Roman artisans who created colored glass by probably mixing gold chloride and other salts of noble metals while making glass. Many artistic marvels such as the Lycurgus cup and the glass panels in many European cathedrals were created by this simple procedure. Furthermore, many believe that medicinal preparation such as {\textquotedblleft}aurum potabile{\textquotedblright} and formulations injected for treating rheumatic arthritis were made of colloidal gold. Several people such as the fourteenth-century Bolognese painters, the alchemists Paracelsus, Andreus Cassius, and Johannes Kunckel are all believed to have made the colloidal form of gold, which is the most studied form among the metallic nanoparticles. However, none of these methods of preparations or people were really interested to see in what form the metals existed in composite/solution or whether these existed 190as small ({\textquotedblleft}nano{\textquotedblright}) particles. Actually, it was Michael Faraday who first conjectured that the ruby red color imparted to the glass/ceramics could be due to the reduction of gold salts to metallic state. 1 He in fact prepared a {\textquotedblleft}sol{\textquotedblright} of gold by reacting a gold chloride solution with red phosphorous, thus causing the reduction of gold (III) ions to metallic gold. He was also the first person who inferred that the color imparted to the glass/ceramics could be due to the existence of gold in a {\textquotedblleft}finely divided metallic state.{\textquotedblright} Several systematic studies by Richard Adolf Zsigmondy, Theodor Svedberg, and Gustav Mie 2-5 on gold nanoparticles followed. However, the preparations in all these studies have been mainly curiosity driven and practical applications, if any, have been rather limited. One of the causes for this limitation could be related to the difficult preparative procedures. This major hurdle has been crossed thanks to the pioneering works first by Turkevich et al. 6 and later by Frens 7, 8 that provided the first major breakthrough as far as the simplification of gold colloid preparation was concerned. Procedures developed by these people were also the first ones where an organic molecule, trisodium citrate, was used for nanoparticle synthesis}, isbn = {978-148224595-0}, issn = {978-148224596-7}, doi = {10.1201/9781315118697}, author = {Sahu, P. and Shimpi, J. and Prasad, B.L.V.} } @article {43054, title = {Molybdenum oxide-mediated facile aliphatic nucleophilic fluorination}, journal = {Tetrahedron Letters}, volume = {58}, year = {2017}, month = {NOV}, pages = {59-62}, type = {Article}, doi = {10.1016/j.tetlet.2016.11.099}, author = {Said, Madhukar S. and Khandare, Leena and Shinde, Sandip S.} } @article {43954, title = {Multicolour and nearly white light emission in YP0.8V0.2O4:Sm3+ nanorods: controlled energy transfer}, journal = {Journal of Alloys and Compounds}, volume = {726}, year = {2017}, month = {DEC}, pages = {1161-1167}, type = {Journal Article}, abstract = {Nanorods of YP0.8V0.2O4:Sm{\textthreesuperior}$^{+}$ have been synthesized under hydrothermal conditions. Substitution of vanadium (V$^{5}$$^{+}$) sites in YVO4 by phosphorus ions (P$^{5}$$^{+}$) has been confirmed by Fourier transform infrared spectroscopy, X-ray diffraction and transmission electron microscopy. Careful selection of Sm{\textthreesuperior}$^{+}$ concentration in YP0.8V0.2O4 enables to achieve the controlled energy transfer from the VO4{\textthreesuperior}$^{-}$ absorption to the excited states of Sm{\textthreesuperior}$^{+}$ ions. The controlled energy transfer has been confirmed from the steady state luminescence and decay lifetime studies of VO4{\textthreesuperior}$^{-}$ emission. With the controlled retention of VO4{\textthreesuperior}$^{-}$ emission, tuning of light emission from the singly (Sm{\textthreesuperior}$^{+}$) doped YP0.8V0.2O4 nanorods is realized. At a particular doping concentration of Sm{\textthreesuperior}$^{+}$ (1.25 at.\%), a nearly white light emission is observed. The quantum yield of this nearly white light emission is found to be \~{}28\%. Tunability of the light and white light emission are supported by CIE chromaticity. The energy transfer efficiency from the VO4{\textthreesuperior}$^{-}$ absorption to the excited states of Sm{\textthreesuperior}$^{+}$ ion in YP0.8V0.2O4 reaches upto \~{}86\% with the doping concentration of 2.25 at.\%. }, keywords = {Energy Transfer, Luminescence, Multicolor, Nanorod}, doi = {10.1016/j.jallcom.2017.08.099}, author = {Singh, N.S.}, editor = {Wangkhem, R.} } @article {43890, title = {Multifunctional inulin tethered silver-graphene quantum dots nanotheranostic module for pancreatic cancer therapy}, journal = {Material Science and Engineering C- Materials for Biological Application}, volume = {78}, year = {2017}, month = {SEP}, chapter = {1203-1211}, abstract = {

Cancer nanotechnology is an emerging area of cancer diagnosis and therapy. Although considerable progress has been made for targeted drug delivery systems to deliver anticancer agents to particular site of interest, new nanomaterials are frequently being developed and explored for better drug delivery efficiency. In the present work, we have explored a novel nanoformulation based on silver-graphene quantum dots (Ag-GQDs) nanocomposite for its successful implementation for pancreatic cancer specific drug delivery in wistar rats. Carboxymethyl inulin (CMI); a modified variant of natural polysaccharide inulin is tethered with the nanocomposite via carbodiimide coupling to enhance the biocompatibility of nanoformulation. Experiments are performed to investigate the cytotoxicity reduction of silver nanoparticles after inulin tethering as well as anticancer efficacy of the system using 5-Fluorouracil (5-FU) as model drug. SEM, TEM, FT-IR, UV-vis, photoluminescence and anti proliferative assays (MTT) are performed for characterisation of the nanocomposite. Hyaluronic acid (HA) is conjugated as targeting moiety for CD-44 (cancer stem cell marker) to fabricate a complete targeted drug delivery vehicle specific for pancreatic cancer. In the present work two prime objectives were achieved; mitigation the toxicity of silver nanoparticles by inulin coating and it{\textquoteright}s in vivo application for pancreatic cancer. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {acid, Dextran, Drug-delivery, graphene quantum dots, Inulin, Nanocomposite, Nanocomposites, Nanoparticles, Pancreatic Cancer, Silver nanoparticle, Strategies, Systems, Targeted Drug Delivery}, issn = {0928-4931}, doi = {10.1016/j.msec.2017.03.176}, author = {Joshi, Preeti Nigam and Agawane, Sachin and Agawane, Sachin and Agawane, Sachin and Sarkar, Dhiman and Sarkar, Dhiman} } @article {43941, title = {Multilocus sequence typing of Ochrobactrum spp. isolated from gastric niche}, journal = {Journal of Infection and Public Health }, volume = {10}, year = {2017}, month = {MAR-APR}, pages = {201-210}, type = {Journal Article}, abstract = {The human stomach is colonized by diverse bacterial species. The presence of non-Helicobacter pylori bacteria in urease-positive biopsies of individuals has been reported. Bacteria belonging to the Ochrobactrum genus have been documented in the human gastric niche. The co-occurrence of Ochrobactrum spp. with H. pylori was previously reported in an antral biopsy of a non-ulcer dyspeptic (NUD) subject from Northern India. There is no information on the genetic diversity of Ochrobactrum spp. isolated from the gastric niche in the stomach. We aimed to study the species distribution and diversity of Ochrobactrum spp. with and without H. pylori in urease-positive biopsies across three different geographical regions in India. Sixty-two Ochrobactrum isolates recovered from patients with an upper gastric disorder (n=218) were subjected to molecular identification and multilocus sequence typing. H. pylori DNA was found in the majority of biopsies, which had a variable degree of Ochrobactrum spp present. Interestingly, some of the urease-positive biopsies only had Ochrobactrum without any H. pylori DNA. Based on phylogenetic analysis, the Ochrobactrum isolates were distributed into the O. intermedium, O. anthropi and O. oryzae groups. This indicates there are multiple species in the gastric niche irrespective of the presence or absence of H. pylori. Antibiotyping based on colistin and polymyxin B could differentiate between O. intermedium and O. anthropi without revealing the resistance-driven diversity. Considering the prevalence of multiple Ochrobactrum spp. in the human gastric niche, it is important to evaluate the commensal and/or pathogenic nature of non-H. pylori bacteria with respect to their geographical distribution, lifestyle and nutrition needs.}, keywords = {Helicobater Pyroli, MLST, Non-Ulcer Dyspepsia, Ochrobactrum}, doi = {10.1016/j.jiph.2016.04.013}, author = {Kulkarni, Girish}, editor = {Gohil, Kushal} } @article {43976, title = {Multi-mode hydrogen storage in nanocontainers}, journal = {International Journal of Hydrogen Energy}, volume = {42}, year = {2017}, month = {AUG}, pages = {24256-24262}, type = {Article}, abstract = {Hydrogen can be stored in containers or in materials (in molecular or atomic forms). The atomic form can further exist as multiple phases. Molecular hydrogen can be adsorbed on the surface or can be present inside the material. By invoking multiple modes of hydrogen storage, we establish a paradigm shift in the philosophy of hydrogen storage. Using a novel strategy of storage of molecular hydrogen in metal (Pd) nanocontainers, we observe that 18\% hydrogen is in molecular form. Interestingly, this is achieved at 25 {\textdegree}C and 1 atm pressure; which is in contrast to storage in MOFs and carbonaceous materials like nanotubes. Enhancement in storage capacity as compared to Pd nanocrystals of the same mass is observed (36\% increase at 1 atm \& 25 {\textdegree}C), along with fast kinetics (0.5 wt\% hydrogen absorption in 5 s). A new mechanism for hydrogen storage involving the dual catalytic role of Pd is established.}, doi = {10.1016/j.ijhydene.2017.07.233}, author = {Shervani, Suboohi and Mukherjee, Puspal and Gupta, Anshul and Mishra, Gargi and Illath, Kavya and Ajithkumar, Thallaseril G. and Sivakumar, Sri and Sen, Pratik and Balani, Kantesh and Subramaniam, Anandh} } @article {43171, title = {Multiple functionalities of Ni nanoparticles embedded in carboxymethyl guar gum polymer: catalytic activity and superparamagnetism}, journal = {Applied Surface Science}, year = {2017}, month = {JAN}, abstract = {Composites comprising of metallic nanoparticles in polymer matrices have allured significant importance due to multifunctionalities. Here a simple protocol has been described to embed Ni nanoparticles in carboxymethyl guar gum (CMGG) polymer. The composite formation helps in the stabilization of Ni nanoparticles which are otherwise prone towards aerial oxidation. Further the nanoparticles retain their superparamagnetic nature and catalytic capacity. Ni-Polymer composite catalyses the reduction of 4-Nitrophenol to 4-Aminophenol very efficiently in presence of NaBH4, attaining a complete conversion under some experimental conditions. Ni-Polymer composite is well characterized using UV{\textendash}vis spectroscopy, FTIR, XPS, powder XRD, TGA, SEM and TEM. A detailed magnetic measurement using superconducting quantum interference device-vibrating sample magnetometer (SQUID-VSM) reveals superparamagnetic behaviour of the composite.}, author = {Sardar, Debasmita and Sengupta, Manideepa and Bordoloi, Ankur and Ahmed, Md. A. and Neogi, S. K. and Bandyopadhyay, Sanjoy and Jain, Ruchi and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {43872, title = {Multipronged quantitative proteomics reveals serum proteome alterations in breast cancer intrinsic subtypes}, journal = {Journal of Proteomics}, volume = {163}, year = {2017}, month = {JUN}, pages = {1-13}, type = {Article}, abstract = {Being molecularly heterogeneous, breast cancer tends to be a complicated oncological disease with high incidence rates throughout the world. The primary aim of this study was to identify the set of serum proteins with discriminatory capabilities towards the four major subtypes of breast cancer. We employed multipronged quantitative proteomic approaches like 2D-DIGE, iTRAQ and SWATH-MS and identified 307 differentially regulated proteins. Luminal A subtype consisted of 24, Luminal B subtype 38, HER2 Enriched subtype 17 and Triple negative breast cancer subtype 10 differentially regulated subtype specific proteins. These specific proteins were further subjected to bioinformatic tools which revealed the involvement in platelet degranulation, fibrinolysis, lipid metabolism, immune response, complement activation, blood coagulation, glycolysis and cancer signaling pathways in the subtypes of the breast cancer. The significant discrimination efficiency of the models generated through multivariate statistical analysis was decent to distinguish each of the four subtypes from controls. Further, some of the statistically significant differentially regulated proteins were verified and validated by immunoblotting and mass spectrometry based selected reaction monitoring (SRM) approach. Our Multipronged proteomics approaches revealed panel of serum proteins specifically altered for individual subtypes of breast cancer. The mass spectrometry data are available via ProteomeXchange with identifier PXD006441. Biological significance: Worldwide, breast cancer continues to be one of the leading causes of cancer related deaths in women and it encompasses four major molecular subtypes. As breast cancer treatment majorly depends on identification of specific subtype, it is important to diagnosis the disease at subtype level. Our results using multipronged quantitative proteomics identified 307 differentially regulated proteins in which 24 were specific for Luminal A, 38 for Luminal B, 17 for HER2 enriched and 10 proteins were specific for TN subtype. Bioinformatic analysis of these proteins revealed certain biological processes and pathways altered at subtype level and validation experiments of some of these proteins using immunoblotting and SRM assays are consistent with discovery data. This is the first comprehensive proteomic study on serum proteome alterations at subtype level which will not only help to distinguish subtype of breast cancer but also contribute to a better understanding of the molecular characteristic of breast cancer at individual subtype level. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jprot.2017.05.007}, author = {Gajbhiye, Akshada and Dabhi, Raju and Taunk, Khushman and Jagadeeshaprasad, Mashanipalya G. and RoyChoudhury, Sourav and Mane, Anupama and Bayatigeri, Santhakumari and Chaudhury, Koel and Santra, Manas K. and Rapole, Srikanth} } @article {43824, title = {Nanocrystalline Fe-Fe2O3 particledeposited N-doped graphene as an activity-modulated Pt-free electrocatalyst for oxygen reduction reaction}, journal = {Nanoscale}, volume = {9}, year = {2017}, month = {SEP}, pages = {13341-13342}, type = {Article}, issn = { 2040-3364}, doi = {10.1039/c7nr90179h}, author = {Dhavale, Vishal M. and Singh, Santosh K. and Nadeema, Ayasha and Gaikwad, Sachin S. and Kurungot, Sreekumar} } @article {44030, title = {Nano-heteroarchitectures of two-dimensional MoS 2 @ one-dimensional brookite TiO 2 nanorods: prominent electron emitters for displays}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {JUN}, pages = {2925-2934}, type = {Article}, abstract = {

We report comparative field electron emission (FE) studies on a large-area array of two-dimensional MoS2-coated @ one-dimensional (1D) brookite (β) TiO2 nanorods synthesized on Si substrate utilizing hot-filament metal vapor deposition technique and pulsed laser deposition method, independently. The 10 nm wide and 760 nm long 1D β-TiO2 nanorods were coated with MoS2 layers of thickness \~{}4 ({\textpm}2), 20 ({\textpm}3), and 40 ({\textpm}3) nm. The turn-on field (Eon) of 2.5 V/μm required to a draw current density of 10 μA/cm{\texttwosuperior} observed for MoS2-coated 1D β-TiO2 nanorods emitters is significantly lower than that of doped/undoped 1D TiO2 nanostructures, pristine MoS2 sheets, MoS2@SnO2, and TiO2@MoS2 heterostructure-based field emitters. The orthodoxy test confirms the viability of the field emission measurements, specifically field enhancement factor (βFE) of the MoS2@TiO2/Si emitters. The enhanced FE behavior of the MoS2@TiO2/Si emitter can be attributed to the modulation of the electronic properties due to heterostructure and interface effects, in addition to the high aspect ratio of the vertically aligned TiO2 nanorods. Furthermore, these MoS2@TiO2/Si emitters exhibit better emission stability. The results obtained herein suggest that the heteroarchitecture of MoS2@β-TiO2 nanorods holds the potential for their applications in FE-based nanoelectronic devices such as displays and electron sources. Moreover, the strategy employed here to enhance the FE behavior via rational design of heteroarchitecture structure can be further extended to improve other functionalities of various nanomaterials.

}, doi = {10.1021/acsomega.7b00345}, author = {Devan, Rupesh S. and Thakare, Vishal P. and Antad, Vivek V. and Chikate, Parameshwar R. and Khare, Ruchita T. and More, Mahendra and Dhayal, Rajendra S. and Patil, Shankar I. and Ma, Yuan-Ron and Schmidt-Mende, Lukas} } @article {43807, title = {Nanotubular hard carbon derived from renewable natural seed gel for high performance sodium-ion battery anode}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {AUG}, pages = {6909-6915}, type = {Article}, abstract = {

Electrical energy storage devices such as batteries and supercapacitors are perhaps the most researched topic today in view of its critical implications for the successful implementations of various renewable energy harvesting initiatives. Amongst the various battery systems being currently examined, the Li-battery continues to be a main player, but the Na-ion battery has been attracting significant attention lately due to the concerns about the limited reserves and high cost of Li. Hard carbon is recognized to be a good anode material for Na-battery. In this work we present a novel approach to synthesize such hard carbon from a natural gel derived from the commonly used Basil seeds (Osimum Basilicum) which swell 30 times their weight by absorbing water. The hard carbon obtained by pyrolysis of the freeze-dried mucilage possesses sheet-like and tubular morphology with decorated surface defects attributed to the presence of oxygen functionalities. This hard carbon shows a good reversible capacity of 195 mAh g(-1) at 0.1A g(-1) with an impressive approximate to 91\% retention of initial capacity after 300 cycles and sustains high current densities with not much change in capacity value.

}, doi = {10.1002/slct.201701123}, author = {Sharma, Neha and Gawli, Yogesh and Ahmad, Absar and Muhammed, Musthafa and Ogale, Satishchandra} } @article {43817, title = {Nature of selenium hydrogen bonding: gas phase spectroscopy and quantum chemistry calculations}, journal = {Physical chemistry Chemical physics}, volume = {19}, year = {2017}, month = {SEP}, pages = {24179-24187}, type = {Article}, abstract = {

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

}, keywords = {Center-Dot-O, Clusters, Co-Ordination, Complexes, intermolecular interactions, Proteins, Replacement, spectra, Strength, Sulfur}, issn = {1463-9076}, doi = {10.1039/c7cp05265k}, author = {Mishra, Kamal K. and Singh, Santosh K. and Ghosh, Paulami and Ghosh, Debashree and Das, Aloke} } @article {45712, title = {N-doped porous reduced graphene oxide as an efficient electrode material for high performance flexible solid-state supercapacitor}, journal = {Applied Materials Today}, volume = {8}, year = {2017}, month = {SEP}, pages = {141-149}, type = {Article}, abstract = {Supercapacitors (SCs) are energy storage devices with an immense potential to resolve energy related issues. Being a low cost, durable and multifunctional material, graphene and its derivatives are the most promising candidates for SCs. Here, we report the synthesis of N-doped porous reduced graphene (N-pGr) and its use for the fabrication of all-solid-state supercapacitor (ASSC) device. The N-pGr exhibited a specific capacitance of 230 F g(-1) at 1 A g(-1) current density and good capacitance retention up to 88\% even after 10,000 galvanostatic charge-discharge cycles recorded at 5 A g(-1) fabricated in a solid-state supercapacitor. The synergistic effect of the porosity and N-doping is believed to be the underlying principle for the improved charge storage ability when compared to other reports. Significantly, the porous nature of N-pGr contributes in increasing the electroactive surface area for the formation of electrical double layer as well as facilitating the faster movement of electrolyte ions inside the electrode network. N-doping is believed to change the electrical properties of the electrode material and also to participate in the pseudo-capacitance which helped to boost the overall capacitance of the fabricated device. The good capacitance retention provides the room for making robust flexible solid-state supercapacitor (FSSC) with the N-pGr material.}, doi = {10.1016/j.apmt.2016.10.002}, author = {Singh, S. K. and Dhavale, V. M. and Boukherroub, R. and Kurungot, S. and Szunerits, S.} } @article {43499, title = {New and efficient enantioselective synthesis of both enantiomers of the calcium channel blocker bepridil}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {JAN}, pages = {824-829}, abstract = {A concise and efficient enantioselective synthesis of both enantiomers of bepridil, a calcium channel blocker, is reported. Jacobsen{\textquoteright}s hydrolytic kinetic resolution method was utilized to resolve racemic 2-(isobutoxymethyl) oxirane. The incorporation of the succinimide moiety by the Mitsunobu reaction, which was investigated in detail, occurred without any loss of enantioselectivity. Using this strategy, both enantiomers of the target molecule were obtained in good yield and with high enantiopurity (ee > 99\%).}, doi = {10.1039/c6nj02928k}, author = {Mujahid, Mohammad and Subramanian, Jambu and Nalla, Viswanadh and Sasikumar, Murugesan and Kunte, Sunita Sharad and Muthukrishnan, Murugan} } @article {42937, title = {New bithiazolyl hydrazones: novel synthesis, characterization and antitubercular evaluation}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {27}, year = {2017}, month = {JAN}, pages = {288{\textendash}294}, abstract = {

New bithiazolyl hydrazones (6a{\textendash}l) have been first time synthesized by carrying novel one pot cyclocondensation of 5-acyl thiazoles (1a{\textendash}b), thiosemicarbazide (2) and substituted phenacyl chlorides (4a{\textendash}f) in freshly prepared ionic liquid, diisopropyl ethyl ammonium acetate (DIPEAc) at room temperature. The newly synthesized compounds have been evaluated for their antitubercular activity and the compounds 3b, 6a, 6b, 6d, 6e, 6f, 6g, and 6l have displayed noticeable antitubercular activity compared to Rifampicin with tolerable cytotoxicity. All these compounds were also screened for their antibacterial activity and found that, compounds 6j and 6k have exhibited a very good antibacterial activity. Molecular docking study has shown better harmony with the evaluation trend shown by these compounds under in vitro antitubercular screening.

}, doi = {10.1016/j.bmcl.2016.11.056}, author = {Bhalerao, Mahendra B. and Dhumal, Sambhaji T. and Deshmukh, Amarsinh R. and Nawale, Laxman U. and Khedkar, Vijay M. and Sarkar, Dhiman and Mane, Ramrao A.} } @article {43940, title = {New pyrene cored small organic molecule with a flexible alkyl spacer: a potential solution processable blue emitter with bright photoluminescence}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {OCT}, pages = {11383-11390}, type = {Article}, abstract = {A new pyrene cored small organic molecule viz. 1,3,6,8-tetrakis(4-((5-(9H-carbazol-9-yl) pentyl)oxy) phenyl)pyrene (PY-II) was designed and synthesized. The carbazole moiety with an alkyl spacer was introduced at 1, 3, 6 and 8 positions of the pyrene core to improve the charge transport properties and solution processability. PY-II exhibited excellent solubility in common organic solvents and high thermal stability up to 345 degrees C. The photoluminescence quantum yield (PLQY) of PY-II in solution was found to be 0.9 with bright blue emission near 450 nm which is just appropriate for the human eye. The solution processed non-doped OLED device fabricated using PY-II as an emissive layer afforded a pure blue emission with CIE coordinates of 0.16 and 0.16, a power efficiency of 0.17 lm W-1, a maximum current efficiency of 0.41 cd A(-1) and a maximum brightness of 202 cd m(-2).}, doi = {10.1039/c7nj01921a}, author = {Valsange, Nitin G. and Wong, F. L. and Shinde, Durgaprasad and Lee, C. S. and Roy, V. A. L. and Manzhos, Sergei and Feron, K. and Chang, Samuel and Katoh, Ryuzi and Sonar, Prashant and Wadgaonkar, Prakash P.} } @article {45692, title = {Nickel-catalyzed C(sp(2))-H/C(sp(3))-H oxidative coupling of indoles with toluene derivatives}, journal = {ACS Catalysis}, volume = {7}, year = {2017}, month = {JUN}, pages = {4202-4208}, type = {Article}, abstract = {Nickel-catalyzed oxidative C(sp(2))-H/C(sp(3))-H coupling of indoles with toluene derivatives is successfully achieved in the presence of 2-iodobutane as the oxidant. This method allows the selective C-2 benzylation of indoles with toluene derivatives over the alkylation with 2-iodobutane and permits the coupling of diversified indoles via the monochelation assistance. The reaction proceeded through a single-electron-transfer (SET) process, wherein both the C-H nickelation of indole and the C-H activation of toluene derivatives have a significant effect on the entire reaction rate. The synthetic utility of this nickel-catalyzed protocol is demonstrated by the facile removal of the directing group and by the convenient synthesis of the melatonin receptor antagonist Luzindole derivatives.}, doi = {10.1021/acscatal.7b01044}, author = {Soni, V. and Khake, S. M. and Punji, B.} } @article {44403, title = {Nickel-catalyzed direct synthesis of dialkoxymethane ethers}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {AUG}, pages = {1153-1159}, abstract = {A simple and efficient method for the preparation of dialkoxymethane ethers (oxymethylene ethers) from alcohols and paraformaldehyde in the presence of commercially available nickel(II) salt is described. The reaction proceeds readily under neutral, solvent-free conditions using paraformaldehyde as a C-1 source. The present strategy has a broad substrate scope including aliphatic (both primary and secondary) and aromatic alcohols and provides a benign method for the preparation of symmetrical dialkoxymethanes in good yields (up to 89\%).}, doi = {10.1007/s12039-017-1339-6}, author = {Subaramanian, Murugan and Bera, Abhijit and Prasad, Bhagavatula L. V. and Balaraman, Ekambaram} } @article {43883, title = {Nickel-catalyzed N-vinylation of heteroaromatic amines via C-H bond activation}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {SEP}, pages = { 6896-6900}, type = {Article}, abstract = {

Here, we report a ligand- and reductant-free nickel-catalyzed N-vinylation of heteroaromatic amines using biorenewable p-cymene as a solvent. This unprecedented cross-coupling strategy has high functional group tolerance (halides, alkoxy, cyano, chiral motif, etc.) and proceeded via C-H bond activation.

}, keywords = {Alkylation, Amination Reactions, Anilines, Aryl Chlorides, halides, Monoarylation, O Bonds, Precatalyst, Pyrimidines, Removeble Directing Group}, issn = {1477-0520}, doi = {10.1039/c7ob01791j}, author = {Landge, Vinod G. and Rana, Jagannath and Subaramanian, Murugan and Balaraman, Ekambaram} } @article {43947, title = {NIR light-triggered shrinkable thermoresponsive PNVCL nanoshells for cancer theranostics}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {SEP}, pages = {44026-44034}, type = {Article}, abstract = {For the localized treatment of a tumor in a more controlled fashion, several stimuli-responsive nanocarriers and minimally or non-invasive techniques like photothermal therapy (PTT) have emerged. However, PTT is limited to only treatment of small and superficial tumors due to the inability of NIR light to penetrate more and kill the core cells of large and deep-seated tumors. As a preliminary step towards addressing the problem, NIR light-triggered thermoresponsive theranostic nanoshell consisting of chitosan-grafted poly(N-vinyl caprolactam) as core and biocompatible gold as shell (Au PNVCL NS) are synthesized and well characterized by various techniques. PNVCL is polymerized from N-vinyl caprolactam using free radical polymerization method, and chitosan is grafted to raise its lower critical solution temperature (LCST) to hyperthermic temperature (\~{}43 {\textdegree}C). Surface plasmon resonant gold shell over PNVCL NPs core is assembled by ascorbic acid-driven in situ reduction. Core to shell diameter ratio is controlled to tune the peak in NIR region (750 nm). Therapeutic potential of Au PNVCL NS is determined over breast cancer cells MCF-7, while diagnostic potential is compared with the commercial contrast agent-Omnipaque.}, doi = {10.1039/C7RA07485A}, author = {Chauhan, Deepak S. and Singaravelu, Indulekha and Gottipalli, Rupesh and Reddy, B. Pradeep K. and Chikate, Tanmayee and Gupta, Ramkrishn and Jahagirdar, Dushyant N. and Prasad, Rajendra and De, Abhijit and Srivastava, Rohit} } @article {43800, title = {Norepinephrine alkaloids as antiplasmodial agents: Synthesis of syncarpamide and insight into the structure-activity relationships of its analogues as antiplasmodial agents}, journal = {European Journal of Medicinal Chemistry}, volume = {138}, year = {2017}, month = {SEP}, pages = {1089-1105}, type = {Article}, abstract = {

Syncarpamide 1, a norepinephrine alkaloid isolated from the leaves of Zanthoxylum syncarpum (Rutaceae) exhibited promising antiplasmodial activities against Plasmodium falciparum with reported IC50 values of 2.04 mu M (D6 clone), 3.06 mu M (W2 clone) and observed by us 3.90 mu M (3D7 clone) and 2.56 mu M (K1 clone). In continuation of our work on naturally occurring antimalarial compounds, synthesis of syncarpamide 1 and its enantiomer, (R)-2 using Sharpless asymmetric dihydroxylation as a key step has been accomplished. In order to study structure-activity-relationship (SAR) in detail, a library of 55 compounds (3-57), which are analogues/homologues of syncarpamide 1 were synthesized by varying the substituents on the aromatic ring, by changing the stereocentre at the C-7 and/or by varying the acid groups in the ester and/or amide side chain based on the natural product lead molecule and further assayed in vitro against 3D7 and K1 strains of P. falciparum to evaluate their antiplasmodial activities. In order to study the effect of position of functional groups on antiplasmodial activity profile, a regioisomer (S)-58 of syncarpamide 1 was synthesized however, it turned out to be inactive against both the strains. Two compounds, (S)-41 and its enantiomer, (R)-42 having 3,4,5-trimethoxy cinnamoyl groups as side chains showed better antiplasmodial activity with IC50 values of 3.16, 2.28 mu M (3D7) and 1.78, 2.07 mu M (I(1), respectively than the natural product, syncarpamide 1. Three compounds (S)-13, (S)-17, (S)-21 exhibited antiplasmodial activities with IC50 values of 6.39, 6.82, 6.41 mu M against 3D7 strain, 4.27, 7.26, 2.71 mu M against K1 strain and with CC50 values of 147.72, 153.0, \>200 mu M respectively. The in vitro antiplasmodial activity data of synthesized library suggests that the electron density and possibility of resonance in both the ester and amide side chains increases the antiplasmodial activity as compared to the parent natural product 1: The natural product syncarpamide 1 and four analogues/homologues out of the synthesized library of 55, (S)-41, (R)-42, (S)-55 and (S)-57 were assayed in vivo assay against chioroquine-resistant P. yoelii (N-67) strain of Plasmodium. However, none of the five molecules, 1, (S)-41, (R)-42, (S)-55 and (S)-57 exhibited any promising in vivo antimalarial activity against P. yoelii (N-67) strain. Compounds 4, 6, 7 and 11 showed high cytotoxicities with CC50 values of 5.87, 5.08, 6.44 and 14.04 mu M, respectively. Compound 6 was found to be the most cytotoxic as compared to the standard drug, podophyllotoxin whereas compounds 4 and 7 showed comparable cytotoxicities to podophyllotoxin. (C) 2017 Elsevier Masson SAS. All rights reserved.

}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2017.07.052}, author = {Aratikatla, Eswar K. and Valkute, Tushar R. and Puri, Sunil K. and Srivastava, Kumkum and Bhattacharya, Asish K.} } @article {43963, title = {Novel interaction study of Th(IV) and Zr(IV) with 4-sulfonatocalix[6]arene: experimental and theoretical investigation}, journal = {Polyhedron}, volume = {137}, year = {2017}, month = {NOV}, pages = {137}, type = {Journal Article}, abstract = {

Calixarenes based ligands are well known in the extraction of heavy metal ions. The modifications at lower as well as upper rim increase the new possibilities of metal extraction in terms of quantum and selectivity of metal. In comparison to calix[4]arene, complexing nature of calix[6]arene is less studied due to its large size and flexible nature. In the present study, 4-sulfonatocalix[6]arene (SCX6) is synthesized and an attempt has been made to understand its complexation behavior with Th(IV) and Zr(IV) metal ions. The effect of different solvents has been examined along with calculation of binding constants for better complexation possibilities. Though in general, its complexation proves to be at 1:1 stoichiometry with respect to ligand and metal, the specific metals show its characteristic modes of interaction with the ligand. This has been understood through IR spectroscopic analysis and density functional theory based first principle studies. 1H NMR spectra of SCX6 and its complexes with Th(IV) and Zr(IV) metal ions was established. IR, UV{\textendash}Vis, fluorescence spectroscopic studies provided a systematic understanding about the binding behavior of these two metals including interference possibilities from other metals.

}, keywords = {4-Sulfonatocalix[6]arene, DFT, metal complexation, Th(IV) Zr(IV)}, doi = { 10.1016/j.poly.2017.08.026}, author = {Rathod, N.V.}, editor = {Joshi, K.} } @article {45678, title = {Novel silaproline (Sip)-incorporated close structural mimics of potent antidepressant peptide drug rapastinel (GLYX-13)}, journal = {Tetrahedron Letters}, volume = {58}, year = {2017}, month = {APR}, pages = {1568-1571}, type = {Article}, abstract = {Rapastinel (GLYX-13) is a C-amidated tetrapeptide drug under clinical development for adjunctive treatment of major depressive disorder (MDD). Rapastinel features two consecutive proline residues centered at the peptide sequence (Thr-Pro-Pro-Thr-NH2), which are detrimental to its biological activity. In this communication, we report the synthesis of very close structural analogues of rapastinel comprising silaproline (Sip) as proline surrogate. By virtue of its enhanced lipophilicity and metabolic stability, Sip introduction in the native rapastinel sequence is expected to improve its pharmacokinetic profiles.}, doi = {10.1016/j.tetlet.2017.03.015}, author = {Madica, Krishnaprasad and Nadimpally, Krishna Chaitanya and Sanjayan, Gangadhar J.} } @article {44042, title = {Nutty carbon: morphology replicating hard carbon from walnut shell for na ion battery anode}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {JUL}, chapter = {3601{\textendash}3609}, abstract = {
Abstract Image

Efficient Na ion intercalation/deintercalation in the semigraphitic lattice of a hard carbon derived from the walnut shell is demonstrated. High-temperature (1000 {\textdegree}C) pyrolysis of walnut shells under an inert atmosphere yields a hard carbon with a low surface area (59 m2\ g{\textendash}1) and a large interplanar\ c\ axis separation of 0.39{\textendash}0.36 nm as compared to 0.32 nm for graphite, suitable for Na ion intercalation/deintercalation. A stable reversible capacity of 257 mAh g{\textendash}1\ is observed at a current density of 50 mA g{\textendash}1\ for such nutshell-derived carbon (NDC) with an impressive rate performance. No loss of electrochemical performance is observed for high current cycling (100 mA g{\textendash}1\ {\textrightarrow} 2 A g{\textendash}1\ {\textrightarrow} 100 mA g{\textendash}1). Additionally, the NDC shows remarkably stable electrochemical performance up to 300 charge{\textendash}discharge cycles at 100 mA g{\textendash}1\ with a minimal drop in capacity.

}, keywords = {Batteries, Biological and Medicinal chemistry, Biological materials, diffraction, Electric Properties, Electrode-electrolyte interface, spectra, Surface structure, Thermal properties}, doi = {10.1021/acsomega.7b00633}, author = {Wahid, M. and Gawli, Y. and Puthusseri, D. and Kumar, A. and Shelke, M. V. and Ogale, S.} } @conference {45797, title = {OFET based H2S gas sensing among reducing and mining gases using green synthesis SnO2}, booktitle = {2016 3rd International Conference on Emerging Electronics, ICEE 2016}, year = {2017}, month = {JAN}, publisher = {IEEE}, organization = {IEEE}, address = {Mumbai, India}, abstract = {In this paper we present detection of H2S gas using an organic field effect transistor (OFET) based sensor. A low-cost green synthesis process for SnO2 nanoparticles and bi-layer approach for device fabrication have been adopted to come up with the sensor. With the help of multiparameteric analysis, selectivity towards H2S gas was proved among other reducing and mining gases. }, doi = {10.1109/ICEmElec.2016.8074608}, author = {Surya, S. G. and Roy, S. and Ganne, B. S. P. and Pasam, D. and Sastry, A. B. and Bhagavatula L. V. Prasad} } @article {43813, title = {One-step synthesis of a MoS2-CuS composite with high electrochemical activity as an effective counter electrode for CdS/CdSe sensitized solar cells}, journal = {Chemelectrochem}, volume = {4}, year = {2017}, month = {AUG}, pages = {1984-1989}, type = {Article}, abstract = {Inorganic nanostructured composite materials involving metal sulfides are increasingly important in electrochemical applications like solar cells. In this research, we have developed a one-step in situ solvothermal method to synthesize a MoS2-CuS composite. MoS2 sheets increase electron-transfer ability, assisting the improvement in catalytic activity of the MoS2-CuS counter electrode. The charge-transfer resistance derived from impedance spectroscopy for the MoS2-CuS composite counter electrode at the electrode/electrolyte interface is very low, as compared to MoS2, mostly owing to the increased number of active catalytic sites for the reduction of polysulfide electrolyte. The Tafel polarization plot shows excellent electrocatalytic activity of the MoS2-CuS composite towards polysulfide electrolyte. Finally, the CdS/CdSe sensitized solar cell achieves a power conversion efficiency of about 5\% upon optimization of the MoS2-CuS composition.}, doi = {10.1002/celc.201700231}, author = {Kamaja, Chaitanya Krishna and Devarapalli, Rami Reddy and Shelke, Manjusha V.} } @article {43688, title = {Optical antenna effect on SiNWs/CuS photodiodes}, journal = {Physica Status Solidi A-Applications and Materials Science}, volume = {214}, year = {2017}, month = {MAY}, pages = {Article Number: 1600635}, type = {Article}, abstract = {One-dimensional architectures between silicon nanowires (SiNWs) and CuS were fabricated by radio-frequency (RF) magnetron sputtering and analyzed for solid-state photodetector application. Inspired by the subwavelength optical concentration by the surface plasmons on metal nanostructures at the nanoscale, we investigated the effect of gold nanorods (AuNRs) on the optical absorption and photodetection properties of the heterojunction photodiode. AuNRs acting as an optical trapping antenna enhances the light absorption, consequently boosting the photocurrent from the device. A maximum photoresponsivity of 0.36 mA W-1 was achieved under 665 nm excitation wavelength independent of the bias, a value similar to 13 times higher than for the heterojunction photodiode without AuNRs. Such plasmonic sensitization can be useful for improving the sensitivity of visible as well as IR photodetectors. (C) 2017 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim}, doi = {10.1002/pssa.201600635}, author = {Yenchalwar, Sandeep G. and Rondiya, Sachin R. and Shinde, Pravin N. and Jadkar, Sandesh R. and Shelke, M. V.} } @article {43383, title = {Optimal combinations of control strategies and cost-effective analysis for visceral leishmaniasis disease transmission}, journal = {PLoS ONE}, volume = {12}, year = {2017}, month = {MAR}, abstract = {Visceral leishmaniasis (VL) is a deadly neglected tropical disease that poses a serious problem in various countries all over the world. Implementation of various intervention strategies fail in controlling the spread of this disease due to issues of parasite drug resistance and resistance of sandfly vectors to insecticide sprays. Due to this, policy makers need to develop novel strategies or resort to a combination of multiple intervention strategies to control the spread of the disease. To address this issue, we propose an extensive SIR-type model for anthroponotic visceral leishmaniasis transmission with seasonal fluctuations mod-eled in the form of periodic sandfly biting rate. Fitting the model for real data reported in South Sudan, we estimate the model parameters and compare the model predictions with known VL cases. Using optimal control theory, we study the effects of popular control strategies namely, drug-based treatment of symptomatic and PKDL-infected individuals, insecticide treated bednets and spray of insecticides on the dynamics of infected human and vector populations. We propose that the strategies remain ineffective in curbing the disease individually, as opposed to the use of optimal combinations of the mentioned strategies. Testing the model for different optimal combinations while considering periodic seasonal fluctuations, we find that the optimal combination of treatment of individuals and insecticide sprays perform well in controlling the disease for the time period of intervention introduced. Performing a cost-effective analysis we identify that the same strategy also proves to be effi-cacious and cost-effective. Finally, we suggest that our model would be helpful for policy makers to predict the best intervention strategies for specific time periods and their appropriate implementation for elimination of visceral leishmaniasis.}, doi = {10.1371/journal.pone.0172465}, author = {Biswas, Santanu and Subramanian, Abhishek and Elmojtaba, Ibrahim M. and Chattopadhyay, Joydev and Sarkar, Ram Rup} } @article {44155, title = {Organo-photoredox catalyzed oxidative dehydrogenation of N-heterocycles}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {OCT}, pages = {14167-14172}, type = {Article}, abstract = {We report here for the first time the catalytic oxidative dehydrogenation of N-heterocycles by a visible-light organo-photoredox catalyst with low catalyst loading (0.1-1mol\%). The reaction proceeds efficiently under base- and additive-free conditions with ambient air at room temperature. The utility of this benign approach is demonstrated by the synthesis of various pharmaceutically relevant N-heteroarenes such as quinoline, quinoxaline, quinazoline, acridine, and indole.}, doi = {10.1002/chem.201703642}, author = {Sahoo, Manoj K. and Jaiswal, Garima and Rana, Jagannath and Balaraman, Ekambaram} } @article {44159, title = {Orthogonally functionalized donor/acceptor homo- and heterodimeric dyes for dye-sensitized solar cells: an approach to introduce panchromaticity and control the charge recombination}, journal = {ACS Applied Materials \& Interfaces}, volume = {9}, year = {2017}, month = {OCT}, pages = {34875-34890}, type = {Article}, abstract = {Organic dyes possessing conjugated pi-framework forms closely packed monolayers on photoanode in dye-sensitized solar cell (DSSC), because of the limitation to control the orientation and the extend of intermolecular pi-pi interaction, self-aggregation of dyes leads to reduced cell performance. In this report, a series of homodimeric (D-1-D-1, and D-2,-D-2) and heterodimeric (D-1-D-2 and D-2-D-4) donor/acceptor (D/A) dyes containing spiroBiProDOT pi-spacer were designed and synthesized by utilizing Pd-catalyzed direct arylation reaction and correlates the device performance with monomeric dyes (D-1 and D-2). Both the thiophenes (pi-spacer) of spiroBiProDOT were functionalized with same or different donor groups which led to homodimeric and heterodimeric chromophores in a single sensitizer. The homodimeric spirodye D-1-D-1 showed higher power conversion efficiency (PCE), of 7.6\% with a V-oc and J(sc) of 0.672 V and 16.16 mA/cm(2), respectively. On the other hand, the monomeric D-1 exhibited a PCE of 3.2\% (V-oc of 0.64 V and J(sc) of 7.2 mA/cm(2)); which is lower by 2.4 fold compared to dimeric analogue. The spiro-unit 20 provides flexibility between the incorporated chromophores to orient on TiO2 due to four sp(3)-centers, which arrest the molecular motions after chemisorption. This study shows a new molecular approach to incorporate two chromophores in the dimeric dye possessing complementary absorption characteristics toward panchromatic absorption. The attenuated charge recombination at TiO2/Dye/redox couple interface in case of D-1-D-1, owing to better passivation of TiO2 surface, was elucidated through impedance analysis. The FT-IR spectrum of D,-D, adsorbed on TiO2 film indicated both the carboxylic units were involved in chemisorption which makes strong coupling between dye and TiO2.}, doi = {10.1021/acsami.7b09010}, author = {Sil, Manik Chandra and Sudhakar, Vediappan and Kavungathodi, Munavvar Fairoos Mele and Punitharasu, Vellimalai and Nithyanandhan, Jayaraj} } @article {44116, title = {Overcoming the lack of oral availability of cyclic hexapeptides: design of a selective and orally available ligand for the integrin alpha v beta 3}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {DEC}, pages = {16405-16409}, type = {Article}, abstract = {Ahighly systematic approach for the development of both orally bioavailable and bioactive cyclic N-methylated hexapeptides as high affinity ligands for the integrin alpha v beta 3 is based on two concepts: a) screening of systematically designed libraries with spatial diversity and b) masking of the peptide charge with a lipophilic protecting group. The key steps of the method are 1) initial design of a combinatorial library of Nmethylated analogues of the stem peptide cyclo(d-Ala-Ala(5)); 2) selection of cyclic peptides with the highest intestinal permeability; 3) design of sublibraries with the bioactive RGD sequence in all possible positions; 4) selection of the best ligands for RGD-recognizing integrin subtypes; 5) finetuning of the affinity and selectivity by additional Ala to Xaa substitutions; 6) protection of the charged functional groups according to the prodrug concept to regain intestinal and oral permeability; 7) proof of biological effects in mice after oral administration.}, doi = {10.1002/anie.201709709}, author = {Weinmueller, Michael and Rechenmacher, Florian and Marelli, Udaya Kiran and Reichart, Florian and Kapp, Tobias G. and Raeder, Andreas F. B. and Di Leva, Francesco Saverio and Marinelli, Luciana and Novellino, Ettore and Munoz-Felix, Jose M. and Hodivala-Dilke, Kairbaan and Schumacher, Adi and Fanous, Joseph and Gilon, Chaim and Hoffman, Amnon and Kessler, Horst} } @article {44013, title = {Oviposition and feeding behaviour of Xanthopimpla pedator (Fabricius) (Hymenoptera: Ichneumonidae) on tropical tasar silkworm, Antheraea mylitta (Drury) (Lepidoptera: Saturniidae)}, journal = {Journal of Asia-Pacific Entomology}, volume = {20}, year = {2017}, month = {SEP}, pages = {977-983}, type = {Journal Article}, abstract = {Xanthopimpla pedator is a major pupal endoparasitoid of tropical tasar silkworm, Antheraea mylitta. Extensive parasitism by X. pedator results in pupal (seed) mortality and broken cocoons, which declines the wild tasar silk production. A detailed account is given on the oviposition behaviour of the female X. pedator and feeding behaviour of its immature forms in the pupa of A. mylitta. Scanning electron microscopic (SEM) details of the ovipositor of X. pedator revealed the presence of various mechano- and chemoreceptors, which regulate host discrimination and oviposition behaviour. The oviposition and feeding behaviour of X. pedator were evaluated in the field as well as in situ conditions. In addition, the invasion caused by X. pedator on A. mylitta, are also described. Host-parasitoid interactions are also discussed and recorded frame-by-frame video-graphically. The parasitoid X. pedator, arrests development and eventually the survival of A. mylitta. We also assume that parasitism by X. pedator in tasar culture is due to the microhabitat and food content of pupal host A. mylitta, which favors the development of parasitoid.}, doi = { 10.1016/j.aspen.2017.07.007}, author = {Gathalkar, G.B.}, editor = {Barsagade, D.D.} } @article {43492, title = {Oxidant mediated one-step complete conversion of multi-walled carbon nanotubes to graphene quantum dots and their bioactivity against mammalian and bacterial cells}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {JAN}, pages = {785-796}, abstract = {It is essential for any antibacterial agent (for clinical applications) that it should have high and selective toxicity towards bacterial cells only, and should not affect the human cells at the concentration used. Graphene quantum dots (GQDs) have emerged as a potential candidate for biomedical applications. However, a simple, low cost, safe, easy to execute, one-step synthesis of uniform and monodispersed GQDs with selective toxicity towards bacterial cells rather than mammalian cells is difficult to achieve. Herein, we have reported a one-step, low-cost, aqueous-phase, simple approach for the complete conversion of multi-walled carbon nanotubes into water-dispersible GQDs with an average size of similar to 3 nm using sodium bismuthate (NaBiO3) as a strong oxidant. The cyclic voltammetry and X-ray photoelectron spectroscopy results indicated that the as-synthesized GQDs suspension possess almost negligible amounts of metallic impurities. The cytotoxicity studies of GQDs against mammalian NIH 3T3 (mouse embryo fibroblast cells) and HEK 293T (human embryonic kidney cells) cells showed that the as-synthesized GQDs were non-cytotoxic up to the concentration of similar to 200 mu g mL(-1). The antimicrobial study shows that the synthesized GQDs have high and selective toxicity towards bacterial cells with a minimum inhibitory concentration of similar to 256 mu g mL(-1) for E. coli and B. subtilis and similar to 512 mu g mL(-1) for P. aeruginosa and S. aureus. The scanning electron microscopy and atomic force microscopy images show extensive cell damage via the perturbation of bacterial cell walls, which was consistent with the enhancement of reactive oxygen species production by almost two times in the bacterial cells upon incubation with similar to 256 mu g mL(-1) GQDs. Our study suggested that the as-synthesized GQDs can be used as a potential candidate for clinical applications as they possess high toxicity to bacterial cells and low toxicity to mammalian cells.}, doi = {10.1039/c6tb02446g}, author = {Biswas, Anupam and Khandelwal, Puneet and Das, Raja and Salunke, Gayatri and Alam, Aftab and Ghorai, Suvankar and Chattopadhyay, Samit and Poddar, Pankaj} } @article {43360, title = {Oxidative intramolecular 1,2-amino-oxygenation of alkynes under Au I /Au III catalysis: discovery of a pyridinium-oxazole dyad as an ionic fluorophore}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {JAN}, pages = {757 - 761}, doi = {10.1002/ange.201609335}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh Sadanand and Rajamohanan, Pattuparambil R. and Kulkarni, Prasad Padmakar and Patil, Nitin T.} } @article {43482, title = {Oxidative intramolecular 1,2-amino-oxygenation of alkynes under Au-I/Au-III catalysis: discovery of a pyridinium-oxazole dyad as an ionic fluorophore}, journal = {Angewandte Chemie-International Edition}, volume = {56}, year = {2017}, month = {JAN}, pages = {757-761}, abstract = {Oxidative intramolecular 1,2-amino-oxygenation reactions, combining gold(I)/gold(III) catalysis, is reported. The reaction provides efficient access to a structurally unique ionic pyridinium-oxazole dyad with tunable emission wavelengths. The application of these fluorophores as potential biomarkers has been investigated.}, doi = {10.1002/anie.201609335}, author = {Shaikh, Aslam C. and Ranade, Dnyanesh S. and Rajamohanan, Pattuparambil R. and Kulkarni, Prasad P. and Patil, Nitin T.} } @inbook {45798, title = {Palladacycles for directed and nondirected C H bond functionalization of (Hetero)arenes}, booktitle = {Strategies for palladium-catalyzed non-directed and directed C-H bond functionalization}, year = {2017}, pages = {357-415}, publisher = {Elsevier}, organization = {Elsevier}, chapter = {Chapter 10 - palladacycles for directed and nondirected CH nond functionalization of (Hetero)arenes}, address = {Mumbai}, abstract = {Application of palladacycle complexes in catalytic organic transformation is rapidly expanding. This chapter is mainly focused on the use of palladacycle precatalysts in CH bond functionalizations, as well as an overview of palladacycle intermediates in directed CH bond functionalization reactions. The described palladacycle precatalysts are more efficient and more selective than the traditional palladium complexes for CH bond functionalization processes. The second part of the chapter summarizes the involvement of palladacycle intermediates in various directed CH bond functionalizations that are proposed with experimental evidence. Some of the palladacycle intermediates described are shown to be competent as catalyst precursors. It has been demonstrated that the formation of palladacycle (precatalyst or intermediate) makes the CH functionalization process more facile, because of the high stability associated with palladacycles.}, issn = {978-0-12-805254-9}, doi = {10.1016/B978-0-12-805254-9.00010-4}, author = {Soni, Vineeta and Punji, Benudhar} } @article {43960, title = {Palladium supported ionic liquid phase catalyst (Pd@SILP-PS) for room temperature Suzuki-Miyaura cross-coupling reaction}, journal = {Molecular Catalysis}, volume = {442}, year = {2017}, month = {DEC}, pages = {126-132}, type = {Journal Article}, abstract = {

A new Pd-SILP based on amino functionalized imidazolium ionic liquid immobilized on Merrifield resin (Pd@SILP-PS) has been synthesized. The catalyst was characterized by different techniques like FT-IR, SEM-EDS, TEM, TGA-DTA and XPS. The catalyst has shown to be highly active in Suzuki-Miyaura cross-coupling reaction of various aryl halides and aryl boronic acids in ethanol at room temperature. The activity of catalyst and the nature of product were highly dependent on the type of the solvent used, as well as the substituents present on the aryl halides. The protic polar solvent ethanol gave desired cross-coupling product in good to excellent yields at room temperature. However the aprotic polar solvent THF gave homocoupling product. The catalyst showed at least five times recyclability without a decrease in product yield.

}, keywords = {Immobilization, Ionic liquid, Palladium, SILP, Suzuki-Miyaura reaction}, doi = {10.1016/j.mcat.2017.08.023}, author = {More, S. and Jadhav, S and Salunkhe, R. and Kumbhar, A.} } @article {43309, title = {Panchromatic sensitizer for dye-sensitized solar cells: un-symmetrical squaraine dyes incorporating benzodithiophene π-spacer with alkyl chains to extend conjugation, control the dye assembly on TiO2 and retard charge recombination}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {JAN}, pages = {1920{\textendash}1930}, abstract = {Metal-free near-infrared (NIR) active unsymmetrical squaraine dyes, RSQ1 and RSQ2, with benzodithiophene (BDT) π-spacer and cyanoacrylic acid acceptor were synthesized by utilizing palladium catalyzed direct (hetero)arylation reaction. Methyl and 2-ethylhexyl groups were strategically placed at the BDT unit for RSQ1 and RSQ2 respectively, to investigate the effect of alkylated π-spacer on dye aggregation on the TiO2 surface and recombination reactions at TiO2/dye/electrolyte interface. These dyes have strong absorption ( ε>10(5) M(-1)cm(-1)) in near-infra red (NIR) region and exhibit similar optical and electrochemical properties as they have same conjugated framework. RSQ2 performed better than RSQ1 owing to its higher open-circuit voltage (Voc) and fill factor (ff) in spite of having comparable short-circuit current density (Jsc). The panchromatic incident photon-to-current conversion efficiency (IPCE) response was also observed for both the dyes. RSQ2 showed power conversion efficiency (PCE) of 6.72\% with short-circuit current density (Jsc) of 18.53 mA/cm(2), open circuit voltage (Voc) of 0.538 V, and fill factor (ff) of 67.4\%, without any co-adsorbent. Attenuation of the charge recombination for RSQ2 was revealed by electrochemical impedance analysis (EIS) and open-circuit potential decay transients (OCVD), which attributes to its higher Voc and ff in comparison to RSQ1. }, doi = {10.1021/acs.joc.6b02670}, author = {Bisht, Rajesh and Munavvar, Fairoos Mk and Singh, Ambarish Kumar and Nithyanandhan, Jayaraj} } @article {43796, title = {Partially bio-based poly(amide imide)s by polycondensation of aromatic diacylhydrazides based on lignin-derived phenolic acids and aromatic dianhydrides: synthesis, characterization, and computational studies}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {55}, year = {2017}, month = {NOV}, pages = {3636-3645}, type = {Article}, abstract = {

Two new bio-based diacylhydrazide monomers, namely, 4,4-(propane-1,3-diylbis(oxy))bis(3-methoxybenzohydrazide) and 4,4-(propane-1,3-diylbis(oxy))bis(3,5-dimethoxybenzohydrazide) were synthesized starting from lignin-derived phenolic acids, namely, vanillic acid and syringic acid. A series of poly(amide imide)s was synthesized by polycondensation of these diacylhydrazide monomers with commercially available aromatic dianhydrides. Poly(amide imide)s showed inherent viscosity in the range 0.44-0.56 dLg(-1) and exhibited good solubility in organic solvents. Poly(amide imide)s could be cast into transparent, flexible, and tough films from their N,N-dimethylacetamide solutions. Poly(amide imide)s showed 10\% weight loss in the temperature range 340-364 degrees C indicating their good thermal stability. Glass transition temperature (T-g) of poly(amide imides)s were measured by DSC and DMA which were in the range 201-223 degrees C and 214-248 degrees C, respectively. The T-g values of poly(amide imide)s were dependent on the number methoxy substituents on aromatic rings of diacylhydrazide monomers. Molecular dynamics simulation studies revealed that chain rigidity is the dominant factor for observed trends in T-g. (c) 2017 Wiley Periodicals, Inc.

}, keywords = {Biobased Polymers, Computational studies, Glass-transaction temperature, lignin, Monomers, Plant oils, Polyimide, Reneable resources, Renewable resources, Step-growth polymers, structure-property relations, Sustanaible Polymers, Thermal night, Thermosetting resins, Vanillin}, issn = {0887-624X}, doi = {10.1002/pola.28748}, author = {Kuhire, Sachin S. and Sharma, Pragati and Chakrabarty, Suman and Wadgaonkar, Prakash P.} } @article {43897, title = {Partially bio-based processable polyimides based on aromatic diamine derived from cardanol}, journal = {green Materials}, volume = {5}, year = {2017}, month = {JUN}, type = {Article}, abstract = {A partially bio-based aromatic diamine, namely, 1,1-bis(4-aminophenyl)-3-pentadecylcyclohexane (BAC15) was synthesized starting from cardanol. A series of polyimides were synthesized by one-step high-temperature solution polycondensation of BAC15 with aromatic dianhydrides. Copolyimides were also synthesised by polycondensation of various compositions of BAC15 and 4,4{\textquoteright}-oxydianiline with 3,3{\textquoteright},4,4{\textquoteright}-biphenyl tetracarboxylic dianhydride. Inherent viscosities and number average molecular weights of (co)polyimides were in the range 0.33-1.4 dL/g and 14700-31900 g/mol, respectively, indicating formation of reasonably high molecular weight polymers. Polyimides were soluble in common organic solvents such as chloroform, dichloromethane and tetrahydrofuran and could be cast into transparent, flexible and tough films from their solutions in chloroform. (Co)polyimides exhibited Tg in the range 161{\textendash}254 {\textdegree}C. The lowering of Tg could be attributed to the presence of flexible pentadecyl chains which act as {\textquotedblleft}packing disruptive{\textquotedblright} groups. The temperature at 10\% weight loss (T10) of (co)polyimides was in the range 490{\textendash}515 {\textdegree}C demonstrating their good thermal stability. The virtue of solubility and large gap between Tg and T10 offers (co)polyimides opportunities of both solution as well as melt processability. Copolyimides containing pendent pentadecyl chains exhibited pretilt angle in the range 2.51-2.75{\textdegree} indicating their potential application as alignment layer in liquid crystal display devices.}, doi = {10.1680/jgrma.17.00010}, author = {Shingte, Rahul D. and Tawade, Bhausaheb V. and Wadgaonkar, Prakash P.} } @article {45729, title = {PD@SBA-15 Nanocomposite catalyst: synthesis and efficient solvent-free semihydrogenation of phenylacetylene under mild conditions}, journal = {Microporous and Mesoporous Materials}, volume = {241}, year = {2017}, month = {MAR }, pages = {266-273}, type = {Article}, abstract = {

Pd-0 nanoparticles (NPs) have been fabricated on SBA-15 using a facile, rapid and highly reproducible microwave-assisted reduction by solvent method. The as-synthesized Pd@SBA-15 nanocomposite was well characterized using low angle and wide angle XRD, TEM, FE-SEM, N-2 adsorption-desorption isotherm, FTIR, XPS etc. The Pd@SBA-15 nanocomposite act as an active, recyclable heterogeneous catalyst for semihydrogenation of phenylacetylene under solvent-free mild reaction conditions (303 K, atmospheric H-2). A maximum of 94.4\% phenylacetylene conversion was achieved with very high selectivity for styrene (95.5\%). Moreover, the used catalyst was recovered by centrifugation and reused up to four times without significant loss in their catalytic activity. This optimized reaction protocol for phenylacetylene was also well performed in case of various other alkynes with similar or better performance. (C) 2016 Elsevier Inc. All rights reserved.

}, keywords = {Pd-0 nanoparticles, Phenylacetylene, SBA-15, Semihydrogenation, Solvent-free}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2016.12.025}, author = {Bhuyan, Diganta and Selvaraj, Kaliaperumal and Saikia, Lakshi} } @article {45766, title = {Penicillin V acylases from gram-negative bacteria degrade N-acylhomoserine lactones and attenuate virulence in Pseudomonas aeruginosa}, journal = {Applied Microbiology and Biotechnology}, volume = {101}, year = {2017}, month = {MAR}, pages = {2383-2395}, type = {Article}, abstract = {

Virulence pathways in gram-negative pathogenic bacteria are regulated by quorum sensing mechanisms, through the production and sensing of N-acylhomoserine lactone (AHL) signal molecules. Enzymatic degradation of AHLs leading to attenuation of virulence (quorum quenching) could pave the way for the development of new antibacterials. Penicillin V acylases (PVAs) belong to the Ntn hydrolase superfamily, together with AHL acylases. PVAs are exploited widely in the pharmaceutical industry, but their role in the natural physiology of their native microbes is not clearly understood. This report details the characterization of AHL degradation activity by homotetrameric PVAs from two gram-negative plant pathogenic bacteria, Pectobacterium atrosepticum (PaPVA) and Agrobacterium tumefaciens (AtPVA). Both the PVAs exhibited substrate specificity for degrading long-chain AHLs. Exogenous addition of these enzymes into Pseudomonas aeruginosa greatly diminished the production of elastase and pyocyanin and biofilm formation and increased the survival rate in an insect model of acute infection. Subtle structural differences in the PVA active site that regulate specificity for acyl chain length have been characterized, which could reflect the evolution of AHL-degrading acylases in relation to the environment of the bacteria that produce them and also provide strategies for enzyme engineering. The potential for using these enzymes as therapeutic agents in clinical applications and a few ideas about their possible significance in microbial physiology have also been discussed.

}, keywords = {N-acylhomoserine lactone acylase, Ntn hydrolase, pathogenesis, Penicillin Vacylase, Quorum quenching}, issn = {0175-7598}, doi = {10.1007/s00253-016-8031-5}, author = {Sunder, Avinash Vellore and Utari, Putri Dwi and Ramasamy, Sureshkumar and van Merkerk, Ronald and Quax, Wim and Pundle, Archana} } @article {44405, title = {Perspective article: flow synthesis of functional materials}, journal = {Journal of Flow Chemistry}, volume = {7}, year = {2017}, month = {SEP}, pages = {96-105}, abstract = {Continuous-flow synthesis of specific functional materials is now seen as a reliable synthesis approach that gives consistent product properties. This perspective article aims to survey recent work in some of the relevant areas and to identify new domains where flow synthesis of functional materials can be better than the conventional synthesis methods. It also emphasizes the need for developing high-throughput integrated synthesis and screening systems for almost all functional materials so that laboratory-scale recipes can be transformed into reliable manufacturing processes. New areas relevant to functional materials which have remained unexplored in flow synthesis are also highlighted.}, doi = {10.1556/1846.2017.00028}, author = {Sebastian, Victor and Khan, Saif A. and Kulkarni, Amol A.} } @article {42969, title = {Phenothiazine-based D-A-π-A dyes for highly efficient dye sensitized solar cells: effect of internal acceptor and non-conjugated π-spacer on device performance}, journal = {ChemPlusChem}, volume = {82}, year = {2017}, month = {FEB}, pages = {280-286}, abstract = {Three new D-A-pi-A metal-free organic dyes based on phenothiazine as a donor (D) and non-conjugated pi-spacer were designed and synthesized. The incorporation of different {\textquoteright}internal acceptors{\textquoteright} (electron traps) such as benzothiadiazole (BTD), benzotriazole (BTA), and pyridine were shown to allow systematic tuning of the energy levels and the photophysical properties. The AI-1 dye showed lower electronic disorder compared with the other two dyes. The efficiencies achieved with AI-1, AI-2, and AI-3 dyes were 8.5\% (J(sc) = 15.42 mA cm(-2), V-oc = 0.78 V, FF = 68\%), 7\% (J(sc) = 12.8 mA cm(-2), V-oc = 0.78 V, FF = 68\%) and 6.7\% (J(sc) = 11.57 mA cm(-2), V-oc = 0.82 V, FF = 68.26 \%), respectively. The incorporation of non-conjugated phenothiazine as a p-spacer in D-A-pi-A dyes showed remarkable enhancement in the photovoltaic performance of dye-sensitized solar cell (DSSC) devices. The sealed DSSC devices with iodide/tri-iodide (I-/I-3(-) @)based liquid electrolyte showed promising stability under ambient conditions.}, doi = {10.1002/cplu.201600492}, author = {Nagane, Satyawan and Ichake, Amol and Agrawal, Ishita and Sadhanala, Aditya and Friend, Richard H. and Ogale, Satishchandra and Wadgaonkar, Prakash P.} } @inbook {45800, title = {Photocatalytic degradation of herbicide by using aeroxide{\textregistered}P-90 TiO2 photocatalyst and photo-fenton process in the presence of artificial and solar radiation}, booktitle = {Novel water treatment and separation methods: simulation of chemical processes}, year = {2017}, pages = {1-18}, publisher = {CRC Press}, organization = {CRC Press}, edition = {1}, chapter = {Photocatalytic degradation of herbicide by using aeroxide{\textregistered}P-90 TiO2 photocatalyst and photo-fenton process in the presence of ar}, address = {New York}, abstract = {The presence of herbicide residues in the aquatic environment is an emerging issue due to their uncontrolled release through water and accumulation in the environment that may affect living organisms, environment, and public health. Consequently, the efforts are being made to develop the viable methods to eliminate the herbicides from the environment. The degradation of herbicide particularly amitrole has been investigated in aqueous solutions by using artificial and solar radiation. The effect of Aeroxide TiO2 P-90 photocatalyst loading (1-4 g L-1) on photocatalytic degradation of amitrole (50 mg L-1) was investigated. The degradation of amitrole (initial concentration ranging from 20 to 100 mg L-1) also studied by using photo-Fenton process (FeSO4 (10-30 mg L-1) and H2O2 (100-300 mg L-1)). The effect of pH (3-11), effect of co-existing salts (ammonium sulfate, sodium chloride, and sodium carbonate) as well as effect of type of radiation (artificial or solar radiation) on the degradation of amitrole was evaluated and optimized. The degradation of amitrole was accompanied by formation of intermediates which were detected by LC-MS. According to the results presented in this study, the photo-Fenton process using solar radiation is an efficient technique for degradation of amitrole.}, isbn = {978-177188578-2}, issn = {978-135184676-9}, doi = {10.1201/9781315225395}, author = {Telang, T., and Deosarkar, M.P. and Shetty, R. and Kamble, S.P.} } @article {44031, title = {Photocatalytic degradation of pharmaceuticals pollutants using N-doped TiO 2 photocatalyst: identification of CFX degradation intermediates}, journal = {Indian Chemical Engineer}, volume = {59}, year = {2017}, month = {FEB}, type = {Article}, abstract = {The N-doped TiO2 photocatalyst was synthesized by the sol{\textendash}gel method and characterized in detail in terms of its morphology, structure and composition. The prepared N-doped TiO2 exhibited polycrystalline structure having particle sizes of around 50{\textendash}120 nm and rod-shaped geometry. The N-doped TiO2 was subsequently used for the photocatalytic degradation (PCD) of pharmaceutical micropollutants, namely ciprofloxacin HCl (CFX), naproxen (NPX) and paracetamol (PARA) and it was found that the rate of degradation of CFX and NPX is higher than that of PARA. To verify the beneficial effect of N-doped TiO2 for PCD of CFX, similar experiments were carried out using commercially available Aeroxide P-25 TiO2. It was observed that N-doped TiO2 was more efficient than Aeroxide{\textregistered} P-25 TiO2. It was also found that the PCD of CFX in the presence of N-doped TiO2 was highly efficient under the solar radiation as compared with artificial radiation. The effect of various operating parameters, such as adsorption of CFX, pH of the aqueous solution, effect of co-existing ions on PCD of CFX, was investigated using artificial radiation and optimum conditions were established. The intermediates formed during the PCD of CFX were identified using liquid chromatography tandem mass chromatography (LC-MS/MS). The presented results demonstrate that N-doped TiO2 photocatalyst shows excellent photocatalytic activity in the visible region for the degradation of pharmaceutical pollutants.}, doi = {10.1080/00194506.2016.1150794}, author = {Shetty, Rohit and Chavan, Vilas B. and Kulkarni, Prashant Shripad and Kulkarni, Bhaskar D. and Kamble, Sanjay P.} } @article {43529, title = {Physical mechanism behind enhanced photoelectrochemical and photocatalytic properties of superhydrophilic assemblies of 3D-TiO2 microspheres with arrays of oriented, single-crystalline TiO2 nanowires as building blocks deposited on fluorine-doped tin oxid}, journal = {ACS Applied Materials \& Interfaces}, volume = {9}, year = {2017}, month = {MAR}, pages = {11202-11211}, abstract = {In comparison to the one-dimensional (1D) semiconductor nanostructures, the hierarchical, three-dimensional (3D) microstructures, composed of the arrays of 1D nanostructures as building blocks, show quite unique physicochemical properties due to efficient photon capture and enhanced surface to volume ratio, which aid in advancing the performance of various optoelectronic devices. In this contribution, we report the fabrication of surfactant-free, radially assembled, 3D titania (rutile-phase) microsphere arrays (3D-TMSAs) composed of bundles of single-crystalline titania nanowires (NWs) directly on fluorine-doped conducting oxide (FTO) substrates with tunable architecture. The effects of growth parameters on the morphology of the 3D-TMSAs have been studied thoroughly. The 3D-TMSAs grown on the FTO-substrate showed superior photon-harvesting owing to the increase in light-scattering. The photocatalytic and photon to electron conversion efficiency of dye sensitized solar cells (DSSC), where the optimized 3D-TMSAs were used as an anode, showed around 44\% increase in the photoconversion efficiency compared to that of Degussa P-25 as a result of the synergistic effect of higher surface area and enhanced photon scattering probability. The TMSA film showed superhydrophilicity without any prior UV irradiation. In addition, the presence of bundles of almost parallel NWs led to the formation of arrays of microcapacitors, which showed stable dielectric performance. The fabrication of single-crystalline, oriented, self-assembled TMSAs with bundles of titania nanowires as their building blocks deposited on transparent conducting oxide (TCO) substrates has vast potential in the area of photoelectrochemical research.}, doi = {10.1021/acsami.6b15420}, author = {Sadhu, Subha and Gupta, Preeti and Poddar, Pankaj} } @article {43537, title = {Phytase production by aspergillus niger NCIM 563 for a novel application to degrade organophosphorus pesticides}, journal = {AMB Express}, volume = {7}, year = {2017}, month = {MAR}, pages = {Article Number: 66}, abstract = {The production of phytase using Aspergillus niger NCIM 563 under submerged fermentation conditions was studied using protein rich chickpea flour as substrate. Employing a hybrid statistical media optimization strategy of Plackett-Burman and Box-Behnken experimental designs in shake-flasks gave an increased phytase activity from an initial 66 IU/mL in 216 h to 160 IU/mL in a reduced time of 132 h. Productivity, thus increased by 3.97 times from 7.3 to 29 IU/mL/day. Using the optimized media, the production was successfully scaled-up further and improved up to 164 IU/mL in 96 h by studies carried out employing 2 and 10-L fermenters. The enzyme supernatant was recovered using centrifugal separation of biomass and the stability of the produced phytase was tested for animal feed applications under gastric conditions. In vitro degradation studies of water soluble monocrotophos, methyl parathion and water insoluble chlorpyrifos, pesticides used extensively in agriculture was carried out. It was observed by HPLC analysis that phytase could degrade 72\% of chlorpyrifos at pH 7.0, 35 degrees C. Comparable results were obtained with monocrotophos and methyl parathion. With chlorpyrifos at higher temperature 50 degrees C as much as 91\% degradation could be obtained. The degradation of chlorpyrifos was further validated by spraying phytase on harvested green chilli ( Capsicum annuum L) under normal conditions of pH 7.0, 35 degrees C and the degradation products obtained analyzed by LCMS. Thus, the present study brings out a potentially novel application of phytase for biodegradation of organophosphorus pesticides.}, doi = {10.1186/s13568-017-0370-9}, author = {Shah, Parin C. and Kumar, V. Ravi and Dastager, Syed G. and Khire, Jayant M.} } @article {43922, title = {Pilot-scale pretreatments of sugarcane bagasse with steam explosion and mineral acid, organic acid, and mixed acids: synergies, enzymatic hydrolysis efficiencies, and structure-morphology correlations}, journal = {Biomass Conversion and Biorefinery}, volume = {7}, year = {2017}, month = {SEP}, pages = {179-189}, type = {Article}, abstract = {In lignocellulosic (LC) ethanol processes, to facilitate enzymatic hydrolysis of cellulose, a physical chemical pretreatment is vital. In this study, we explored a single as well as a two-step physical-chemical pretreatment involving steam and mixed acid on unwashed sugarcane bagasse at pilot-scale level in a continuous horizontal reactor. To serve as a large-scale model, pretreatments were carried out at high solid levels of 18{\textendash}20 \% w/w. For the pretreatment, partial replacement of corrosive sulfuric acid with a milder acid-like oxalic acid was explored to derive possible advantages and synergies accruing by using a mixture of mineral acid and organic acid. The results of this work showed that first-step pretreatment carried out by the mixing of sulfuric acid (1.5 \% w/w) and oxalic acid (1.5 \% w/w) at 150 {\textdegree}C followed by a second-step steam explosion pretreatment at 180 {\textdegree}C gave significant synergies and advantages over other variants of pretreatments investigated, such as lower inhibitor levels and lower reaction severity. On post-pretreated bagasse, this study conducted comparative enzymatic hydrolysis study using a simple lab enzyme and a robust commercial enzyme. It was found that the addition of Tween 80 to the lab enzyme improved its performance to match the performance of the commercial enzyme. Scanning electron microscopy (SEM) studies were further carried out to correlate the morphology of pretreated samples with efficiency of enzyme hydrolysis. Besides morphological study, Fourier transform infrared (FTIR) studies of pretreated samples showed higher syringyl/guaiacyl ratio for all pretreatments, indicating lower levels of pseudo-lignins, which is beneficial for improved enzyme hydrolysis.}, doi = {10.1007/s13399-016-0220-z}, author = {Pal, Siddhartha and Joy, Shereena and Kumbhar, Pramod S. and Trimukhe, Kalpana D. and Gupta, Rishi and Kuhad, Ramesh Chander and Varma, Anjani J. and Shankar, Sasi} } @article {42543, title = {Pinched tube flow reactor: hydrodynamics and suitability for exothermic multiphase reactions}, journal = {AIChE Journal}, volume = {63}, year = {2017}, month = {JAN}, pages = {358{\textendash}365}, abstract = {

A novel tubular flow reactor where a straight tube is modified by pinching it periodically at a fixed pitch and at different angles is presented. Pinched tubes (straight tube as well as helical coils) with different pitch and angles between successive pinching are studied. This work reports a detailed hydrodynamic study involving single and two-phase flow. Mixing experiments showed that having an angle of 90{\textdegree} between successive pinchs achieves the shortest mixing length when compared to lower angles. Pressure recovery along with sequence of high and low shear zones and change of flow direction imposed better mixing. Residence time distribution studies showed that higher number of pinch sections decreases the extent of dispersion, yet it deviates from plug flow. The performance is evaluated by carrying a homogeneous and two-phase aromatic nitration and also liquid-liquid extraction. Pinched tube presents an economical option as a flow reactor for conducting exothermic reactions. {\textcopyright} 2016 American Institute of Chemical Engineers AIChE J, 2016

}, keywords = {pinched tube flow reactor; pressure drop; residence time distribution; mass transfer; reactions}, doi = {10.1002/aic.15498}, author = {Sharma, Mrityunjay K. and Potdar, Shital B. and Kulkarni, Amol A.} } @article {45673, title = {Plant cholesterol biosynthetic pathway overlaps with phytosterol metabolism}, journal = {Nature Plants}, volume = {3}, year = {2017}, month = {JAN}, type = {Article}, abstract = {The amount of cholesterol made by many plants is not negligible. Whereas cholesterogenesis in animals was elucidated decades ago, the plant pathway has remained enigmatic. Among other roles, cholesterol is a key precursor for thousands of bioactive plant metabolites, including the well-known Solanum steroidal glycoalkaloids. Integrating tomato transcript and protein co-expression data revealed candidate genes putatively associated with cholesterol biosynthesis. A combination of functional assays including gene silencing, examination of recombinant enzyme activity and yeast mutant complementation suggests the cholesterol pathway comprises 12 enzymes acting in 10 steps. It appears that half of the cholesterogenesis-specific enzymes evolved through gene duplication and divergence from phytosterol biosynthetic enzymes, whereas others act reciprocally in both cholesterol and phytosterol metabolism. Our findings provide a unique example of nature{\textquoteright}s capacity to exploit existing protein folds and catalytic machineries from primary metabolism to assemble a new, multi-step metabolic pathway. Finally, the engineering of a {\textquoteright}high-cholesterol{\textquoteright} model plant underscores the future value of our gene toolbox to produce high-value steroidal compounds via synthetic biology.}, doi = {10.1038/nplants.2016.205}, author = {Sonawane, P. D. and Pollier, J. and Panda, S. and Szymanski, J. and Massalha, H. and Yona, M. and Unger, T. and Malitsky, S. and Arendt, P. and Pauwels, L. and Almekias-Siegl, E. and Rogachev, I. and Meir, S. and Cardenas, P.D. and Masri, A. and Petrikov, M. and Schaller, H. and Schaffer, A. A. and Kamble, A. and Giri, A. P. and Goossens, A. and Aharoni, A.} } @article {44092, title = {Polylactic acid (PLA) biocomposites filled with waste leather buff (WLB)}, journal = {Journal of Polymers and the Environment}, volume = {25}, year = {2017}, month = {DEC}, pages = {1099-1109}, type = {Article}, abstract = {A large amount of leather waste is generated from tanning industries and most of which are disposed of landfill or discharged into the natural water bodies without any treatment, causing environmental problems. The aim of this study is to develop eco-biocomposites using waste leather buff (WLB) as filler in Polylactic acid (PLA) matrix to reduce the environmental issues and provide sustainable solution. WLB/PLA composites were prepared by twins-screw micro extruder varying the WLB content from 2\% to 30 wt\%. These composite were extensively characterise by several techniques. Tensile properties of the composites showed addition of WLB resulted in improvement of tensile property of composite and reduction in percentage crystallinity of PLA matrix observed with increase in WLB content. The effect of WLB on properties of interfacial adhesion and dispersion in WLB/PLA composites were studied by SEM. Wettability of composites was tested by contact angle and water absorption studies. WLB/PLA composite showed increase in water absorption with WLB loading. These WLB/PLA composite could be used to develop low cost eco-friendly product material.}, doi = {10.1007/s10924-016-0891-3}, author = {Ambone, Tushar and Joseph, Seena and Deenadayalan, E. and Mishra, Satyendra and Jaisankar, S. and Saravanan, P.} } @article {43874, title = {Polymer and graphene layer to increase dye regeneration and suppress back electron transfer in dye sensitized solar cells}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {JUN}, pages = {6629-6632}, abstract = {Dye regeneration was improved by using an optimum quantity of graphene, which was dispersed in a polymer that suppresses back electron transfer. Using this approach, DSSCs with an efficiency of 10.4\% have been fabricated.}, doi = {10.1039/c7cc03276e}, author = {Sudhakar, Vediappan and Arulkashmir, Arulraj and Krishnamoorthy, Kothandam} } @article {45719, title = {Polymerization-incompetent uromodulin in the pregnant stroke-prone spontaneously hypertensive rat}, journal = {Hypertension}, volume = {69}, year = {2017}, month = {MAY}, pages = {910+}, type = {Article}, abstract = {

The kidney is centrally involved in blood pressure regulation and undergoes extensive changes during pregnancy. Hypertension during pregnancy may result in an altered urinary peptidome that could be used to indicate new targets of therapeutic or diagnostic interest. The stroke-prone spontaneously hypertensive rat (SHRSP) is a model of maternal chronic hypertension. Capillary electrophoresis-mass spectrometry was conducted to interrogate the urinary peptidome in SHRSP and the control Wistar-Kyoto strain at three time points: prepregnancy and gestational days 12 and 18. The comparison within and between the Wistar-Kyoto and SHRSP peptidome at all time points detected 123 differentially expressed peptides (fold change \>1.5; P\<0.05). Sequencing of these peptides identified fragments of collagen a-chains, albumin, prothrombin, actin, serpin A3K, proepidermal growth factor, and uromodulin. Uromodulin peptides showed a pregnancy-specific alteration in SHRSP with a 7.8-fold (P\<0.01) and 8.8-fold (P\<0.05) increase at gestational days 12 and 18, respectively, relative to the Wistar-Kyoto. Further investigation revealed that these peptides belonged to the polymerization-inhibitory region of uromodulin. Two forms of uromodulin (polymerization competent and polymerization incompetent) were found in urine from both Wistar-Kyoto and SHRSP, where the polymerizationincompetent form was increased in a pregnancy-specific manner in SHRSP. Nifedipine-treated pregnant SHRSP showed only polymerization-competent uromodulin, indicating that calcium may be mechanistically involved in uromodulin polymerization. This study highlights, for the first time, a potential role of uromodulin and its polymerization in hypertensive pregnancy.

}, keywords = {Hypertension, Kidney, Nifedipine, pregnancy, uromodulin}, issn = {0194-911X}, doi = {10.1161/HYPERTENSIONAHA.116.08826}, author = {Mary, Sheon and Small, Heather Yvonne and Siwy, Justyna and Mullen, William and Giri, Ashok and Delles, Christian} } @article {45765, title = {Polymorphism, isostructurality and physicochemical properties of glibenclamide salts}, journal = {CrystEngComm}, volume = {19}, year = {2017}, month = {FEB }, pages = {918-929}, type = {Article}, abstract = {

Novel salts of glibenclamide (GBA), namely glibenclamide-sodium (GBA-Na), glibenclamide-potassium (GBA-K) and glibenclamide-ammonium (GBA-NH4) were crystallized under different conditions to obtain their polymorphs, and their aqueous solubility and hydration stability studies are reported. The GBA-Na salt is dimorphic (forms I and II)and also exists as hydrate GBA-Na-H2O (form III). The GBA-K salt exists in anhydrous and hydrate forms (GBA-K, forms I and II). Crystal structure analysis of GBA-Na forms I and II showed differences in geometry of the central metal atom and ligand orientation. This kind of polymorphism of sulfonyl urea salts appears to be novel in the Cambridge Structural Database (CSD). The iso-structurality of GBA-Na form I with GBA-NH4 and GBA-K form I salts is discussed. The potassium salts of GBA exhibited higher solubility compared to pure GBA. Specifically GBA-K salt forms I and II showed higher solubility by 77 fold in the water and 33 fold in phosphate buffer (pH 7) compared to the other salts. Dynamic vapor sorption (DVS) showed reversible water sorption without hysteresis for all salts, except for GBA-K form II which transformed to form I after a sorption and desorption cycle as confirmed by PXRD.

}, issn = {1466-8033}, doi = {10.1039/c6ce02295b}, author = {Suresh, Kuthuru and Khandavilli, U. B. Rao and Gunnam, Anilkumar and Nangia, Ashwini} } @article {43887, title = {Polymorphs and cocrystals: a comparative analysis}, journal = {Journal of the Indian Institute of Science}, volume = {97}, year = {2017}, month = {JUN}, pages = {193-226}, type = {Article}, abstract = {

Controlling polymorphism has been the subject of vigorous research in the recent past in the pharmaceutical industry due to the distinct physicochemical properties associated with each solid form. Developing cocrystals/salts of active pharmaceutical ingredients (APIs) has gained tremendous research interest in recent years owing to their potential to improve pharmaceutically relevant properties without affecting therapeutic efficacy. It is observed that compounds that exhibit polymorphism and also contain several H bond donor/acceptor groups have a tendency to form cocrystals and sometime even display cocrystal polymorphism, although this tendency cannot be generalized. The aim of this contribution is to correlate crystal structures of some polymorphic APIs and their respective cocrystals to understand the rationale behind a polymorphic compound generating cocrystals. Here, we make an attempt to compare how the conformation of the molecule observed in its polymorphs support the generation of cocrystals/salts. We understand that it is impossible to cover all the polymorphs and their cocrystals/salts available in the CSD; the comparative study has been carried out with a few case studies, wherein APIs displayed polymorphism (conformation) and also formed cocrystals/salts.

}, doi = {doi.org/10.1007/s41745-017-0028-2}, author = {Gonnade, Rajesh G. and Sangtani, Ekta} } @article {44129, title = { Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. part 1: lysozyme aggregation at pH 2 and 7.4}, journal = {Electrochimica Acta}, volume = {254}, year = {2017}, month = {NOV}, pages = {375-383}, type = {Article}, abstract = {Protein instability due to misfolding and aggregation is of big concern for protein based therapeutics because it impacts the bioavailability and immunogenicity of such drugs. The development of simple and cost-effective methods for the analysis of pharmaceutical formulations, indicating the presence or absence of protein aggregates, is consequently of high importance. This work proposes a novel electrochemical interface based on porous reduced graphene oxide coated glassy carbon electrode (GC/prGO) allowing for the early and sensitive identification of protein aggregation by following the change in the oxidative current of the proteins. The novelty of this work lies in the exploration of the ability of GC/prGO interfaces to capture different aggregation behaviors. Lysozyme is used as a model to follow by electrochemistry its aggregation at two pH values, pH 2 and pH 7.4, leading to the formation of amyloid and amorphous aggregates, respectively. Comparing the oxidation peak of lysozyme by differential pulse voltammetry (DPV) for different electrode architectures allowed validating the higher sensitivity of the GC/prGO interface versus bare glassy electrodes or electrodes coated with non-porous reduced graphene oxide. Parallel experiments were performed by fluorescence with thioflavin T, size exclusion chromatography and Atomic Force Microscopy (AFM) imaging. These tests further highlighted the usefulness of GC/prGO electrode to visualize in a fast and reliable manner the changes in the protein structure and the differences between the processes occurring at pH 2 and pH 7.4. In particular, the ability to emphasize changes related to the first steps in aggregation that could be indicative of the aggregation course, recommend the GC/prGO electrode in combination with DPV as a new analytical tool for aggregation studies of biopharmaceuticals. Part 2 of this work will demonstrate later the utility of this approach for the analysis of a fast acting injectable human insulin formulation, Humulin R, used for diabetes treatment as well as for calcitonin. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.electacta.2017.09.083}, author = {Vasilescu, Alina and Boulahneche, Samia and Chekin, Fereshteh and Gaspar, Szilveszter and Medjram, Mohamed Salah and Diagne, Abdou Aziz and Singh, Santosh K. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {43732, title = {Predesigned metal-anchored building block for in situ generation of Pd nanoparticles in porous covalent organic framework: application in heterogeneous tandem catalysis}, journal = {ACS Applied Materials \& Interfaces}, volume = {9}, year = {2017}, month = {APR}, pages = {13785-13792}, type = {Article}, abstract = {The development of nanoparticle-polymer-hybrid-based heterogeneous catalysts with high reactivity and good recyclability is highly desired for their applications in the chemical and pharmaceutical industries: Herein, we have developed a novel synthetic strategy by choosing a predesigned metal-anchored building block for in situ generation of metal (Pd) nanoparticles in the stable, porous, and crystalline covalent organic framework (COF), without using conventional reducing agents. In situ generation of Pd nanoparticles in the COF Skeleton is explicitly confirmed{\textquoteright} from PXRD, XPS, TEM images, and N-15 NMR spectral analysis. This hybrid material is found to be an excellent reusable heterogeneous catalyst for the synthesis of biologically and pharmaceutically important 2-substituted benzofurans from 2-bromophencils and terminal alkynes via a tandem process with the turnover number up to 1101. The heterogeneity of the catalytic process is unambiguously verified by a mercury poisoning experiment and leaching test. This hybrid material shows superior catalytic performance compared to commercially available homogeneous as well as heterogeneous Pd catalysts.}, doi = {10.1021/acsami.7b02355}, author = {Bhadra, Mohitosh and Sasmal, Himadri Sekhar and Basu, Arghya and Midya, Siba P. and Kandambeth, Sharath and Pachfule, Pradip and Balaraman, Ekambaram and Banerjee, Rahul} } @article {43889, title = {Prediction of degrees API values of crude oils by use of saturates/aromatics/resins/ asphaltenes analysis: computational-intelligence-based models}, journal = {SPE Journal}, volume = {22}, year = {2017}, month = {JUN}, pages = {817-853}, type = {Article}, abstract = {The degrees API value is an important physicochemical characteristic of crude oils often used in determining their properties and quality. There exist models-predominantly linear ones-for predicting the degrees API magnitude from the molecular composition of a crude oil. This approach is tedious and time-consuming because it requires quantitative determination of numerous crude-oil components. Usually, the hydrocarbons present in a crude oil are grouped according to their molecular average structures into saturates, aromatics, resins, and asphaltenes (SARA) fractions. An degrees API-value prediction model dependent on these four fractions is relatively easier to develop, although this approach has been rarely used. A rigorous scrutiny suggests that some of the dependencies between the individual SARA fractions and the corresponding degrees API value could be nonlinear. Accordingly, in this study, SARA-fraction-based nonlinear models have been developed for the prediction of values using three computational-intelligence (CI) formalisms: genetic programming (GP), artificialneural networks (ANNs), and support-vector regression (SVR). The SARA analyses and degrees API values of 403 crude-oil samples covering wide ranges have been used in developing these models. A comparison of the CI-based models with an existing linear model indicates that all the former class of models possess a significantly better degrees API-value prediction and generalization performance than those exhibited by the linear model. Also, the SVR-based model has been found to be the most accurate degrees API-value predictor. Because of their better prediction accuracy, CI-based models can be gainfully used to predict degrees API values of crude oils.}, doi = {10.2118/184391-PA}, author = {Goel, Purva and Saurabh, Kumar and Patil-Shinde, Veena and Tambe, Sanjeev S.} } @article {43972, title = {Preparation of MgO supported platinum nanoparticle catalyst using toluene dispersed platinum sol}, journal = {Applied Surface Science}, volume = {418}, year = {2017}, month = {OCT}, pages = {874-91}, type = {Journal Article}, abstract = {

An effective way of anchoring Pt nanoparticles on MgO using toluene dispersed platinum nanoparticles (Pt-NPs) as one of the ingredient is demonstrated. The usage of particles dispersed in toluene allows the retention of size and size distribution of preformed Pt-NPs even after deposition on MgO support with high active surface area, which is crucial for heterogeneous catalysis. The catalyst thus prepared, displayed selective hydrogenation of cinnamaldehyde to cinnamyl alcohol with high turn on frequency (TOF - 105 h-1) with respect to the total Pt content. We attribute this efficient catalytic performance to the uniform distribution and deposition of Pt on the active MgO support and its better accessible surface as evidenced by the cyclic-voltammetry results.

}, keywords = {catalysis, Catalysts, cyclic voltammetry, Deposition, Magnesia, Nanoparticles, sol-gel process}, doi = {10.1016/j.apsusc.2016.12.058}, author = {Seth, J. and Nepak, D. and Chaudhari, V. R. and Prasad, B.L.V.} } @article {43520, title = {Probing cavity versus surface preference of fluorescent template molecules in molecularly imprinted polystyrene microspheres}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {55}, year = {2017}, month = {MAY}, pages = {1558-1565}, abstract = {Functional polystyrene (PS) crosslinked microbeads were developed by dispersion polymerization as fluorescent molecularly imprinted polymers (MIPs) having cavities with specific recognition sites. The functional azobenzene molecule modified with pyridine was self-assembled with Pyrenebutyric acid (template molecules), and introduced during the second stage of dispersion polymerization of polystyrene. The template molecule was removed from MIP by Soxhlet using acetonitrile as solvent. Non imprinted polymer (NIP) having no template was also synthesized for comparative study. Fluorescence spectroscopy could be used as a tool to derive insight into the location of the template molecules on the MIP or NIP. The template molecules were adsorbed on the surface of the NIPs during binding studies, which was evidenced from the pyrene excimeric emission observed at 440 nm. The template binding efficiency of the NIPs were much lower compared to MIPs. Pyrene emission from MIP upon rebinding showed typical monomeric emission in the 375-395 nm range, confirming its location in isolated cavities. In rebinding studies of the template molecules, the MIPs selectively took up the template for which the cavity was designed, which demonstrated their selectivity towards template molecules. (C) 2017 Wiley Periodicals, Inc.}, doi = {10.1002/pola.28523}, author = {Sonawane, Swapnil L. and Asha, S. K.} } @article {44122, title = { Processing and characterization of waste leather based polycaprolactone biocomposites}, journal = {Polymer Composites}, volume = {38}, year = {2017}, month = {DEC}, pages = {2889-2897}, type = {Article}, abstract = {Waste leather buff (WLB) filled polycaprolactone (PCL) composites were prepared by twin-screw extrusion varying the WLB content from 2\% to 40\%. These composites were extensively characterized by several techniques in order to establish micro and macroscopic properties. Addition of WLB resulted in improvement of tensile modulus of neat PCL and reduction in percentage crystallinity of PCL matrix was observed with increase in WLB content. Interfacial adhesion and dispersion of WLB on PCL matrix was investigated using Scanning Electron Microscope. Percentage of water uptake increased with increase in concentration of WLB in the composite. These biodegradable composites could be used to develop low cost materials suitable for applications in footwear industry, for making bags, suitcases, etc., eliminating the environmental issues arising from WLB generated from tanneries in leather industry. POLYM. COMPOS., 38:2889-2897, 2017. (c) 2015 Society of Plastics Engineers}, doi = {10.1002/pc.23891}, author = {Joseph, Seena and Ambone, Tushar S. and Salvekar, Abhijit V. and Jaisankar, S. N. and Saravanan, P. and Deenadayalan, E.} } @article {44124, title = { p-Selective (sp(2))-C-H functionalization for an acylation/alkylation reaction using organic photoredox catalysis}, journal = { Chemical Communications}, volume = {53}, year = {2017}, month = {NOV}, pages = {12337-12340}, type = {Article}, abstract = {p-Selective (sp(2))-C-H functionalization of electron rich arenes has been achieved for acylation and alkylation reactions, respectively, with acyl/alkylselenides by organic photoredox catalysis involving an interesting mechanistic pathway.}, doi = {10.1039/c7cc07529d}, author = {Pandey, Ganesh and Tiwari, Sandip Kumar and Singh, Bhawana and Vanka, Kumar and Jain, Shailja} } @article {43263, title = {Quinolidene based monocarbonyl curcumin analogues as promising antimycobacterial agents: synthesis and molecular docking study}, journal = {Bioorganic \& medicinal chemistry letters}, volume = {27}, year = {2017}, month = {FEB}, pages = { 922-928}, abstract = {

A series of quinoline incorporated monocarbonyl curcumin analogues was efficiently synthesized using [HDBU][HSO4] as catalyst via Knoevenagel type condensation and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis BCG in dormant state. The analogues 3e, 3h, 4a and 4e exhibited very good antitubercular activity. The antiproliferative activity of the analogues against MCF-7, A549 and HCT-116 cell lines was evaluated using modified MTT assay and these compounds were found to be non-cytotoxic. Molecular docking study has been carried out against M. tuberculosis pantothenate synthetase (MTB PS) enzyme in an effort to enhance the understanding of their action as antitubercular agents. The potency, low cytotoxicity and selectivity of these analogues support them as valid leads for further optimization.

}, doi = {10.1016/j.bmcl.2017.01.004}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Nawale, Laxman U. and Sarkar, Dhiman and Khedkar, Vijay M. and Shingate, Bapurao B.} } @article {42939, title = {Quinolidene-rhodanine conjugates: facile synthesis and biological evaluation}, journal = {European Journal of Medicinal Chemistry}, volume = {125}, year = {2017}, month = {JAN}, pages = {385{\textendash}399}, type = {Article}, abstract = {

A series of rhodanine incorporated quinoline derivatives were efficiently synthesized using reusable DBU acetate as ionic liquid and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB) (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743) both in active and dormant state. Compounds 3e, 3f, 3g, 3h and 3i exhibited very good antitubercular activity. The active compounds were studied for cytotoxicity against HUVEC, THP-1, macrophages, A549, PANC-1 and HeLa cell lines using modified MTT assay and were found to be noncytotoxic. Inactivity of all these compounds against Gram positive and Gram negative bacteria indicates their specificity towards the MTB. Further, the synthesized compounds have been screened for their in vitro antifungal activity. In addition, the molecular docking studies revealed the binding modes of these compounds in active site of Zmp1 enzyme, which in turn helped to establish a structural basis of inhibition of mycobacteria. The results of present study clearly indicate the identification of some novel, selective and specific inhibitors against MTB that can be explored further for potential antitubercular drug.

}, doi = {10.1016/j.ejmech.2016.09.059}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Shingate, Bapurao B. and Nawale, Laxman and Sarkar, Dhiman and Khedkar, Vijay M. and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N.} } @article {43775, title = {Rapid synthesis of highly monodispersed silver nanoparticles from the leaves of Salvadora persica}, journal = {Materials Letters}, volume = {205}, year = {2017}, month = {OCT}, pages = {226-229}, type = {Article}, abstract = {We have demonstrated a one pot green protocol for the synthesis of highly monodispersed silver nanoparticles using leaves of Salvadora persica plant. When the leaf extract of Salvadora persica plant reacted with silver nitrate (AgNO3) solution it resulted in the synthesis of highly monodispersed silver nanoparticles with an average size of 3 nm. These nanoparticles were then completely characterized by UV-Visible spectroscopy, Transmission Electron Microscopy, Energy Dispersive Analysis of X-Rays, X-ray diffraction analysis and Fourier Transform Infrared analysis. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.matlet.2017.06.089}, author = {Khan, Mamatha R. Shadab and Salunkhe, Pooja and Satpute, Shruti and Kendurkar, Shuchishweta and Prabhune, Asmita and Deval, Animesh and Chaudhari, Bhushan P.} } @article {43476, title = {Reactive distillation for the production of methoxy propyl acetate: experiments and simulation}, journal = {Industrial \& Engineering Chemistry Research}, volume = {56}, year = {2017}, month = {FEB}, pages = {832-843}, abstract = {Propylene glycol methyl ether acetate is an industrially important solvent. In this work, we study the applicability of reactive distillation (RD) for its synthesis in the presence of an ion-exchange resin, Amberlyst 15, as a catalyst. Simultaneous separation of water during the course of reaction shifts the reaction in the forward direction, which renders cost effectiveness and compactness to the process. The presence of an azeotrope between methoxy propanol and water complicates the separation, leading to a loss of reactants in the product streams, thereby hampering both conversion and purity. Toluene is thus used as an entrainer to further intensify the process. In this work, the intrinsic kinetic parameters are determined from batch reactor data, and used subsequently to simulate the column performance. An experimentally validated simulator is used to examine the effect of various operating and design parameters. Reactant and product losses are minimized to negligible levels and a significant increase in the conversion is realized.}, doi = {10.1021/acs.iecr.6b03489}, author = {Gadekar-Shinde, Shambala and Reddy, Bhoja and Khan, Mohammad and Chavan, Sanjay and Saini, Dauiat and Mahajani, Sanjay} } @inbook {44023, title = {Recent innovations in coronary stents}, booktitle = {Emerging Applications, Perspectives, and Discoveries in Cardiovascular Research}, year = {2017}, pages = {12}, abstract = {In heart diseases, there are frequent incidents of narrowing or blocking coronary arteries by fatty plaque deposition. As a result, blood pressure rises and the arteries weaken. This can lead to rapid rupture of the blood vessels, also known as heart attack or brain stroke. In some cases the arteries lose elasticity over old age. Heart stent or coronary stent inserts in the blocked/fragile region of coronary artery. It helps to expand the artery to allow free flow of blood and consequently, reduces blood pressure. Over past 20 years there are many modifications and innovations in the field of cardiac stents, in this chapter we will discuss few of those. }, doi = {10.4018/978-1-5225-2092-4.ch013}, author = {Sengupta, Poulomi} } @article {43795, title = {Redox-mediated 3D graphene based nanoscoop design for ultracapacitor applications}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {AUG}, pages = {8390-8398}, type = {Article}, abstract = {Contemporary energy storage devices significantly rely on the rational design of micro and nanostructural features of electrode materials for efficient ion transport. A judicious concept of utilizing the extended charge mobility on the third dimension along with an active redox couple to significantly maximize the capacitance has been demonstrated via (a) the fabrication of a 3D network from 2D graphene and (b) the introduction of an active redox species. Compared with traditional graphene systems, an unprecedented 8-fold gain of capacitance that was sustained with minimal loss even beyond 5000 cycles is achieved and is reported for the first time. This was due to the complementary advantage of both the electric double layer capacitance of the 3D graphene electrode and the redoxmediated pseudocapacitance of K3Fe(CN)(6) in alkaline electrolytes. Colloidal polystyrene spheres with a tunable size range were used as sacrificial templates for generating the 3D network. This design outperforms others, is an excellent candidate as an ultracapacitor and is envisaged to lead to new opportunities in several electrochemical applications.}, doi = {10.1039/c7nj01461a}, author = {Rani, Pallavi and Jhajharia, Suman Kumari and Selvaraj, Kaliaperumal} } @article {43668, title = {Reductive activation of O-2 by a bioinspired Fe complex for catalytic epoxidation reactions}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {MAY}, pages = {5914-5917}, type = {Article}, abstract = {Aerobic epoxidation of olefins catalyzed by iron complexes without the use of a sacrificial coreductant is unknown. We report the reductive activation of O-2 by a bioinspired [(bTAML)Fe-III(H2O)](-) (1) complex to catalyze the epoxidation of alkenes with TONs of up to 80. Spectroscopic and kinetic evidence indicates the involvement of FeV(O) as the active oxidant during the reaction.}, doi = {10.1039/c7cc00933j}, author = {Singh, Kundan K. and Sen Gupta, Sayam} } @article {43998, title = {Removal of endrin and dieldrin isomeric pesticides through stereoselective adsorption behavior on the graphene oxide-magnetic nanoparticles}, journal = {Environmental Science and Pollution Research}, year = {2017}, month = {SEP}, pages = {1-9}, type = {Article in Press}, abstract = {

A novel stereoselective removal behavior of isomeric endrin and dieldrin pesticides from sample solution is demonstrated using nanocomposite of graphene oxide (GO) and iron oxide (Fe3O4) magnetic nanoparticles (MNPs). The removal efficiency of endrin and dieldrin was found higher when GO-MNPs was used as a separating probe than the individual use of GO and MNPs. The removal efficiency of both the pesticides was found to be more favorable when the dosage amount of GO-MNPs was 30 mg for 30-min contact time with pH 4.0 at room temperature. The good correlation of determination (R2) with 0.975 and 0.973 values obtained for endrin and dieldrin, respectively demonstrated a well fitting of Langmuir adsorption isotherm model. The higher removal percentage (86.0\%) and higher slope value of Langmuir adsorption isotherm were estimated for endrin compared to dieldrin (74.0\%). The reason for higher adsorption percentage of endrin is due to the endo-position of oxygen atom in molecule favors more interaction of molecules with GO-MNPs compared to the exo-position of oxygen present in dieldrin. In addition, the higher value of R2 for endrin and dieldrin demonstrated better suitability of pseudo-first-order and pseudo-second-order kinetic models, respectively. The advantages of the present method are use of simple UV-vis spectrophotometry for monitoring and low-cost use of GO-MNPs nanomaterial for the removal of pesticides from sample solution. {\textcopyright} 2017 Springer-Verlag GmbH Germany

}, keywords = {Dieldrin, Endrin, Isomeric Pesticides, Removal}, doi = { 10.1007/s11356-017-0159-z}, author = {Shrivas, K. and Ghosale, A. and Nirmalkar, N. and Srivastava, A and Singh, S. K. and Shinde, S. S.} } @article {44011, title = {Repurposing Ivacaftor for treatment of staphylococcus aureus infections}, journal = {International Journal of Antimicrobial Agents}, volume = {50}, year = {2017}, month = {SEP}, pages = {389-392}, type = {Journal Article}, abstract = {

Drug repurposing of non-antimicrobials is a novel method to augment a seriously depleted drug pipeline for targeting drug{\textendash}resistant pathogens. This article highlights the potent antimicrobial activity of Ivacaftor against Staphylococcus aureus, including vancomycin{\textendash} and other multidrug{\textendash}resistant strains. The potent activity of Ivacaftor in vivo is also demonstrated in a murine neutropenic thigh infection model. Taken together, these results support the potential of Ivacaftor as an antimicrobial agent for the treatment of staphylococcal infections. {\textcopyright} 2017 Elsevier B.V. and International Society of Chemotherapy

}, doi = {10.1016/j.ijantimicag.2017.03.020}, author = {Thakare, R. and Das, S. and Vasudevan, N. and Jachak, G.R. and Reddy, D.S. and Dasgupta, A. and Chopra, S.}, editor = {Singh, A. K.} } @conference {43743, title = {Resistin mediates sex-dependent effects of perivascular adipose tissue on vascular function in the shrsp}, booktitle = {20th Annual Meeting of the Scottish-Cardiovascular-Forum}, volume = {103}, year = {2017}, month = {APR}, pages = { A3-A3}, type = {Meeting Abstract }, doi = {10.1136/heartjnl-2017-311433.6}, author = {McNeilly, Sarah and Small, Heather Y. and Mary, Sheon and Sheikh, Adam and Delles, Christian} } @article {43789, title = {Revealing the mystery of metabolic adaptations using a genome scale model of Leishmania infantum}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {AUG}, type = {Article}, abstract = {Human macrophage phagolysosome and sandfly midgut provide antagonistic ecological niches for Leishmania parasites to survive and proliferate. Parasites optimize their metabolism to utilize the available inadequate resources by adapting to those environments. Lately, a number of metabolomics studies have revived the interest to understand metabolic strategies utilized by the Leishmania parasite for optimal survival within its hosts. For the first time, we propose a reconstructed genome-scale metabolic model for Leishmania infantum JPCM5, the analyses of which not only captures observations reported by metabolomics studies in other Leishmania species but also divulges novel features of the L. infantum metabolome. Our results indicate that Leishmania metabolism is organized in such a way that the parasite can select appropriate alternatives to compensate for limited external substrates. A dynamic non-essential amino acid motif exists within the network that promotes a restricted redistribution of resources to yield required essential metabolites. Further, subcellular compartments regulate this metabolic re-routing by reinforcing the physiological coupling of specific reactions. This unique metabolic organization is robust against accidental errors and provides a wide array of choices for the parasite to achieve optimal survival.}, doi = {10.1038/s41598-017-10743-x}, author = {Subramanian, Abhishek and Sarkar, Ram Rup} } @article {43725, title = {Rigid peptide scaffold-incorporated structural analogs of the potent antidepressant peptide drug rapastinel (GLYX-13)}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {APR}, pages = {3594-3596}, type = {Article}, abstract = {

Rapastinel (GLYX-13) is a natural amidated tetrapeptide (Thr-Pro-Pro-Thr-NH2)endowed with strong antidepressant property. Rapastinel shows considerable promise for treating drug-resistant major depressive disorder (MDD), and is under clinical phase III development. Herein, we report the synthesis of a novel class of analogues of the potent antidepressant peptide drug rapastinel featuring rigid dipeptide scaffolds comprising proline (L/D) and amino thiophene carboxylates (Atc). Amino thiophene carboxylate is a conformationally constrained aromatic beta-amino acid, known to rigidify peptide backbones thereby limiting the conformational flexibility of peptides and improving proteolytic stability.

}, doi = {10.1002/slct.201700605}, author = {Nadimpally, Krishna Chaitanya and Chakrapani, Aswathi and Prabhu, Priyanka J. and Madica, Krishnaprasad and Sanjayan, Gangadhar J.} } @article {45685, title = {Role of spatial inhomogenity in GPCR dimerisation predicted by receptor association-diffusion models}, journal = {Physical Biology}, volume = {14 }, year = {2017}, month = {JUN}, pages = {036002}, type = {Article}, abstract = {G protein-coupled receptor (GPCR) association is an emerging paradigm with far reaching implications in the regulation of signalling pathways and therapeutic interventions. Recent super resolution microscopy studies have revealed that receptor dimer steady state exhibits sub-second dynamics. In particular the GPCRs, muscarinic acetylcholine receptor M-1 (M1MR) and formyl peptide receptor (FPR), have been demonstrated to exhibit a fast association/dissociation kinetics, independent of ligand binding. In this work, we have developed a spatial kinetic Monte Carlo model to investigate receptor homo-dimerisation at a single receptor resolution. Experimentally measured association/dissociation kinetic parameters and diffusion coefficients were used as inputs to the model. To test the effect of membrane spatial heterogeneity on the simulated steady state, simulations were compared to experimental statistics of dimerisation. In the simplest case the receptors are assumed to be diffusing in a spatially homogeneous environment, while spatial heterogeneity is modelled to result from crowding, membrane micro-domains and cytoskeletal compartmentalisation or {\textquoteright}corrals{\textquoteright}. We show that a simple association-diffusion model is sufficient to reproduce M1MR association statistics, but fails to reproduce FPR statistics despite comparable kinetic constants. A parameter sensitivity analysis is required to reproduce the association statistics of FPR. The model reveals the complex interplay between cytoskeletal components and their influence on receptor association kinetics within the features of the membrane landscape. These results constitute an important step towards understanding the factors modulating GPCR organisation.}, doi = {10.1088/1478-3975/aa6b68}, author = {Deshpande, Sneha A. and Pawar, Aiswarya B. and Dighe, Anish and Athale, Chaitanya A. and Sengupta, Durba} } @article {43787, title = {Room-temperature direct arylation of anilides under external oxidant-free conditions using CO2-Derived Dimethyl Carbonate (DMC) as a {\textquoteright}green{\textquoteright} solvent}, journal = {Chemistryselect}, volume = {2}, year = {2017}, month = {AUG}, pages = {7565-7569}, type = {Article}, abstract = {

Here, an efficient catalytic protocol for direct C-H bond arylation of anilides under base- and external oxidant-free conditions is reported. This reaction proceeds readily at room temperature using CO2-derived dimethyl carbonate (DMC) as a green solvent under visible-light dual catalysis. Later, application of our strategy for the gram-scale synthesis of Boscalid has been successfully shown. An unprecedented unsymmetrical bis-arylation of anilides is also demonstrated under mild, redox-neutral conditions.

}, doi = {10.1002/slct.201701108}, author = {Sahoo, Manoj K. and Rana, Jagannath and Subaramanian, Murugan and Balaraman, Ekambaram} } @article {45690, title = {Route to benzimidazol-2-ones via decarbonylative ring contraction of quinoxalinediones: application to the synthesis of flibanserin, A drug for treating hypoactive sexual desire disorder in women and marine natural product hunanamycin analogue}, journal = {ACS Omega}, volume = { 2 }, year = {2017}, month = {AUG}, pages = {5137-5141}, type = {Article}, abstract = {

A simple and practical method to access a variety of benzimidazol-2-ones is reported here. A series of N-alkylsubstituted benzimidazol-2-ones were synthesized by decarbonylative ring contraction starting from corresponding quinoxalinediones for the first time. The utility of the method has been demonstrated by synthesizing recently approved controversial drug flibanserin (Addyi) and a urea analogue of marine antibiotic natural product hunanamycin-A.

}, doi = {10.1021/acsomega.7b00819}, author = {Shingare, Rahul D. and Kulkarni, Akshay S. and Sutar, Revannath L. and Reddy, D. Srinivasa} } @article {43919, title = {Salts and cocrystals of furosemide with pyridines: differences in π-Stacking and color polymorphism}, journal = {Crystal Growth \& Design}, volume = {17}, year = {2017}, month = {JUN}, pages = {3071{\textendash}3087}, type = {Article}, abstract = {

Furosemide (FS), a loop diuretic drug that has a potential to exhibit polymorphism, produced color polymorphs of orange (form 1I) and yellow (form 1II) concomitantly with coformer 1, 2-bis(4-pyridyl)ethylene. However, cocrystallization of FS with other pyridines yielded colorless salts (2 and 4) and cocrystals (3 and 5). The significant color difference between the two polymorphs (forms 1I and 1II) could be attributed to the dissimilar π-stacking patterns between the two components and differences in their highest occupied molecular orbital-lowest unoccupied molecular orbital gap. The molecular packing of form 1I and 2 is very similar, but 2 is colorless due to lack of extended π-conjugation.

}, doi = {10.1021/acs.cgd.6b01868}, author = {Sangtani, Ekta and Mandal, Suman Kumar and Sreelakshmi, A. S. and Munshi, Parthapratim and Gonnade, Rajesh G.} } @article {43726, title = {Secondary interactions arrest the hemiaminal intermediate to invert the modus operandi of schiff base reaction: a route to benzoxazinones}, journal = {Journal of Organic Chemistry}, volume = {82}, year = {2017}, month = {APR}, pages = {4342-4351}, type = {Article}, abstract = {Discovered by Hugo Schiff, condensation between amine and aldehyde represents one of the most ubiquitous reactions in chemistry. This classical reaction is widely used to manufacture pharmaceuticals and fine chemicals. However, the rapid and reversible formation of Schiff base prohibits formation of alternative products, of which benzoxazinones are an important class. Therefore, manipulating the reactivity of two partners to invert the course of this reaction is an elusive target. Presented here is a synthetic strategy that regulates the sequence of Schiff base reaction via weak secondary interactions. Guided by the computational models, reaction between 2,3,4,5,6-pentafluoro-benzaldehyde with 2-amino-6methylbenzoic acid revealed quantitative (99\%) formation of 5-methyl-2-(perfluoropheny01,2-dihydro-4H-benzo[d][1,3]oxazin-4-one (15). Electron donating and electron withdrawing ortho-substituents on 2-aminobenzoic acid resulted in the production of benzoxazinones 936. The mode of action was tracked using low temperature NMR, IN vis spectroscopy, and isotopic (O-18) labeling experiments. These spectroscopic mechanistic investigations revealed that the hemiaminal intermediate is arrested by the hydrogen-bonding motif to yield benzoxazinone. Thus, the mechanistic investigations and DFT calculations categorically rule out the possibility of in situ imine formation followed by ring-closing, but support instead hydrogen-bond assisted ring-closing to prodrugs. This unprecedented reaction represents an interesting and competitive alternative to metal catalyzed and classical methods of preparing benzoxazinone.}, doi = {10.1021/acs.joc.7b00352}, author = {Patel, Ketan and Deshmukh, Satej S. and Bodkhe, Dnyaneshwar and Mane, Manoj and Vanka, Kumar and Shinde, Dinesh and Rajamohanan, Pattuparambil R. and Nandi, Shyamapada and Vaidhyanathan, Ramanathan and Chikkali, Samir H.} } @article {43966, title = {Selective and reusable Pt-WO x /Al 2 O 3 catalyst for deoxygenation of fatty acids and their esters to diesel-range hydrocarbons}, journal = {Catalysis Today}, volume = {309}, year = {2017}, month = {JUN}, pages = {219-226}, type = {Article}, abstract = {Tungsten oxide promoted platinum catalysts (Pt-WOx/Al2O3) of varying composition were prepared by wet impregnation method and reduced in hydrogen atmosphere. X-ray powder diffraction and photoelectron spectroscopy revealed that Pt is completely reduced to metallic state while tungsten is in +6 and +5 oxidation state. Pt crystallite and particle sizes increased (from 1.2 to 1.4 nm and 2.5 to 3 nm, respectively) in presence of WOx (CO-chemisorption and transmission electron microscopy). Tungsten addition augmented strong acid sites. It enhanced significantly the catalytic activity of Pt/Al2O3 in deoxygenation of fatty acids and their methyl esters. Tungsten altered the reaction pathway from decarbonylation/decarboxylation to hydrodeoxygenation. A catalyst with 4 wt\% Pt and 8 wt\% W exhibited high catalytic performance. Complete conversion of oleic acid and octadecane product selectivity in the range 67.1 - 80.8\% was obtained. Pt-WOx/Al2O3 is a stable and reusable fatty acid deoxygenation catalyst.}, keywords = {biofuels, Deoxygenation, Diesel-range hydrocarbons, Fatty acids, Pt catalyst}, issn = {0920-5861}, doi = {10.1016/j.cattod.2017.06.030}, author = {Janampelli, Sagar and Srinivas, Darbha} } @article {43997, title = {Selective C-H bond oxidation catalyzed by the Fe-bTAML complex: mechanistic implications}, journal = {Inorganic Chemistry}, volume = {56}, year = {2017}, month = {SEP}, pages = {10852-10860}, type = {Journal Article}, abstract = {Nonheme iron complexes bearing tetradentate N-atom-donor ligands with cis labile sites show great promise for chemoselective aliphatic C-H hydroxylation. However, several challenges still limit their widespread application. We report a mechanism-guided development of a peroxidase mimicking iron complex based on the bTAML macrocyclic ligand framework (Fe-bTAML: biuret-modified tetraamido macrocyclic ligand) as a catalyst to perform selective oxidation of unactivated 3{\textdegree} bonds with unprecedented regioselectivity (3{\textdegree}:2{\textdegree} of 110:1 for adamantane oxidation), high stereoretention (99\%), and turnover numbers (TONs) up to 300 using mCPBA as the oxidant. Ligand decomposition pathways involving acid-induced demetalation were identified, and this led to the development of more robust and efficient Fe-bTAML complexes that catalyzed chemoselective C-H oxidation. Mechanistic studies, which include correlation of the product formed with the FeV(O) reactive intermediates generated during the reaction, indicate that the major pathway involves the cleavage of C-H bonds by FeV(O). When these oxidations were performed in the presence of air, the yield of the oxidized product doubled, but the stereoretention remained unchanged. On the basis of 18O labeling and other mechanistic studies, we propose a mechanism that involves the dual activation of mCPBA and O2 by Fe-bTAML, leading to formation of the FeV(O) intermediate. This high-valent iron oxo remains the active intermediate for most of the reaction, resulting in high regio- and stereoselectivity during product formation. }, doi = {10.1021/acs.inorgchem.7b00453}, author = {Ghosh, M.}, editor = {Pattanayak, S.} } @article {44144, title = {Selective isolation and eradication of E. coli associated with urinary tract infections using anti-fimbrial modified magnetic reduced graphene oxide nanoheaters}, journal = {Journal of Materials Chemistry B}, volume = {5}, year = {2017}, month = {OCT}, pages = { 8133-8142}, type = {Article}, abstract = {The fast and efficient elimination of pathogenic bacteria from water, food or biological samples such as blood remains a challenging task. Magnetic isolation of bacteria from complex media holds particular promise for water disinfection and other biotechnological applications employing bacteria. When it comes to infectious diseases such as urinary tract infections, the selective removal of the pathogenic species in complex media such as human serum is also of importance. This issue can only be accomplished by adding pathogen specific targeting sites onto the magnetic nanostructures. In this work, we investigate the potential of 2-nitrodopamine modified magnetic particles anchored on reduced graphene oxide (rGO) nanocomposites for rapid capture and efficient elimination of E. coli associated with urinary tract infections (UTIs) from water and serum samples. An optimized magnetic nanocarrier achieves a 99.9\% capture efficiency even at E. coli concentrations of 1 x 10(1) cfu mL(-1) in 30 min. In addition, functionalization of the nanostructures with poly(ethylene glycol) modified pyrene units and anti-fimbrial E. coli antibodies allowed specific elimination of E. coli UTI89 from serum samples. Irradiation of the E. coli loaded nanocomposite with a near-infrared laser results in the total ablation of the captured pathogens. This method can be flexibly modified for any other pathogenic bacteria, depending on the antibodies used, and might be an interesting alternative material for a magnetic-based body fluid purification approach.}, doi = {10.1039/c7tb01890h}, author = {Halouane, Fatima and Jijie, Roxana and Meziane, Dalila and Li, Chengnan and Singh, Santosh K. and Bouckaert, Julie and Jurazek, Jean and Kurungot, Sreekumar and Barras, Alexandre and Li, Musen and Boukherroub, Rabah and Szunerits, Sabine} } @article {45741, title = {Selective self-etherification of 5-(hydroxymethyl) furfural over Sn-Mont catalyst}, journal = {Catalysis Communications}, volume = {88}, year = {2017}, month = {JAN}, pages = {77-80}, type = {Article}, abstract = {Sn-Mont was found to be a highly efficient catalyst for self-etherification of 5-(hydroxymethyl)furfural (HMF) to give 5,5{\textquoteright}-oxy(bis-methylene)-2-furaldehyde (OBMF). L-B acidity of Sn(OH)(4) species enwrapped into the layers of montmorillonite was responsible for the excellent activity of Sn-Mont catalyst giving almost complete conversion of HMF with 98\% selectivity to OBMF. Aprotic non-polar, dichloroethane was most effective solvent due to the facile formation of oxonium ion mediating etherification reaction. The catalyst showed suitable recyclability confirming its appreciable hydrolytic stability in water, and retention of its acidity. }, doi = { 10.1016/j.catcom.2016.09.034}, author = {Shinde, S and Rode, C} } @article {45762, title = {Selective synthesis of WO3 and W18O49 nanostructures: ligand-free pH-dependent morphology-controlled self-assembly of hierarchical architectures from 1D nanostructure and sunlight-driven photocatalytic degradation}, journal = {CrystEngComm}, volume = {19}, year = {2017}, month = {APR }, pages = {2096-2105}, type = {Article}, abstract = {

In this study, simple inorganic routes for the synthesis of WO3 and W18O49 nanostructures with variable size and self-assembly are reported. The morphologies and formation of stoichiometric WO3 as well as substoichiometric W18O49 single-crystal phase could be controlled by changing the pH of the reactions medium. This synthesis strategy has the advantages that it is one step, aqueous medium-based, and requires no surfactant or stabilizing agent. Furthermore, it also enables the self-assembly of 1D nanorods of WO3 and W18O49 into hierarchical nanostructures as nanorods bundles, cocoons, urchins, fishbones, etc. This synthesis method may open up a new way to control and tune the stoichiometric and substoichiometric composition of metal oxide nanostructures. Efficient sunlight-driven photocatalytic performance to degrade Rhodamine B (100 mL; 40 mg L-1.) with these tungsten oxide nanostructures was also demonstrated.

}, issn = {1466-8033}, doi = {10.1039/c6ce02518h}, author = {Shirke, Yogita Manikrao and Mukherjee, Shatabdi Porel} } @article {44128, title = {Self-assembled spheres, flowers, and fibers from the same backbone and similar side chains}, journal = {Langmuir}, volume = {33}, year = {2017}, month = {NOV}, pages = {13401-13406}, type = {Article}, abstract = {Rylene imides (Ms) self-assemble into various nanostructures. Often, the synthesis of unsymmetrical RIs (URIs) is required to achieve nanostructures. However, the synthesis of URIs is nontrivial. Thus, a structurally similar alternative is desirable. iso-Indigo (i-indigo) has a pi core and lactam rings that are structurally similar to the RIs. Unsymmetrical iso-indigo (i-indigo) can be easily synthesized by condensing oxindole and isatin. We have synthesized a series of unsymmetrical i-indigo molecules. In these molecules, the pi-pi interaction, hydrogen bonding, and van der Waals interactions are in operation. Because of these, the molecules self-assemble into spheres, fibers, and dahlia flower morphologies. If the hydrogen bonding interaction is disrupted, then all of them form fibers. Control experiments indicate that the complete absence of hydrogen bonding is deleterious to self-assembly. We also show that the lower analogs of i-indigo are not sufficient to form self-assembled nanostructures.}, doi = {10.1021/acs.langmuir.7b02728}, author = {Singh, Anup Kumar and Krishnamoorthy, Kothandam} } @article {44406, title = {Self-assembly of fluorinated sugar amino acid derived alpha,gamma-cyclic peptides into transmembrane anion transport}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {NOV}, pages = {5948-5951}, abstract = {Syntheses of fluorinated sugar amino acid derived alpha,gamma-cyclic tetra- and hexapeptides are reported. The IR, NMR, ESI-MS, CD, and molecular modeling studies of cyclic tetra- and hexapeptides showed C-2 and C-3 symmetric flat oval- and triangular-ring shaped, beta-strand conformations, respectively, which appear to self assemble into nanotubes. The alpha,gamma-cyclic hexapeptide (EC50 = 2.14 mu M) is found to be a more efficient ion transporter than alpha,gamma-cyclic tetrapeptide (EC50 = 14.75 mu M). The anion selectivity and recognition of alpha,gamma-cyclic hexapeptide with NO3- ion is investigated.}, doi = {10.1021/acs.orglett.7b02942}, author = {Burade, Sachin S. and Saha, Tanmoy and Bhuma, Naresh and Kumbhar, Navanath and Kotmale, Amol and Rajamohanan, Pattuparambil R. and Gonnade, Rajesh G. and Talukdar, Pinaki and Dhavale, Dilip D.} } @article {44143, title = { Self-assembly of P-chiral supramolecular phosphines on rhodium and direct evidence for Rh-catalyst-substrate interactions}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {OCT}, pages = {13966-13973}, type = {Article}, abstract = {Supramolecular phosphine-derived catalysts are known to provide high enantioselectivity in asymmetric transformations such as hydrogenation, but direct evidence unravelling the role of secondary interactions is largely missing. As a representative case study, the role of hydrogen bonding in asymmetric hydrogenation catalysed by p-chiral supramolecular phosphines is investigated. To establish the nature of hydrogen bonding in the self-assembled Rh-complex, NMR experiments were performed at different concentrations and temperatures. It was found that with increasing concentration of 1-(3-(phenyl(o-tolyl)phosphanyl) phenyl) urea ligand (L1), the NH and NH2 peaks shift downfield. This indicated the presence of intermolecular hydrogen bonding in L1. This observation was further supported by variable temperature NMR experiments wherein, with decreasing temperature, the NH and NH2 resonances of L1 shifted downfield. The downfield shift once again suggests the existence of intermolecular hydrogen bonding in L1. In contrast, the chemical shift of NH and NH2 signals did not significantly change with increasing concentration of the self-assembled Rh-complex (C1). This observation suggested the existence of intramolecular hydrogen bonding in the self-assembled complex. The concentration experiment was further corroborated by variable temperature NMR experiments. No change in the chemical shift of NH2 resonance could be detected with decreasing temperature, which corroborates the existence of intramolecular hydrogen bonding in C1. In a stoichiometric experiment, C1 was treated with hydrogenation substrate N-acetyldehydrophenylalanine (S2) and the proton NMR was recorded. The NH2 protons of the selfassembled Rh-complex were found to shift downfield, as compared to untreated parent C1. These observations indicated that there is a hydrogen bonding interaction between the Rh-complex and the substrate. To further attest this hypothesis, NH and NH2 groups were exchanged with ND and ND2 groups, respectively, and a self-assembled Rh-complex was prepared using the deuterated supramolecular phosphine ligand L1.D. When the deuterated Rh-complex (C1.D) was treated with substrate S2, the ND and ND2 resonances were found to shift downfield. Thus, the labelling experiment further authenticated the existence of catalyst-substrate interactions. The presence of this catalyst-substrate interaction could be one of the parameters that leads to high enantiomeric excess in the asymmetric hydrogenation reaction of S2.}, doi = {10.1039/c7dt02923c}, author = {Koshti, Vijay S. and Sen, Anirban and Shinde, Dinesh and Chikkali, Samir H.} } @article {43784, title = {Significance of optimal N-doping in mesoporous carbon framework to achieve high specific capacitance}, journal = {Applied Surface Science}, volume = {418}, year = {2017}, month = {OCT}, pages = {40-48}, type = {Article}, abstract = {Nitrogen-doped mesoporous carbon (NMC) has been synthesized by sol-gel process using a mixture of phenol and formaldehyde as source of carbon, and melamine as source of nitrogen. The Ludox-AS40 (40 wt\% SiO2) is employed, for the first time, as hard template to obtain polymeric gel by prolonged heat treatment at 80 degrees C. The wt\% of nitrogen is tuned by varying the weight ratio of melamine to phenol. Stable mesoporous carbon frameworks are obtained by pyrolysis of the dry gel at 800 degrees C in nitrogen atmosphere and treated with alkali to remove silica. One of the carbon framework samples has 11 wt\% nitrogen doping and shows pore volume of 0.5 cm(3) g(-1) and surface area 609 m(2) g(-1). The other carbon frame work sample has 6 wt\% nitrogen doping and shows higher pore volume of 1.1 cm(3) g(-1) and surface area 736 m(2) g(-1). The later sample exhibits highest electrochemical capacitance of 196 F g(-1) at 0.5 A g(-1) while the former shows only 146 F g(-1) at 0.5 A g(-1). However, both the NMC electrodes show good cyclic performance (91\% of the initial capacitance after 1000 cycles) in an aqueous KOH electrolyte. This study demonstrates that there is an optimum level of nitrogen doping required to keep the meso-structure of carbon network intact, simultaneously maintaining high surface area and sufficient electrical conductivity for electrochemical applications. (C) 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apsusc.2016.11.181}, author = {Sahoo, Malaya K. and Gogoi, Pranjal and Rajeshkhanna, G. and Chilukuri, Satyanarayana V. and Rao, G. Ranga} } @article {45723, title = {Single cell fabrication towards the realistic evaluation of a CNT-strung ZIF-derived electrocatalyst as a cathode material in alkaline fuel cells and metal-air batteries}, journal = {ChemElectroChem}, volume = {4}, year = {2017}, month = {NOV}, pages = {2928-2933}, type = {Article}, abstract = {

The development of an electrocatalyst possessing all the vital requisites of an ideal electrode material, such as high porosity, high conductivity, and high intrinsic electrochemical activity, holds a decisive key in determining the activity of the triplephase boundary in many energy devices like fuel cells and metal-air battery systems. In the present work, highly porous cobalt-based ZIFs are strung along the highly conducive CNT backbone by using a simple one-pot technique at room temperature, which is then utilized to derive a porous, corrosion-resistant, Co nanoparticle-embedded electrocatalyst. Herein, for the first time, the single cell performance of the Co-ZIF-67-derived electrocatalyst has been evaluated by fabricating membrane electrode assemblies of alkaline exchange membrane fuel cell (AEMFC) and zinc-air battery (ZAB) systems. A maximum power density of 296 mW/cm(2) (vs. 317 mW/cm(2) for 40 wt.\% Pt/C) and 60 mW/cm(2) (vs. 64 mW/cm(2) for 40 wt.\% Pt/C) in the single cells of ZAB and AEMFC systems, respectively, establishes the practical proficiency of the homemade electrocatalyst for cathode applications during realistic system-level validations.

}, keywords = {Batteries, Carbon nanotubes, Composite materials, fuel cells, metal-organic frameworks}, issn = {2196-0216}, doi = {10.1002/celc.201700562}, author = {Aiyappa, Harshitha Barike and Bhange, Siddheshwar N. and Sivasankaran, Vijitha P. and Kurungot, Sreekumar} } @article {43863, title = {Size reduction of bulk alumina for mass production of fluorescent nanoalumina by fungus humicola sp.}, journal = {Journal of Cluster Science}, volume = {28}, year = {2017}, month = {JUL}, pages = {1981-1993}, type = {Article}, abstract = {In recent years, nanomaterials have made their way into hundreds of biomedical, life-sciences and technological applications. One such nanomaterial of extreme importance is nanoalumina (Al2O3 nanoparticles). This nanomaterial is an epitome of diversity with applications exhibited in the fields of catalysis, cosmetics, theranostics, energy generation, biosensors, drug-delivery, tumor-regression, etc. However, problems persist in terms of biocompatibility, cost-effectiveness, reproducibility and mass-production of nanoalumina by the presently existent physical, chemical and biological methodologies. Herein, we for the first time are presenting a top-down biofabrication method by which size reduction of commercial bulk alumina/aluminum oxide (5 A mu m) into nanoalumina (5-25 nm) is carried out by a thermophilic fungus Humicola sp. within 96 h of reaction at just 50 A degrees C. The so-formed nanoalumina is highly stable, water dispersible, fluorescent and natural protein capped; characterization engaged standard techniques. These nanoparticles exhibit anti-bacterial properties against Gram-positive Bacillus subtilis strain and may serve as broad spectrum bactericidal agents. We believe that our novel top-down approach may be extensively used in the facile, inexpensive, eco-friendly and reliable fabrication of abundant quantities of nanomaterials of different chemical compositions, sizes and shapes with better control and predictability over the properties as derived from their substrates. The mechanistic aspect of said protocol is underway.}, doi = {10.1007/s10876-017-1195-z}, author = {Moeez, Sana and Siddiqui, Ejaz Ahmad and Khan, Shadab and Ahmad, Absar} } @conference {45710, title = {Solubility limits of ceria-zirconia-lanthana solid-solutions}, booktitle = {International Conference on Recent Trends in Engineering and Material Sciences (ICEMS)}, year = {2017}, month = {MAR}, publisher = {Elsevier Science BV, PO BOX 211, 1000 AE Amsterdam, Netherlands}, organization = {Elsevier Science BV, PO BOX 211, 1000 AE Amsterdam, Netherlands}, address = {Jaipur, India}, abstract = {

We demonstrate, the solubility limits of Ceria-Zirconia-Lanthana (CZLa) solid-solutions with the increase in heat-treatment temperature from 600 degrees C to 1300 degrees C. CZLa nano-crystalline samples were successfully synthesized by EDTA-Citrate complex method and were characterized by Raman Spectroscopy (RS) and Transmission Electron Microscopy (TEM) analysis. With an increase in temperature, it is noticed that the solubility limit is decreased in CZLa system. At 600 degrees C, a very good solubility is observed in CZLa system and is confirmed from RS analysis. At higher heat-treatment temperatures (1000 and 1300 degrees C), with an increase in La content, Zr precipitated in the CZLa system and is confirmed from RS analysis. The reason for such kind of behavior in this CZLa system is clearly explained in this work. (C) 2017 Elsevier Ltd. All rights reserved.

}, keywords = {Ceria-Zirconia Lanthana, EDTA-Citrate method, Raman spectroscopy, solubility limit, XRD}, author = {Abbas, Zenab and Surendran, Mythili and Anjana, P. A. and Jidev, P. K. and Dasari, Harshini and Naidu, Sudhakar N. and Anandhan, S. and Bhat, Udaya K. and Babu, Uday Bhaskar G. and Dasari, Hari Prasad} } @article {43895, title = {Solution processed cellulose/melanin films and fibres}, journal = {Green Materials }, volume = {5}, year = {2017}, month = {JUN}, type = {Article}, abstract = {Melanins constitute a class of biomacromolecules that are abundant in nature. Although they exhibit a unique range of physical and chemical properties, their intractable nature has precluded their dissolution in common solvents and facile processing into functional materials. The authors found that commercially available 40 wt\% tetrabutylammonium hydroxide (Tbah) solution could yield stable solutions of synthetic and natural melanins at ambient conditions and the dissolution rate could be accelerated by microwave radiation. Transmission electron microscopy images clearly show the disruption of the aggregated structure of melanins in Tbah. Scanning electron microscopy images of melanin/Tbah solutions precipitated in acetone revealed that melanins are dissolved and regenerated and not merely dispersed. To the best of the authors{\textquoteright} knowledge, this is the first report demonstrating a facile approach to solution processing melanins with other biopolymers, which allows leverage of many unique properties of melanins. As an illustrative example, the authors demonstrate here the successful fabrication of cellulose/melanin composite films and fibers and their significant dye absorption capacity (62\% reduction) with methylene blue.}, doi = {10.1680/jgrma.17.00003}, author = {Farsa, Ram and Pimpalkar, Nikhil and Shete, Abhijit P. and Shanmuganathan, Kadhiravan} } @article {43892, title = {Sorption of metaldehyde using granular activated carbon}, journal = {Journal of Water Reuse and Desalination}, volume = {7}, year = {2017}, month = {SEP}, chapter = {280-287}, abstract = {

In this work, the ability of granular activated carbon (GAC) to sorb metaldehyde was evaluated. The kinetic data could be described by an intra-particle diffusion model, which indicated that the porosity of the sorbent strongly influenced the rate of sorption. The analysis of the equilibrium sorption data revealed that ionic strength and temperature did not play any significant role in the metaldehyde uptake. The sorption isotherms were successfully predicted by the Freundlich model. The GAC used in this paper exhibited a higher affinity and sorption capacity for metaldehyde with respect to other GACs studied in previous works, probably as a result of its higher specific surface area and high point of zero charge.

}, keywords = {Degradation, Diffusion-controlled Sorption, Environmental Pollution, Granular Activated Carbon, Metaldehyde, Sorption Adsorption}, issn = {2220-1319}, doi = {10.2166/wrd.2016.074}, author = {Salvestrini, S. and Vanore, P. and Bogush, A. and Mayadevi, S. and Campos, L. C.} } @article {43885, title = {Spectroscopic and reactivity comparisons of a pair of bTAML complexes with Fe-V=O and Fe-IV=O units}, journal = {Inorganic Chemistry}, volume = {56}, year = {2017}, month = {JUN}, pages = {6352-6361}, type = {Article}, abstract = {In this report we compare the geometric and electronic structures and reactivities of [Fe-V(O)](-) and [Fe-IV(O)](2-) species supported by the same ancillary nonheme biuret tetraamido macrocyclic ligand (bTAML). Resonance Raman studies show that the Fe-O vibration of the [Fe-IV(O)](2-) complex 2 is at 798 cm(-1), compared to 862 cm(-1) for the corresponding [Fe-V(O)](-) species 3, a 64 cm(-1) frequency difference reasonably reproduced by density functional theory calculations. These values are, respectively, the lowest and the highest frequencies observed thus far for nonheme high-valent Fe-O complexes. Extended X-ray absorption fine structure analysis of 3 reveals an Fe-O bond length of 1.59 angstrom, which is 0.05 angstrom shorter than that found in complex 2. The redox potentials of 2 and 3 are 0.44 V (measured at pH 12) and 1.19 V (measured at pH 7) versus normal hydrogen electrode, respectively, corresponding to the [Fe-IV(O)](2-)/[Fe-III(OH)](2-) and [Fe-V(O)](-)/[Fe-IV(O)](2-) couples. Consistent with its higher potential (even after correcting for the pH difference), 3 oxidizes benzyl alcohol at pH 7 with a second-order rate constant that is 2500-fold bigger than that for 2 at pH 12. Furthermore, 2 exhibits a classical kinteic isotope effect (KIE) of 3 in the oxidation of benzyl alcohol to benzaldehyde versus a nonclassical KIE of 12 for 3, emphasizing the reactivity differences between 2 and 3.}, doi = {10.1021/acs.inorgchem.7b00448}, author = {Pattanayak, Santanu and Jasniewsk, Andrew J. and Rana, Atanu and Draksharapu, Apparao and Singh, Kundan K. and Weitz, Andrew and Hendrich, Michael and Que, Lawrence, Jr. and Dey, Abhishek and Sen Gupta, Sayam} } @article {43917, title = {Stabilization of γ-sterilized low-density polyethylene by synergistic mixtures of food-contact approval stabilizers}, journal = {International Journal of Industrial Chemistry}, volume = {8}, year = {2017}, month = {JUN}, pages = {145{\textendash}156}, abstract = {In our previous studies, we have found the synergistic combinations of stabilizers which follow different mechanisms of stabilization and are approved for food contact applications. The present attempt is to test the potentials of those systems in stabilizing γ-sterilized low-density polyethylene (LDPE). The results were discussed by comparing the stabilizing efficiency of mixtures with and without phenol systems as well as with their counterparts of isotactic polypropylene (iPP) and ethylene-propylene copolymers (EP) matrices. LDPE has been melt-mixed with tertiary hindered amine stabilizer (tert-HAS), oligomeric HAS stabilizer, phenolic and organo-phosphite antioxidants and subjected to γ-sterilization. Stabilization in terms of changes in oxidation products, tensile properties, yellowing and surface morphology was evaluated by FT-IR spectroscopy, Instron, colorimetry, and scanning electron microscopy (SEM), respectively. The results of the present study confirm the validity of those systems for protecting various polyolefins against γ-sterilization. The results showed that the synergism, antagonism and the trend in stabilization efficiency of the binary, ternary and quaternary stabilizer systems were almost similar in LDPE, iPP and EP matrices. The binary system of oligomeric HAS and tert-HAS has shown the antagonistic effect of stabilization, whereas their combination with organo-phosphite has exhibited synergistic effect even at higher doses of γ-sterilization. The combination of oligomeric HAS, tert-HAS, organo-phosphite and hindered phenol exhibited improved stabilization efficiency than single or binary additive systems. The phenol systems have shown long term of stability than that of phenol-free systems. It was found that the consumption of oligomeric stabilizer significantly depends on the components of stabilization mixture. It was concluded that the stability of polyolefins (LDPE, iPP and EP) against γ-sterilization can be achieved by blends of different stabilizers which are approved for food contact applications.}, doi = {10.1007/s40090-017-0117-0}, author = {Alariqi, Sameh A. S. and Al-Areqi, Niyazi A. S. and Alaghbari, Elyas Sadeq and Singh, Raj Pal} } @inbook {44022, title = {Step-growth polymers from cashew nut shell liquid (CNSL)-based aromatic difunctional monomers}, booktitle = {Cashew Nut Shell Liquid}, year = {2017}, pages = {163-214}, abstract = {

Cashew nut shell liquid (CNSL) is an attractive renewable resource material which is available in abundance (44,50,000 tonnes worldwide and 7,53,000 tonnes in India in 2013) at low cost (around 0.27 $/kg in 2015) and is mainly composed of anacardic acid, cardanol, cardol and 2-methyl cardol. Cardanol is obtained as a major product during hot oil extraction or roasting process of CNSL. Cardanol possesses interesting structural features. The aromatic ring of cardanol can undergo electrophilic substitution reactions; the unsaturated side chain can undergo epoxidation, hydrogenation, metathesis, etc., while the phenolic hydroxyl group can undergo various reactions such as esterification and alkylation. Such opportunities of chemical modifications offered by cardanol have been extensively explored to synthesise a range of interesting aromatic difunctional monomers that have subsequently been utilised to prepare a host of step-growth polymers. Summarised herein are research efforts that have contributed towards the synthesis of step-growth polymers based on aromatic difunctional monomers derived from cardanol. The properties of high-performance polymers, with a particular focus on processability and thermal characteristics, are highlighted.

}, doi = {10.1007/978-3-319-47455-7_9}, author = {Chatterjee, Deepshikha and Sadavarte, Nilakshi V. and Shingte, Rahul D. and More, Arvind S. and Tawade, Bhausaheb V. and Kulkarni, Arun D. and Ichake, Amol B. and Avadhani, C. V. and Wadgaonkar, Prakash P.} } @article {43974, title = {Stimulation of d - and l -lactate dehydrogenases transcriptional levels in presence of diammonium hydrogen phosphate resulting to enhanced lactic acid production by Lactobacillus strain}, journal = {Journal of Bioscience and Bioengineering}, volume = {17}, year = {2017}, month = {AUG}, pages = {1389-1723}, type = {Article}, abstract = {The present study revealed the effect of nitrogen sources on lactic acid production and stimulation of d- and l-lactate dehydrogenases (LDH) of parent Lactobacillus lactis NCIM 2368 and its mutant RM2-24 generated after UV mutagenesis. Both the parent and mutant strains were evaluated for d-lactic acid production in control and modified media. The modified media did not show remarkable effect on lactic acid production in case of parent whereas mutant exhibited significant enhancement in d-lactic acid production along with the appearance of l-lactic acid in the broth. Both LDH activities and specific activities were found to be higher in mutant than the parent strain. These results suggested that the diammonium hydrogen phosphate in modified media triggered the expression of LDH genes leading to enhanced lactic acid production. This observation has been proved by studying the expression levels of d- and l-LDH genes of parent and mutant in control and modified media using quantitative RT-PCR technique. In case of mutant, the transcriptional levels of d-LDH and l-LDH increased \~{}17 fold and \~{}1.38 fold respectively in modified medium compared to the values obtained with control medium. In case of parent, no significant change in transcriptional levels of d- and l-LDH was found when the cells were grown in either control medium or modified medium. This study suggested that the mutant, RM2-24 has l-LDH gene which is expressed in presence of (NH4)2HPO4 resulting in l-lactic acid production. Co-production of l-lactic acid in d-lactic acid fermentation may be detrimental in the PLA production.}, doi = {10.1016/j.jbiosc.2017.07.009}, author = {Singhvi, Mamata S. and Zendo, Takeshi and Iida, Hiroshi and Gokhale, Digambar V. and Sonomoto, Kenji} } @article {43664, title = {Strikingly diverse reactivity of structurally identical silylene and stannylene}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {MAY}, pages = {6528-6532}, abstract = {The reactivity of structurally identical silylene and stannylene [PhC(NtBu)(2)EN(SiMe3)(2)] (E = Si (1) and Sn (2)) towards coinage metals has been explored. While 1 has the propensity to form an adduct with coinage metals (4 and 5), 2 undergoes a ligand exchange reaction with copper halides and silver triflate leading to PhC(NtBu) 2SnX (X = Br (6), Cl (7), and OSO2CF3 (8)) with concomitant formation of [M{N(SiMe3) (2)}] (M = Cu, Ag). However, with AgSbF6 both 1 and 2 led to ion pairs, 9(+) .SbF(6)(-)and 10(+) . SbF(6)(-)displaying weaker Ag center dot center dot center dot center dot F interactions in the latter.}, doi = {10.1039/c7dt01055a}, author = {Parvin, Nasrina and Dasgupta, Rajarshi and Pal, Shiv and Sen, Sakya S. and Khan, Shabana} } @article {43693, title = {Structural and dynamics studies of the TetR family protein, CprB from Streptomyces coelicolor in complex with its biological operator sequence}, journal = {Journal of Structural Biology}, volume = {198}, year = {2017}, month = {MAy}, pages = {134-146}, type = {Article}, abstract = {In Streptomycetes, tetracycline repressor family of transcription regulators (TetR-FTRs) controls various biological processes including antibiotic biosynthesis, cellular morphology and innate resistance. Here, we focus on understanding the structural basis of transcription regulation by CprB, a member of TetR-FTRs from S. coelicolor. CprB is implicated as a receptor of gamma-butyrolactones, a class of quorum sensing molecules, responsible for initiating secondary metabolic pathways. In order to understand the molecular mechanism of DNA recognition, the X-ray structure of CprB in complex with its biological relevant operator sequence was solved to a resolution of 3.95 angstrom. Furthermore, to refine and compliment the results, atomistic molecular dynamics simulations were carried out using the X-ray structure as the template. The studies reveal that CprB binds to DNA as dimer of dimers with this mode of interaction results in minimal distortion in the DNA, enabling these proteins to recognize multiple sequences with varying affinity. Another crucial finding from our simulation results was that the positively charged N-terminal arm of CprB brings extra stability to the protein-DNA complex by interacting with the minor-groove of the DNA and anchoring itself to the phosphate backbone. Corroborating electrophoretic mobility shift assay and fluorescence anisotropy experiments showed that the mutant AN6-CprB exhibited about 7-8 fold reduced DNA binding. Comparison with other TetR-FTRs reveals that this strategy is also employed by over 25\% of TetR-FTRs, where N-terminal anchoring mechanism is used to enhance selectivity for a particular DNA sequence. (C) 2017 Elsevier Inc. All rights reserved.}, doi = {10.1016/j.jsb.2017.03.006}, author = {Bhukya, Hussain and Jana, Asis K. and Sengupta, Neelanjana and Anand, Ruchi} } @article {43996, title = {Structural insights into the hydrogen-bonding and folding pattern in ant-ant-pro-gly tetrapeptides}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {MAY}, pages = {2944{\textendash}2949}, type = {Article}, abstract = {In this paper, we provide structural insights into the hydrogen-bonding and folding pattern in Ant-Ant-Pro-Gly tetrapeptides (Ant: anthranilic acid; Pro: proline; and Gly: glycine). Comparison of the C-terminal esters and their amide analogs revealed strikingly different H-bonding networks. Whereas the ester analogs displayed an open structure without terminal H-bonding interactions, the amide analogs showed a completely folded structure. Structural details were revealed by using a combination of X-ray crystal structure studies and NOE-based molecular dynamics (MD) simulation studies.}, doi = {10.1002/ejoc.201700181}, author = {Baravkar, Sachin B. and Kotmale, Amol S. and Mobin, Samir R. and Gonnade, Rajesh Ghanshyam and Sanjayan, Gangadhar J.} } @article {43858, title = {Structural phases, magnetic properties and Maxwell-Wagner type relaxation of CoFe2O4/Sr2Co2Fe12O22 ferrite composites}, journal = {Materials Research Express}, volume = {4}, year = {2017}, month = {JUL}, pages = {Article Number: 076105}, type = {Article}, abstract = {CoFe2O4 (S:Y-1:0) and Sr2Co2Fe12O22 (S:Y-0:1) ferrites were synthesized separately by using chemical coprecipitation technique and calcined at 1000 degrees C for 5 h. The mixed ferrite composites (S:Y-3:7, 4:6, 5:5, 6:4 and 7:3) were prepared by physical mixing of individual ferrite powders in required weight proportions. The prepared composites were heated at 1150 degrees C for 5 h in a muffle furnace and then slowly cooled to room temperature. The prepared ferrites were characterized using various instrumental techniques like FTIR, XRD, SEM, VSM and dielectric measurements. The x-ray diffraction studies of pure Sr2Co2Fe12O22 ferrite sample show the presence of M and Y-type hexagonal phases, while the composites consist of spinel and Y-type phases. FTIR spectra of all samples show two bands of Fe-O stretching vibrations. VSM results of composites reveal that the values of the saturation magnetization (M-s) vary from 50.44 emu g(-1) to 31.21 emu g(-1), while remanent magnetization values found from 11.18 emu g(-1) to 3.70 emu g(-1). A higher value of coercivity (H-c = 562 emu g(-1)) is observed in the composite S:Y-3:7 but Mr/Ms ratio of pure and composites is found to be less than 0.5. The dielectric behavior is explained using Maxwell-Wegner type interfacial polarization and N. Rezlescu{\textquoteright}s model.}, doi = {10.1088/2053-1591/aa7699}, author = {Patel, Chirag K. and Solanki, Neha P. and Singh, Charanjeet and Jotania, Rajshree B. and Chauhan, Chetna C. and Kulkarni, Shailja D. and Shirsath, Sagar E.} } @article {45675, title = {Structure and short time degradation studies of sodium zirconium phosphate ceramics loaded with simulated fast breeder (FBR) waste}, journal = {Journal of Nuclear Materials}, volume = {487 }, year = {2017}, month = {APR}, pages = {5-12}, type = {Article}, abstract = {Sodium zirconium phosphate (NZP) ceramics have been prepared using conventional sintering and hot isostatic pressing (HIP) routes. The structure of NZP ceramics, prepared using the HIP route, has been compared with conventionally sintered NZP using a combination of X-ray diffraction (XRD) and (P-31 and Na-23) nuclear magnetic resonance (NMR) spectroscopy techniques. It is observed that NZP with no waste loading is aggressive toward the steel HIP -can during hot isostatic compaction and significant fraction of cations from the steel enter the ceramic material. Waste loaded NZP samples (10 wt\% simulated FBR waste) show significantly low can -interaction and primary NZP phase is evident in this material. Upon exposure of can -interacted and waste loaded NZP to boiling water and steam, P-31 NMR does not detect any major modifications in the network structure. However, the Na-23 NMR spectra indicate migration of Na+ ions from the surface and possible re -crystallization. This is corroborated by Small -Angle Neutron Scattering (SANS) data and Scanning Electron Microscopy (SEM) measurements carried out on these samples.}, doi = {10.1016/j.jnucmat.2017.01.054}, author = {Ananthanarayanan, A. and Ambashta, R. D. and Sudarsan, V. and Ajithkumar, T. and Sen, D. and Mazumder, S. and Wattal, P. K.} } @conference {44414, title = {Studies on use of sodium poly acrylate (SPA) for low salt animal skinpreservation}, booktitle = { IULTCS CONGRESS 2017}, year = {2017}, month = {FEB}, publisher = {Central Leather Research Institute}, organization = {Central Leather Research Institute}, address = { ITC CHOLA , CHENNAI}, abstract = {In this study, commercial sodium poly acrylate (SPA) is used along with sodium chloride for low salt skin preservation. SPA is a super-absorbent polymer which can absorb water many times of its own weight.}, author = {Sandhya, K. V. and Brindha, Velappan and Abinandan, Sudharsanam and Vedaraman, N. and John, Sundar V. and Suresha, P. R. and Badiger, Manohar and Chinnaraj, Velappan kandukalpatti and Muralidharan, C.} } @article {44012, title = {Study of the effect of operating parameters on the extractive distillation of isopropyl alcohol{\textendash}water mixture using dimethyl sulphoxide as an entrainer}, journal = {Indian Chemical Engineer}, volume = {60}, year = {2017}, month = {MAY}, pages = {141-161}, type = {Journal Article}, chapter = {1-21}, abstract = {

Abstract: In this paper, the simulation analysis of separation of isopropyl alcohol (IPA){\textendash}water via extractive distillation by using dimethyl sulphoxide as an entrainer is presented. The steady-state simulation for this process was done using Aspen Plus simulator. The aim of this work is to study the effect of various operating parameters such as number of stages, molar reflux ratio, binary feed stage number, entrainer feed stage number, temperature of entrainer feed and entrainer to feed molar ratio on the purity and energy consumption. The sensitivity of these parameters serves as a basis to choose the optimum operating conditions to maximize the IPA purity and minimize the energy requirement. In this analysis, among various operating parameters, those which directly affect the IPA purity and the parameters which affect the reboiler duty, for the given separation task, are identified. Simulation results with optimum operating conditions and their economic analysis are also presented.

}, keywords = {Aspen Plus Simulators, Azeotrope, Computer software, Distillation, Energy requirements, Energy utilization, Extractive distillation, Isopropyl alcohol/water, Isopropyl alcohols, Operating parameters, Optimum operating conditions, Sensitivity analysis, simulation, SimulationSteady-state simulations, Solvents}, issn = {0019-4506}, doi = {10.1080/00194506.2017.1322923}, author = {Ghuge, Pravin D. and Mali, Nilesh A. and Sirsam, R. S.} } @article {45696, title = {Study of thermally coupled distillation systems for energy-efficient distillation}, journal = {Sadhana-Academy Proceedings in Engineering Sciences}, volume = {42}, year = {2017}, month = {JAN}, pages = {119-128}, type = {Article}, abstract = {

Distillation is one of the most widely used separation unit operations in process industries, although it is quite energy intensive. In many cases, the enormous energy requirements for distillation make it economically infeasible to carry out the separation. Thermally coupled distillation system (TCDS) is an advanced distillation method that provides significant energy savings of about 30\% as compared with conventional distillation column sequences. The most well-known TCDS sequence, the Petlyuk configuration, has some operational challenges due to bidirectional vapour flow, which makes its implementation difficult in two-column mode. To overcome these limitations, a number of unidirectional vapour flow configurations have been proposed in the literature. The work on simulation analysis for such configurations is limited. In this paper, simulation models for two such configurations are developed, analyzed and compared with the Petlyuk and conventional distillation column sequences for separation of equimolar mixture of benzene-toluene-ethylbenzene.

}, keywords = {Distillation, energy efficient, Petlyuk, simulation, thermally coupled}, issn = {0256-2499}, doi = {10.1007/s12046-016-0580-x}, author = {Saxena, Neha and Mali, Nilesh and Satpute, Satchidanand} } @article {43258, title = {Superoxide generation and its involvement in the growth of mycobacterium smegmatis}, journal = {Frontiers in Microbiology}, volume = {8}, year = {2017}, month = {JAN}, pages = {Article Number: 105}, abstract = {

Superoxide generation is inevitable in aerobic organisms, most of which have developed mechanisms to detoxify superoxides. However, its significance has not been clearly understood in mycobacteria. This study demonstrates that NADH oxidase is the major source of superoxide in Mycobacterium smegmatis and elucidates the involvement of superoxide in M. smegmatis growth. The maximum inhibition of superoxide generation was observed in the presence of diphenyleneiodonium chloride (DPI), an NADH oxidase inhibitor, compared to other standard inhibitors. After incubation for 24 h, the number of colony forming units (CFUs) was reduced by 6.8 log10 compared to the untreated culture. The inhibitory effect of DPI on M. smegmatis was reversed when the same culture was supplemented with menadione and pyrogallol, which are superoxide generators. Thus, this study reports the source of superoxide generation and its involvement in the growth of M. smegmatis.

}, doi = {10.3389/fmicb.2017.00105}, author = {Yeware, Amar M. and Shurpali, Ketaki D. and Athalye, Meghana C. and Sarkar, Dhiman} } @article {44127, title = {Super-resolution probe to monitor HNO levels in the endoplasmic reticulum of cells}, journal = {Analytical Chemistry}, volume = {89}, year = {2017}, month = {NOV}, pages = {12087-12093}, type = {Article}, abstract = {Selective detection of nitroxyl (HNO), which has recently been identified as a reactive nitrogen species, is a challenging task. We report a BODIPY-based luminescence ON reagent for detection of HNO in aqueous solution and in live RAW 264.7 cells, based on the soft nucleophilicity of the phosphine oxide functionality toward HNO. The probe shows high selectivity to HNO over other reactive oxygen/nitrogen and sulfur species. Luminescence properties of the BODIPY-based chemodosimetric reagent make it an ideal candidate for use as a reagent for super-resolution structured illumination microscopy. The viability of the reagent for biological in vivo imaging application was also confirmed using Artemia as a model.}, doi = {10.1021/acs.analchem.7b02567}, author = {Ali, Firoj and Sreedharan, Sreejesh and Ashoka, Anila Hoskere and Saeed, Hiwa K. and Smythe, Carl G. W. and Thomas, Jim A. and Das, Amitava} } @article {45753, title = {Surface disordered rutile TiO2-graphene quantum dot hybrids: a new multifunctional material with superior photocatalytic and biofilm eradication properties}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {APR}, pages = {2642-2657}, type = {Article}, abstract = {The controlled introduction of defects in semiconductors has contributed to the development of electronic devices and technologies. Recently, chemical control over defects, formation of new hybrid materials and multifunctional nanostructures have been sought in energy, health, and environment related technologies. Surface-disordered anatase-TiO2 has received wide attention due to its exceptional photocatalytic performance. Herein, we demonstrate, for the first time, a one-step aqueous-phase synthesis of a surface-disordered rutile TiO2-graphene quantum dot (TG) hybrid material. The TG-hybrid is a rutile-TiO2 matrix in which homogeneous in situ insertion of GQDs occurs during the growth of the TiO2 particles. The TG-hybrid material showed superior photocatalytic performance with similar to 98\% solar light driven photo-degradation of methylene blue (MB) dye within 6 min and similar to 86\% of rhodamine-B (RhB) within 4 min which is much better than the photocatalytic performance shown by the rutile-TiO2 (similar to 30\% and similar to 20\%, respectively) and GQDs (similar to 15\% and similar to 8\%, respectively), themselves. Moreover, the TG-hybrid also showed enhanced toxicity to Gram-positive (S. aureus) as well as Gram-negative (E. coli, P. aeruginosa) bacterial cells. The growth-curves of E. coli cells, after incubating them with increasing concentrations of the TG-hybrid, showed that the TG-hybrid could effectively inhibit the growth of E. coli cells at a concentration of 60 mu g mL(-1). The effect of UV-light exposure on the bacterial-biofilm disruption by the TG-hybrid material was also investigated. It was observed that in the presence of UV-light, the biofilm disruption done by the TG-hybrid was larger in comparison to the TiO2 and GQDs alone, under the same conditions. The increase in the formation of reactive oxygen species (ROS) in the presence of sunlight for the TG-hybrid may be the reason behind its superior antibacterial and biofilm eradication properties. We believe that the TG-hybrid material will have applications in energy, health and environment related technologies.}, doi = { 10.1039/c6nj03607d}, author = {Biswas, A. and Salunke, G. and Khandelwal, P. and Das, R. and Poddar, P.} } @article {44008, title = {Syntheses and single crystal X-ray diffraction studies of hydroxynicotinic acid based complexes involving supramolecular interactions}, journal = {Polyhedron}, volume = {133}, year = {2017}, month = {SEP}, pages = {222-230}, type = {Journal Article}, abstract = {Aqua-bridged coordination polymers of Cu(II) and Cd(II) and a mononuclear complex of Cu(II) were solvothermally synthesized with hydroxy-decorated ligands such as 2-hydroxynicotinic acid (2-OHNAH) and 6-hydroxynicotinic acid (6-OHNAH) in aqueous-nonaqueous mixed media. All these complexes were characterized by elemental analyses (C, H, N), FT-IR, thermogravimetric analysis (TGA), powder XRD and single crystal X-ray crystallography. They are formulated as [Cu(2-OHNA)2] 1, [Cu(6-OHNA)2(μ-H2O)2]n 2 and [Cd(6-OHNA)2(μ-H2O)2]n 3. Complex 1 is mononuclear 0D square planar complex which extends its dimensionality by weak supramolecular interactions such as π{\textendash}π stacking interactions and intermolecular hydrogen bonding. Complexes 2 and 3 are polymeric aqua-bridged 1D infinite chain of Cu(II) and Cd(II), respectively. The central metal ions in these two complexes are in octahedral coordination environment. These two complexes are also assembled by π{\textendash}π stacking interactions, inter- and intramolecular hydrogen bonding interactions. }, keywords = {2-Hydroxynicotinic Acid, 6-Hydroxynicotinic Acid, Coordination polymer, Polymeric Aqua-Bridged, X-ray diffraction}, doi = { 10.1016/j.poly.2017.05.041}, author = {Singh, S.K.}, editor = {Srivastava, K.} } @article {43671, title = {Synthesis and antimycobacterial screening of new thiazolyl-oxazole derivatives}, journal = {European Journal of Medicinal Chemistry}, volume = {132}, year = {2017}, month = {MAY}, pages = {333-340}, type = {Article}, abstract = {

In the present study a series of 4-methyl-2-aryl-5-(2-aryl/benzyl thiazol-4-yl) oxazole (4a-v) have been synthesized and evaluated for their preliminary antitubercular, antimicrobial and cytotoxicity activity. Among all the synthesized compounds, 4v reported comparable activity against dormant M. tuberculosis H37Ra and M. bovis BCG strains with respect to standard drug rifampicin. The active compounds from the antitubercular study were further tested for anti-proliferative activity against HeLa, A549 and PANC-1 cell lines using MU assay and showed no significant cytotoxic activity at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antibacterial activities with MIC range of 2.1-26.8 mu g/mL. High potency, lower cytotoxicity and promising antimycobacterial activity suggested that these compounds could serve as good leads for further optimisation and development. (C) 2017 Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.ejmech.2017.03.065}, author = {Abhale, Yogita K. and Sasane, Amit V. and Chavan, Abhijit P. and Shekh, Saddam Husen and Deshmukh, Keshav K. and Bhansali, Sujit and Nawale, Laxman and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {42980, title = {Synthesis and antitubercular activity of new thiazolidinones with pyrazinyl and thiazolyl scaffolds}, journal = {Journal of Heterocyclic Chemistry}, volume = {54}, year = {2017}, month = {JAN}, pages = {125-130}, abstract = {

Emergence of multidrug resistant and extensively drug resistant tuberculosis has prompted to develop new molecular entities to treat the disease. A series of new 4-thiazolidinones with pyrazinyl and thiazolyl scaffolds has been synthesized, and their antitubercular activity is reported. The title 4-thiazolidinones, N-(pyrazinyl substituted thiazoloylamino)-2-aryl-4-thiazolidinones () have been first time prepared using pyrazinamide as a starting material via five successive steps. The purity and the structures of the intermediates (carboethoxythiazole, acid hydrazide, and azomethines) and title thiazolidinones () have been confirmed by TLC and spectral analyses, respectively. An antitubercular screening of the new 4-thiazolidinones has been performed on bacterial strains, Mycobacterium tuberculosis H37Ra and Mycobacterium BCG using the solutions of different concentrations of the compounds () and the screening results are presented. Compound has displayed notable antitubercular activity.

}, doi = {10.1002/jhet.2552}, author = {Dhumal, Sambhaji T. and Deshmukh, Amarsinh R. and Khillare, Lalit D. and Arkile, Manisha A. and Sarkar, Dhiman and Mane, Ramrao A.} } @article {43266, title = {Synthesis and biological evaluation of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione as anti-mycobacterial agents}, journal = {Chemical Biology \& Drug Design}, volume = {90}, year = {2017}, month = {JAN}, pages = {200-209}, type = {Article}, abstract = {Resistance among dormant mycobacteria leading to multi-drug resistant (MDR) and extremely-drug resistant(XDR) tuberculosis is one of the major threats. Hence, a series of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione derivatives (4a-5c) have been synthesised and screened for their anti-tubercular activity against Mycobacterium tuberculosis H37Ra (H37Ra). Thetriazolethiones4b and 4v showed high anti-tubercular activity (both MIC and IC50) against the dormant H37Ra by in vitro and ex vivo. They were shown to have more specificity towards mycobacteria than other gram-negative and gram- positive pathogenic bacteria. The cytotoxicity was almost insignificant up to 100 μg/mL against THP-1, A549 and PANC-1 human cancer cell lines, and solubility was high in aqueous solution, indicating the potential of developing these compounds further as novel therapeutics against tuberculosis infection.}, doi = {10.1111/cbdd.12939}, author = {Sonawane, Amol and Rode, Navnath D. and Nawale, Laxman U. and Joshi, Rohini R. and Joshi, Ramesh A. and Likhite, Anjali P. and Sarkar, Dhiman} } @article {42938, title = {Synthesis and biological evaluation of new fluconazole β-lactam conjugates linked via 1,2,3-triazole}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {FEB}, pages = {470-479}, abstract = {

Novel 1,2,3-triazole-linked β-lactam{\textendash}fluconazole conjugates 12(a{\textendash}l) were designed and synthesized. The compounds showed potent antifungal activity against two pathogenic Candida strains; Candida albicans ATCC 24433 and Candida albicans ATCC 10231 with MIC values in the range of 0.0625{\textendash}2 μg mL-1. Compounds 12h, 12j and 12k showed promising antifungal activity against all the tested fungal pathogens except C. neoformans ATCC 34554 compared to fluconazole. Compound 12j in which the β-lactam ring was formed using para-anisidine and benzaldehyde was found to be more potent than fluconazole against all the fungal strains with an IC50 value of \<0.015 μg mL-1 for Candida albicans (ATCC 24433). Mechanistic studies for active compounds revealed that the antifungal action was due to ergosterol inhibition. Compounds 12h and 12j at a concentration of 0.125 μg mL-1 caused 91.5 and 96.8\% ergosterol depletion, respectively, compared to fluconazole which at the same concentration caused 49\% ergosterol depletion. The molecular docking study revealed that all the fluconazole β-lactam conjugates 12(a{\textendash}l) could snugly fit into the active site of lanosterol 14α-demethylase (CYP51) with varying degrees of affinities. As anticipated, the binding energy for compound 12j (-58.961 kcal mol-1) was much smaller than that for fluconazole (-52.92 kcal mol-1). The synthesized compounds have therapeutic potential for the control of candidemia.

}, doi = {10.1039/C6NJ03117J}, author = {Divse, Jaisingh M. and Mhaske, Santosh B. and Charolkar, Chaitanya R. and Sant, Duhita G. and Tupe, Santosh G. and Deshpande, Mukund V. and Khedkar, Vijay M. and Nawale, Laxman U. and Sarkar, Dhiman and Pore, Vandana S.} } @article {43261, title = {Synthesis and cell imaging applications of fluorescent mono/di/tri-heterocycl- yl-2,6-dicyanoanilines}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {27}, year = {2017}, month = {DEC}, pages = {979-988}, abstract = {

Synthesis of 3,4,5-triheterocyclyl-2,6-dicyanoanilines, starting from heterocyclic aldehydes and 1,2-diheterocycle-substituted ethanones, is described. 2,6-Dicyanoanilines with one or two heterocyclic substituents have also been synthesized. It was found that some of these molecules have selective cell-staining properties useful for cell imaging applications. The compounds 1g, 10f and 11 were found to stain cytoplasm of the cells in contact but not the nucleus while the compound 12 showed affinity to apoptotic cells resulting in blue fluorescence. The cell imaging results with compound 12 were similar to Annexin V-FITC, a known reagent containing recombinant Annexin V conjugated to green-fluorescent FITC dye, used for detection of apoptotic cells. These compounds were found to be non-cytotoxic and have potential application as cell imaging agents.

}, doi = {10.1016/j.bmcl.2016.12.074}, author = {Pisal, Mahesh M. and Annadate, Ritesh A. and Athalye, Meghana C. and Kumar, Dipak and Chavan, Subhash P. and Sarkar, Dhiman and Borate, Hanumant B.} } @article {45761, title = {Synthesis and characterization of D-2PA-Pd(II)@SBA-15 catalyst via {\textquoteleft}{\textquoteleft}click chemistry{\textquoteright}{\textquoteright}: highly active catalyst for Suzuki coupling reactions}, journal = {Journal of Porous Materials}, volume = {24}, year = {2017}, month = {APR}, pages = {327-340}, type = {Article}, abstract = {

Copper catalysed cycloaddition reaction between azide and terminal alkyne, called as {\textquoteleft}{\textquoteleft}click reaction{\textquoteright}{\textquoteright}, was found to be modular approach for the synthesis of facile, highly efficient and recoverable D-2PA-Pd(II)@SBA-15 catalyst. In efforts to synthesize the catalyst, the cycloaddition reaction between azido-functionalized mesoporous SBA-15 and N,N-dimethyl-2-propynylamine (D-2PA) has been carried out, followed by the complexation with PdCl2. To analyze physiochemical properties of synthesized materials, various characterization techniques such as CHN elemental analysis, X-ray diffraction, solid state C-13 and Si-29 NMR spectra, FT-IR, XPS, SEM, TEM and N-2 sorption analysis, TGA and DTA, UV-Vis spectroscopy have been carried out. The synthesized catalyst, D-2PA-Pd(II)@SBA-15, exhibited excellent catalytic activities with good product yield and high TON towards Suzuki coupling reaction of various aryl halides with phenylboronic acid. The effect of solvent, base and temperature on coupling reactions has also been described. The developed protocol offers recyclability of catalyst for multiple (four) times without any appreciable loss in stability and catalytic reactivity.

}, keywords = {Click reaction, Cycloaddition, mesoporous materials, SBA-15, Suzuki coupling}, issn = {1380-2224}, doi = {10.1007/s10934-016-0266-0}, author = {Pathak, Aruna and Singh, A. P.} } @article {44045, title = {Synthesis and characterization of six-membered pincer nickelacycles and application in alkylation of benzothiazole}, journal = {Journal of Chemical Sciences}, volume = {129}, year = {2017}, month = {AUG}, pages = {1161-1169}, type = {Article}, abstract = {

Six-membered pincer nickelacycle complexes have been synthesized and employed for the catalytic C{\textendash}H bond alkylation of benzothiazole. The pincer nickelacycle, {κP, κC, κP- (2 - iPr 2POCH 2-C 6H 3- 6 -CH 2OP iPr 2)} NiBr , [(iPr4-POCCCOP)NiBr(2)] was synthesized by the reaction of 1,3 - iPr 2POCH 2-C 6H 4-CH 2OP iPr 2[(iPr4-POCCCOP)-H(1)] with (CH3CN)2NiBr2 in the presence of Et 3N via the C(2){\textendash}H activation on ligand 1. Treatment of [(iPr4-POCCCOP)NiBr](2) with AgOAc afforded the complex [(iPr 4-POCCCOP) Ni (OAc)] (3) in good yield. Both the complexes 2 and 3 were characterized by 1H , 13C and 31P -NMR spectral analysis. Further, the molecular structures of complexes 2 and 3 were established by X-ray crystallography. The complex 2 was found to be an active catalyst for the C{\textendash}H bond alkylation of benzothiazole with alkyl halides containing β{\textendash}hydrogen atoms. Graphical abstract: Synopsis. Six-membered pincer nickelacycles have been synthesized and structurally characterized, which show catalytic activity for the C{\textendash}H bond alkylation of benzothiazole with alkyl halides containing β{\textendash}hydrogen atoms.[Figure not available: see fulltext.].

}, keywords = {Active catalyst, Alkyl halides, Alkylation, Atoms, Benzothiazole, Benzothiazoles, Catalyst activity, Chemical activation, Crystallography, C{\textendash}H activation, Hydrogen atoms, Nickelacycles, Pincer complex, Pincer complexessix-membered nickelacycle, six-membered nickelacycle, Spectrum analysis, Synthesis (chemical), Synthesis and characterizations, X ray crystallography}, issn = {0974-3626}, doi = {10.1007/s12039-017-1338-7}, author = {Pandiri, H. and Sharma, D.M. and Gonnade, R.G. and Punji, B.} } @article {44041, title = {Synthesis, antimycobacterial screening and molecular docking studies of 4-aryl-4'-methyl-2'-aryl-2,5'-bisthiazole derivatives}, journal = {Medicinal Chemistry Research}, year = {2017}, month = {JUL}, type = {Article}, abstract = {A series of 4-aryl-4'-methyl-2'-aryl-2,5'-bisthia- zole derivatives (5a{\textendash}o) were synthesized and screened for inhibitory activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743) strains. Five lead compounds (5e, 5f, 5g, 5h, and 5o) were further confirmed from their dose dependent effect against MTB and Bovine{\textendash}Calmette{\textendash}Guerin. The most promising compounds 5f (MIC90: 11.32 μg/mL), 5h (MIC90: 11.59 μg/mL), and 5o (MIC90: 23.64 μg/mL) showed strong antitubercular activity against dormant MTB and BCG as well as almost insignificant cytotoxicity up to 100μg/mL against HeLa, A549, and PANC-1 human cancer cell lines. Further, the synthesized compounds were found to have potential antibacterial activity against Gram-negative bac- teria, Escherichia coli, Pseudomonas flurescence and Gram- positive bacteria, Staphylococcus aureus, Bacillus subtilis. Most of the synthesized compounds showed moderateactivity against fungal strain Candida albicans. Molecular docking studies of these compounds showed significant interactions with crystal structure of the cytochrome P45014α-sterol demethylase (CYP51) PDB ID: 1E9X. Hydrogen bond interactions with SER261 and VAL395 are important interactions for selective inhibition of designed inhibitors. Compounds 5f, 5h, and 5o showed significant interactions with 1E9X. All the experimental results promote us to consider this series as a starting point for the devel- opment of novel, selective and more potent antitubercular agents in the future.}, doi = {10.1007/s00044-017-1988-5}, author = {Abhale, Yogita K. and Shinde, Abhijit D. and Deshmukh, Keshav K. and Nawale, Laxman U. and Sarkar, Dhiman and Choudhari, Prafulla B. and Kumbhar, Santosh S. and Mhaske, Pravin C.} } @article {43971, title = {Synthesis, antitubercular and antimicrobial potential of some new thiazole substituted thiosemicarbazide derivatives}, journal = {Medicinal Chemistry Research}, volume = {26}, year = {2017}, month = {JUN}, chapter = {2557-2567}, abstract = {

The increase in antibiotic resistance due to multiple factors has warranted the need for the search of new compounds which are active against multidrug resistant pathogens. In this context a small focused library of thiosemicarbazide derivatives of 2-arylthiazole-4-carbaldehyde, 4-methyl-2-arylthiazole-5-carbaldehyde and 1-(4-methyl-2-arylthiazol-5-yl) ethanone, (5a{\textendash}l) has been synthesized. The title compounds were screened for inhibitory activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis Bacille Calmette Guerin (ATCC 35743) strains. The synthesized compounds, 5a{\textendash}l were further assayed for their cytotoxic activity against the two human cancer cell lines, HeLa and human colon carcinoma 116 cell lines and showed no significant cytotoxic activity against these two cell lines at the maximum concentration evaluated. Further, the synthesized compounds were found to have potential antibacterial activity against Gram-negative bacteria, Escherichia coli, Pseudomonas flurescence and Gram-positive bacteria, Staphylococcus aureus, Bacillus subtilis. Most of the synthesized compounds showed moderate activity against fungal strain Candida albicans. This study provides valuable directions to our ongoing endeavor of rationally designing more potent antimycobacterial agent. {\textcopyright} 2017, Springer Science+Business Media, LLC.

}, keywords = {Antimicrobial activity, Antitubercular activit, Cytotoxicity, Thiazole, Thiosemicarbazide}, issn = {1054-2523}, doi = {10.1007/s00044-017-1955-1}, author = {Abhale, Y. K. and Shinde, A. and Deshmukh, K. K. and Nawale, L. and Sarkar, D. and Mhaske, P. C.} } @article {44091, title = {Synthesis, biological evaluation, and molecular docking studies of novel 3-aryl-5-(alkyl-thio)-1H-1,2,4-triazoles derivatives targeting Mycobacterium tuberculosis}, journal = {Chemical Biology \& Drug Design}, volume = {90}, year = {2017}, month = {DEC}, pages = {1206-1214}, type = {Article}, abstract = {A small library of new 3-aryl-5-(alkyl-thio)-1H-1,2,4-triazoles was synthesized and screened for the antimycobacterial potency against Mycobacterium tuberculosis H37Ra strain and Mycobacterium bovis BCG both in active and dormant stage. Among the synthesized library, 25 compounds exhibited promising anti-TB activity in the range of IC(50)0.03-5.88g/ml for dormant stage and 20 compounds in the range of 0.03-6.96g/ml for active stage. Their lower toxicity (>100g/ml) and higher selectivity (SI=>10) against all cancer cell lines screened make them interesting compounds with potential antimycobacterial effects. Furthermore, to rationalize the observed biological activity data and to establish a structural basis for inhibition of M.tuberculosis, the molecular docking study was carried out against a potential target MTB CYP121 which revealed a significant correlation between the binding score and biological activity for these compounds. Cytotoxicity and in vivo pharmacokinetic studies suggested that 1,2,4-triazole analogues have an acceptable safety index, in vivo stability and bio-availability.}, doi = {10.1111/cbdd.13040}, author = {Rode, Navnath D. and Sonawane, Amol D. and Nawale, Laxman and Khedkar, Vijay M. and Joshi, Ramesh A. and Likhite, Anjali P. and Sarkar, Dhiman and Joshi, Rohini R.} } @article {43792, title = {Synthesis, characterization and electrochemical investigations of mixed-ligand copper(II)-organic supramolecular frameworks}, journal = {Journal of Molecular Structure}, volume = {1147}, year = {2017}, month = {NOV}, pages = {549-557}, type = {Article}, abstract = {

Two mixed-ligand copper(II)-organic coordination compounds with 5,5{\textquoteright}-dimethyl-2,2{\textquoteright}-bipyridine (5,5{\textquoteright}-Me(2)bpy) as a primary ligand while aliphatic malonate (Hmal) and aromatic 2-hydroxynicotinate (2-OHNA) as secondary ligands, were synthesized. These complexes are formulated as: [Cu(Hmal)(5,5{\textquoteright}-Me(2)bPY)(H2O)](ClO4) 1 and [Cu-2(2-OHNA)(2)(5,5{\textquoteright}-Me(2)bpy)(2)(NO3)KNO3) 2. These two complexes were structurally characterized by single crystal X-ray diffraction analysis. Characterization was further supported by powder X-ray diffraction analysis, elemental analyses, FT-IR, FAB-MASS and TGA, DSC studies. Cyclic voltammetric and UV-visible spectral studies of these two complexes have also been done. The electrochemical studies of complex 1 in DMSO and DMF have shown that this complex undergoes quasi reversible diffusion-controlled one-electron transfer reaction without any chemical complication while complex 2 in DMSO undergoes quasi-reversible diffusion-controlled one electron transfer reaction, following EC mechanism. The electrochemical behaviour of complex 2 in DMF is complicated probably due to presence of more than one species in solution phase. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {2 {\textquoteright}-bipyridine, 3, 5, 5 {\textquoteright}-dimethyl-2, 5-Tricarboxylic acid, Benzene-1, classification, Co-ordination-Compounds, Crystal-structures, cyclic voltammetry, magnetic properties, metal organic framework, Mixed-ligand complex, pi-pi stacking interaction, Polymers, Secondery Building Unit, Structural data, Supramolecular framework, Ternare Komplexe, X-ray diffraction}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2017.06.128}, author = {Singh, Sandeep K. and Srivastava, Ashish Kumar and Srivastava, Krishna and Banerjee, Rahul and Prasad, Jagdish} } @article {43924, title = {Synthesis of copper nanoparticles in presence of surfactants and evaluation of heat transfer performance of copper nanofluid}, journal = {Journal of Nanofluids}, volume = {6}, year = {2017}, month = {APR}, pages = {334-342}, type = {Article}, abstract = {

Copper nanoparticles were synthesized by reduction of copper nitrate hexahydrate using glucose as a green reducing agent. Effect of various synthesis parameters such as the amount of reducing agent, type of surfactant, the concentration of surfactant on particle size and morphology has been studied. Particles thus synthesized were characterized using analytical tools like X-ray Diffraction (XRD), Dynamic Light Scattering (DLS) and Scanning Electron Microscopy (SEM). XRD results show copper peaks at 2 angles 43.34, 50.48 and 74.19{\textdegree} corresponding to the planes (111), (200) and (220) respectively and possessing FCC (Face Centred Cubic) crystal lattice and polydispersed particles with crystallite size ranging from 43 to 103 nm. Further Cu nanoparticles were dispersed in water to prepare nanofluid and heat transfer properties such as heat transfer coefficient, viscosity and density were evaluated. Nanofluid models proposed elsewhere were also used for theoretical property evaluations. Nearly 100\% increase in heat transfer coefficient was observed at 1\% (by volume) particle concentration of copper nanoparticles in water.

}, keywords = {Chemical Reduction, Copper nanoparticles, green synthesis, Nanofluids, surfactant}, issn = {2169-432X}, doi = {doi.org/10.1166/jon.2017.1316}, author = {Kapadnis, Chetan V. and Gundeli, Kartik P. and Saini, Daulat R. and Bhatkhande, Dhananjay S.} } @article {43526, title = {Synthesis of extended conjugated indolyl chalcones as potent anti-breast cancer, anti-inflammatory and antioxidant agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {27}, year = {2017}, month = {APR}, pages = {1502-1507}, abstract = {In the present investigation, synthesis of a series of extended conjugated delta-chloro-alpha-cyano substituted indolyl chalcones (5a-p) was accomplished by reacting 3-cyanoacetylindole 2 with 3-chloro-3-phenylpropenal 4 in the presence of piperidine. The structural interpretations of newly synthesized compounds were based on chemical and spectroscopic evidences. Anti-tumor evaluation of the synthesized compounds in vitro against MCF-7 (breast carcinoma) cell line revealed that they possess high anti-tumor activities. Among them, compound 5e and 5a demonstrated excellent activity against breast carcinoma (GI(50) <0.1 and mu M respectively) as good as adriamycin (GI(50) <0.1 mu M). The compounds were also screened against the normal Vero monkey cell line, which showed moderate selectivity against inhibition of cancer cells. The effect of extended conjugation on activity authenticated by comparing activity profile of compound 5a, 5i and 5m with their simple analogues. Among the synthesized compounds, 5i and 51 were found to be active anti-inflammatory agents in addition to having noteworthy antioxidant potential. These results suggest the possible use of these compounds for the design and development of novel anti breast cancer agents. (C) 2017 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.bmcl.2017.02.052}, author = {Bhale, Pravin S. and Chavan, Hemant V. and Dongare, Sakharam B. and Shringare, Sadanand N. and Mule, Yoginath B. and Nagane, Samadhan S. and Bandgar, Babasaheb P.} } @inbook {45775, title = {Synthesis of fluorinated heterocycles via multicomponent reactions}, booktitle = {Multicomponent reactions: synthesis of bioactive heterocycles}, year = {2017}, pages = {183-199}, publisher = {CRC Press}, organization = {CRC Press}, chapter = {Synthesis of fluorinated heterocycles via multicomponent reactions}, abstract = {Fluorine is one of the most important elements in the periodic table because it is the most electronegative element, makes the strongest C-F bond, and is more polarized in organic synthesis. These unique and distinctive properties of fluorine make it very useful and widely applicable in the pharmaceutical and agrochemical industries. Hydrogen replaced with the fluorine of an organic compound can tune the pharmacokinetic and pharmacological properties of the molecule, which improve solubility, membrane permeability, 184metabolic stability, and receptor-binding properties compared with nonfluorinated analogs.1 Due to these unique properties of fluorine, organofluorine compounds are very applicative in medicinal, pharmaceutical, agrochemical, and material chemistry. This wide applicability of fluorine and organofluorine compounds attracts the attention of researchers and chemists. Labeled fluorine-18 is one of the most commonly used positron emitting radioisotopes in positron emission tomography (PET) imaging technology, which can detect presymptomatic biochemical changes in body tissues. In addition to its use in PET-CT, fluorine is used in preparation of chemically resistant polymer materials such as polytetrafluoroethylene (Teflon) or polarity to piezoelectric material such as polyvinylidene fluoride and organic liquid crystals for displays. Because of these many advantages of fluorine, organic chemists have developed various methods to introduce fluorine in organic molecules. During the last two decades, numerous organofluorine heterocyclics have been developed; in this chapter, we have summarized synthesis of multicomponent reactions (MCRs) in application of fluorine compound synthesis.}, issn = { 978-149873419-6}, doi = {10.1201/9781315369754}, author = {Shinde, S. S. and Thore, S. N. and Pawar, R. P. and Ameta, K. L. and Patil, S. N.} } @inbook {45804, title = {Synthesis of functional polymers of polar and nonpolar monomers by living and/or controlled polymerization}, booktitle = {Functional polymers: design, synthesis, and applications}, year = {2017}, pages = {3-56}, publisher = {Apple Academic Press}, organization = {Apple Academic Press}, chapter = {Synthesis of functional polymers of polar and nonpolar monomers by living and/or controlled polymerization}, isbn = {978-177188297-2}, issn = {978-177188296-5}, doi = {10.1201/9781315366524}, author = {Chowdhury, S. R. and Sivaram, S.} } @article {42943, title = {Synthesis of novel triazole-incorporated isatin derivatives as antifungal, antitubercular, and antioxidant agents and molecular docking study}, journal = {Journal of Heterocyclic Chemistry}, volume = {54}, year = {2017}, month = {JAN}, type = {Article}, abstract = {

A library of 1,2,3-triazoles efficiently prepared via click chemistry and evaluated for their antifungal, antitubercular, antioxidant, cytotoxicity, molecular docking and ADME prediction.

}, doi = {10.1002/jhet.2598}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash N. and Nawale, Laxman and Arkile, Manisha A. and Sarkar, Dhiman and Shingate, Bapurao B.} } @article {44019, title = {Synthesis of water soluble CdS nanoparticles and study of their DNA damage activity}, journal = {Arabian Journal of Chemistry}, volume = {10}, year = {2017}, month = {MAY}, pages = {3929-S3935}, type = {Article}, abstract = {

This study reports a novel method for preparation of water soluble CdS nanoparticles using leaf extract of a plant, Asparagus racemosus. The extract of the leaf tissue which worked as a stabilizing and capping agent, assisted the formation of nanoparticles. Nanoparticles were characterized using a UV{\textendash}vis spectrophotometer, Photoluminescence, TEM, EDAX, XRD and FT-IR. Transmission electron microscopy followed by selected area electron diffraction pattern analysis indicated the formation of spherical, polydispersed, crystalline, CdS of diameter ranging from 2 to 8 nm. X-ray diffraction studies showed the formation of 1 1 1, 2 2 0 and 3 1 1 planes of face-centered cubic (fcc) CdS. EDAX analysis confirmed the presence of Cd and S in nanosphere. The cytotoxicity test using MTT assay as well as DNA damage analysis using comet assay revealed that synthesized nano CdS quantum dots (QDs) caused less DNA damage and cell death of lymphocytes than pure CdS nanoparticles.

}, issn = {1878-5352}, doi = {10.1016/j.arabjc.2014.05.033}, author = {Prasad, K. S. and Amin, T. and Katuva, S. and Kumari, Madhu and Selvaraj, Kaliaperumal} } @article {45705, title = {Synthesis, structure and DNA interaction studies of bisphosphoramides: theoretical and experimental insights}, journal = {Inorganica Chimica Acta}, volume = {461}, year = {2017}, month = {MAY }, pages = {84-91}, type = {Article}, abstract = {

New bisphosphoramides (having phenyl (EDAPOPh(2)) and ethoxy (EDADEP) substituents attached to phosphoryl groups bridged with ethylenediamine spacer) are synthesized and structurally characterized by spectroscopic techniques as well as elemental analysis. The molecular structure of EDAPOPh(2) was determined by single crystal X-ray diffraction technique. The interaction of these bisphosphoramides with calf thymus DNA (ct-DNA) is investigated using UV-Visible absorption and fluorescence spectral data as well as the DFT calculations. These studies reveal that EDAPOPh(2) and EDADEP interact with DNA in a partial intercalation mode. The intrinsic binding constants K-b of two different bisphosphoramides with ct-DNA were determined by fluorescence spectroscopy as 2.08 x 10(4) and 3.86 x 10(4) M-1 respectively. The results indicated that the two compounds bind to ct-DNA with different binding affinities, i.e. EDAPOPh(2) \> EDADEP. The binding mechanism of these bisphosphoramides to ct-DNA is also discussed. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {Bisphosphoramides, crystal structure, DNA interaction, Molecular docking}, issn = {0020-1693}, doi = {10.1016/j.ica.2017.02.017}, author = {Goud, E. Veerashekhar and Sivaramakrishna, Akella and Vijayakrishna, Kari and Rao, C. V. S. Brahmmananda and Khedkar, Vijay M. and Jha, Prakash C.} } @article {44166, title = {Synthetic manipulation of hybrid perovskite systems in search of new and enhanced functionalities}, journal = {ChemSusChem}, volume = {10}, year = {2017}, month = {OCT}, pages = {3722-3739}, type = {Article}, abstract = {Over the past few years the organic-inorganic hybrid perovskite systems have emerged as a promising class of materials for photovoltaic and electroluminescent thin-film device applications, in view of their unique set of tunable optoelectronic properties. Importantly, these materials can be easily solution-processed at low temperatures and as such are amenable to facile molecular engineering. Thus, a variety of low-dimensional forms and quantum structures of these materials can be obtained through strategic synthetic manipulations through small molecule incorporation or molecular ion doping. In this Minireview, we specifically focus on these approaches and outline the possibilities of utilizing these for enhanced functionalities and newer application domains.}, doi = {10.1002/cssc.201701093}, author = {Naphade, Rounak and Nagane, Satyawan and Bansode, Umesh and Tathavadekar, Mukta and Sadhanala, Aditya and Ogale, Satishchandra} } @article {43900, title = {Tailoring the properties of mPEG-PLLA nanoparticles for better encapsulation and tuned release of the hydrophilic anticancer drug}, journal = {Drug Delivery and Translational Research}, volume = {7}, year = {2017}, month = {JUN}, pages = {416-427}, type = {Article}, abstract = {Gemcitabine is used as a first-line drug for treating many solid tumours. However, it suffers from a major drawback of strong side effects and short plasma half-life because of degradation by enzyme when administered intravenously. Polyesters and copolyesters are the most widely used and preferred class of biodegradable polymer. In the present work, efforts have been made to prepare poly(ethylene glycol) monomethoxy ether-poly(l-lactide) (mPEG-PLLA), a biodegradable amphiphilic copolymer with a view to improve the entrapment and tuned release of hydrophilic drug gemcitabine. The different mPEG-PLLA copolymers were synthesized with the varying ratios of mPEG and characterized by different techniques namely FTIR and {\textonesuperior}H NMR spectroscopy, solution viscosity, differential scanning calorimetry (DSC) and gel permeation chromatography (GPC). Gemcitabine-loaded nanoparticles were prepared using mPEG-PLLA copolymers by two methods i.e. nanoprecipitation and double emulsion solvent evaporation. The nanoprecipitation method showed very less entrapment and polymer solubility in the acetone-water mixture leading to uncontrolled polymer precipitation. The difficulties encountered in the nanoprecipitation method were overcome with the help of the double emulsion (w/o/w) solvent evaporation technique. It has been observed from the results that biodegradable copolymer nanoparticles protect the drug from degradation and also help in controlling the release of encapsulated drug. The properties of nanoparticles can be tailored by varying the composition of mPEG in order to get improved entrapment efficiency and desired drug release. The nanoparticles were assessed for their in vitro cytotoxicity (MTT and FACS) and cellular uptake (fluorescence microscopy) study which showed very promising results. Nanoparticles were also studied for their in vivo release after intravenous administration to Wistar albino rats, which successfully showed controlled drug release for more than 14 days.}, doi = {10.1007/s13346-017-0372-9}, author = {Surwase, Sachin S. and Munot, Neha Manish and Idage, Bhaskar B. and Idage, Susheela B.} } @article {43533, title = {Targeted drug delivery in covalent organic nanosheets (CONs) via sequential postsynthetic modification}, journal = {Journal of the American Chemical Society}, volume = {139}, year = {2017}, month = {MAR}, pages = {4513-4520}, abstract = {Covalent organic nanosheets (CONs) have emerged as a new class of functional two-dimensional (2D) porous organic polymeric materials with a high accessible surface, diverse functionality, and chemical stability. They could become versatile candidates for targeted drug delivery. Despite their many advantages, there are limitations to their use for target specific drug delivery. We anticipated that these drawbacks could be overturned by judicious postsynthetic modification steps to use CONs for targeted drug delivery. The postsynthetic modification would not only produce the desired functionality, it would also help to exfoliate to CONs as well. In order to meet this requirement, we have developed a facile, salt-mediated synthesis of covalent organic frameworks (COFs) in the presence of p-toluenesulfonic acid (PTSA). The COFs were subjected to sequential postsynthetic modifications to yield functionalized targeted CONs for targeted delivery of 5-fluorouracil to breast cancer cells. This postsynthetic modification resulted in simultaneous chemical delamination and functionalization to targeted CONs. Targeted CONs showed sustained release of the drug to the cancer cells through receptor mediated endocytosis, which led to cancer cell death via apoptosis. Considering the easy and facile COF synthesis, functionality based postsynthetic modifications, and chemical delamination to CONs for potential advantageous targeted drug delivery, this process can have a significant impact in biomedical applications.}, doi = {10.1021/jacs.7b00925}, author = {Mitra, Shouvik and Sasmal, Himadri Sekhar and Kundu, Tanay and Kandambeth, Sharath and Math, Kavya and Diaz Diaz, David and Banerjee, Rahul} } @article {43928, title = {Template -free assembly in living bacterial suspension under an external electric field}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {MAR}, pages = {1019-1024}, type = {Journal Article}, abstract = {

Although template-assisted self-assembly methods are very popular in materials and biological systems, they have certain limitations such as lack of tunability and switchable functionality because of the irreversible association of cells and their matrix components. With an aim to achieve more tunability, we have made an attempt to investigate the self-assembly behavior of rod-shaped living bacteria subjected to an external alternating electric field using confocal microscopy. We demonstrate that rod-shaped living bacteria dispersed in a low salinity aqueous medium form different types of reversible freely suspended structures when subjected to an external alternating electric field. At low field strength, an oriented phase is observed where individual bacterium orients with its major axis aligned along the field direction. At intermediate field strength, bacteria align in the form of one-dimensional (1D) chains that lie along the field direction. Further, at high field strength, more bacteria associate with these 1D chains laterally to form a two-dimensional (2D) array. At higher bacterial concentration, these field-induced 2D arrays extend to form three-dimensional columnar structures. These results are discussed in the context of previously reported studies on bacterial self-assembly.

}, keywords = {Bacteria, Electric Properties, Self- Assembly}, doi = {10.1021/acsomega.6b00541}, author = {Samantaray, Kunal and Bhol, Prachi and Sahoo, Bhaban and Barik, Subrat Kumar and Jathavedan, Kiran and Sahu, Bikash Ranjan and Bikash Ranjan and Suar, Mrutyunjay and Bhat, Suresh K. and Mohanty, Priti Sunda} } @article {44039, title = {Tf2NH-catalyzed 1,6-conjugate addition of vinyl azides with p-quinone methides: a mild and efficient method for the synthesis of β-bis-arylamides}, journal = {Synthesis}, year = {2017}, month = {JAN}, type = {Article}, abstract = {Tf2NH-catalyzed tandem 1,6-conjugate addition/Schmidt type rearrangement using vinyl azides and p-quinone methides to access a variety of β-bis-arylated amides is reported. The method is quick, efficient, mild, and high yielding with broad substrate scope.}, doi = {10.1055/s-0036-1588546}, author = {Rathod, Jayant and Sharma, Brijesh M. and Mali, Pramod S. and Kumar, Pradeep} } @article {43645, title = {Thermally conductive thin films derived from defect free graphene-natural rubber latex nanocomposite: preparation and properties}, journal = {Carbon}, volume = {119}, year = {2017}, month = {AUG}, pages = {527-534}, abstract = {Commercially useful rubber products viz. gloves, condoms, tyres, and rubber hoses used in high temperature environments, etc., require efficient thermal conductivity, which increases the lifetime of these products. Graphene can fetch this property, if it is effectively incorporated into the rubber matrix. The great challenge in preparing graphene-rubber nanocomposites is formulating a scalable method to produce defect free graphene and its homogeneous dispersion into polymer matrices through an aqueous medium. Here, we used a simple method to produce defect free few layer (2-5) graphene, which can be easily dispersed into natural rubber (NR) latex without adversely affecting its colloidal stability. The resulting new composite showed large increase in thermal conductivity (480-980\%) along with 40\% increase in tensile properties and 60\% improvement in electrical conductivity. This study provides a novel and generalized approach for the preparation of graphene based thermally conductive rubber nanocomposites. (C) 2017 The Authors. Published by Elsevier Ltd.}, doi = {10.1016/j.carbon.2017.04.068}, author = {George, Gejo and Sisupal, Suja Bhargavan and Tomy, Teenu and Pottammal, Bincy Akkoli and Kumaran, Alaganandam and Suvekbala, Vemparthan and Gopimohan, Rajmohan and Sivaram, Swaminathan and Ragupathy, Lakshminarayanan} } @article {43774, title = {Thermo-responsive PNIPAM-metal hybrids: an efficient nanocatalyst for the reduction of 4-nitrophenol}, journal = {Applied Surface Science}, volume = {420}, year = {2017}, month = {OCT}, pages = {753-763}, type = {Article}, abstract = {Micron size thermoresponsive cross-linked polymeric microgels of poly(N-isopropylacrylamide) (PNIPAM) are used as "microreactor" for embedding metal nanoparticles of different shapes. Using a simple and robust method, we have synthesized various polymer-metal hybrid nanostructures incorporated with Au nanorods (AuNR), Au nanospheres (AuNS) and Ag nanospheres (AgNS). These hybrid nanostructures have been characterized by transmission electron microscope (TEM), UV-vis spectroscopy, dynamic light scattering (DLS) and static light scattering (SLS) followed by their catalytic activity. TEM studies directly confirmed the mondispersity of synthesized hybrid microgels and stability of the embedded metal nanoparticles within the microgels. Optical studies confirmed the presence of respective absorption bands that correspond to AuNS, AgNS and AuNR respectively. Extensive DLS studies demonstrated that although these hybrid microgels preserve their thermoresponsive properties, i.e their hydrodynamic radius decreased with increasing temperature, their thermosensitivity were comparatively lesser than pure PNIPAM microgels. Combining with studies using static light scattering, we further found that AuNS and AgNS were inhomogeneously distributed within microgels where the majority of the nanoparticles present within the loosely cross-linked shell. On the other hand AuNR were distributed more homogeneously within the microgels. Catalytic performance of various nanostructures loaded onto PNIPAM microgel beads were evaluated by studying the catalytic reduction of 4-nitrophenol. Complete catalytic conversion using AgNS occurred in similar to 30 min with a first-order rate constant of 0.159 min(-1) having a 7 min induction period. On the other hand no induction period was observed for AuNS and AuNR and the reaction completed in 3-4 min with a first-order rate constant of 1.607 min(-1) and 1.627 min(-1) respectively. Further, PNIPAM-AuNS and PNIPAM-AuNR possess better catalytic activity as well as recyclability compared to that of PNIPAM-AgNS. (C) 2017 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apsusc.2017.05.172}, author = {Satapathy, Smith Sagar and Bhol, Prachi and Chakkarambath, Aswathy and Mohanta, Jagdeep and Samantaray, Kunal and Bhat, Suresh K. and Panda, Subhendu K. and Mohanty, Priti S. and Si, Satyabrata} } @article {43342, title = {Thermo-reversible sol-gel transition of aqueous solutions of patchy polymers}, journal = {RSC Advances}, volume = {7}, year = {2017}, month = {JAN}, pages = {5101-5110}, abstract = {While aqueous solutions of several amphiphilic thermo-reversible polymers show gelation upon heating, there are fewer examples of polymer solutions that exhibit gelation when cooled. This paper reports an interesting phenomenon of abrupt thermoreversible gelation of aqueous solutions of a hydrophobically modified polymer upon cooling. A high molecular weight precursor copolymer (PCP, (M-w) over bar approximate to 5 x 10(6) g mol(-1)) of N, N-dimethylacrylamide (70 mol\%) and acrylic acid (30 mol\%) was modified by reacting 10 mol\% of the acrylic acid groups with n-dodecyl amine to form a hydrophobically modified copolymer (HMCP). The composition of the copolymer was ascertained using NMR spectroscopy. Cooling the solution of PCP at a controlled rate resulted in a gradual increase in its low shear viscosity as dictated by the flow activation energy. In contrast, cooling the solution of HMCP under identical conditions resulted in an abrupt and large non-Arrhenius increase in viscosity at a specific transition temperature, which decreased with decrease in polymer concentration. Fluorescence measurements and dynamic light scattering data showed that abrupt gelation happened upon cooling, when polymer coils percolate accompanied with concomitant transition in chain conformation from compact micellar coils formed by intra-chain hydrophobic associations to swollen polymer coils connected by inter-chain hydrophobic interactions.}, doi = {10.1039/c6ra27030a}, author = {Parmar, Indravadan A. and Shedge, Aarti S. and Badiger, Manohar V. and Wadgaonkar, Prakash P. and Lele, Ashish K.} } @article {43991, title = {Three in one: prototropy-free highly stable AADD-type self-complementary quadruple hydrogen-bonded molecular duplexes with built-in fluorophore}, journal = {Chemical Communications}, volume = {53}, year = {2017}, month = {FEB}, type = {Article}, abstract = {This communication reports an effective approach for addressing the prototropy-related problems in heterocycle-based AADD-type self-assembling systems by freezing their hydrogen-bonding codes, by utilizing intramolecular bifurcated hydrogen bonding interactions. Using this strategy, we have also developed a hydroquinone-conjugated AADD-type self-assembling system adorned with three valuable features such as prototropy-free dimerization yielding single duplexes, high duplex stability and a built-in fluorophore, which would augment its application potential. The rational approach used herein to arrest prototropic shift may also find application elsewhere, wherein proton shift-mediated structural changes become a detrimental factor.}, doi = {10.1039/C6CC09478C}, author = {Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Sanjayan, Gangadhar J.} } @article {44043, title = {Total synthesis of bioactive canthine alkaloid cordatanine comprising in situ double oxidative aromatization of tetrahydrocarbazole}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {JUL}, chapter = {3945-3950}, abstract = {

Starting from tryptamine and methoxymaleic anhydride, concise and efficient total synthesis of cordatanine has been accomplished via regioselective reduction of methoxymaleimide, acid-catalyzed intramolecular cyclization of the formed lactamol, in situ stepwise oxidations leading to aromatization, and intramolecular cyclization with the exchange of N-regioselectivity. An attempted synthesis of regioisomeric natural product zanthochilone has been described in brief with reversal of reduction selectivity.\ 

}, issn = {2470-1343}, doi = {10.1021/acsomega.7b00609}, author = {Shelar, S. V. and N. P. Argade} } @article {44117, title = {Total synthesis of propolisbenzofuran B}, journal = {Organic Letters}, volume = {19}, year = {2017}, month = {DEC}, pages = {6466-6469}, type = {Article}, abstract = {An efficient synthesis of propolisbenzofuran B, which possesses promising anticancer activity, is reported. The key cyclohexanone framework of this tricyclic natural product has been constructed employing a Rh-catalyzed intramolecular olefin hydroacylation. The requisite key olefin intermediate was synthesized by using gold-catalyzed allenyl ether [1,3] O -> C rearrangement.}, doi = {10.1021/acs.orglett.7b02732}, author = {Srinivas, Kolluru and Ramana, Chepuri V.} } @article {43485, title = {Transition metal catalysis-a unique road map in the stereoselective synthesis of 1,3-polyols}, journal = {Organic \& Biomolecular Chemistry}, volume = {15}, year = {2017}, month = {JAN}, pages = {733-761}, abstract = {The present review summarizes recent diverse reactions employed in the formation of 1,3-polyols providing an overview of the mechanistic pathway and the enantioselectivity obtained, in terms of the properties of transition metals directly involved in the catalytic transformations and their interaction with various ligands.}, doi = {10.1039/c6ob01925k}, author = {Kumar, Pradeep and Tripathi, Divya and Sharma, Brijesh M. and Dwivedi, Namrata} } @article {43388, title = {Transition metal free catalytic hydroboration of aldehydes and aldimines by amidinato silane}, journal = {Dalton Transactions}, volume = {46}, year = {2017}, month = {FEB}, pages = {2420 - 2424}, abstract = {The transition metal free catalytic hydroboration of aldehydes and ketones is very limited and has not been reported with a well-defined silicon(iv) compound. Therefore, we chose to evaluate the previously reported silicon(iv) hydride [PhC(NtBu)2SiHCl2], (1) as a single component catalyst and found that it catalyzes the reductive hydroboration of a range of aldehydes with pinacolborane (HBpin) under ambient conditions. In addition, compound 1 can catalyze imine hydroboration. DFT calculation was carried out to understand the mechanism.}, doi = {10.1039/C6DT04893E}, author = {Bisai, Milan and Pahar, Sanjukta and Das, Tamal and Sen, Sakya S.} } @article {43490, title = {Triazine-based highly stable AADD-type self-complementary quadruple hydrogen-bonded systems devoid of prototropy}, journal = {Chemistry-A European Journal}, volume = {23}, year = {2017}, month = {JAN}, pages = {783-787}, abstract = {

A new class of 1,3,5-triazine-based quadruple hydrogen-bonded system featuring AADD-type self-complementary arrays has been developed and characterized. This system forms highly stable molecular duplex in non-polar solvent (K-dim \> 1.9 x 10(7) M-1 in CDCl3) without prototropy-related issues, raising its prospects for application in supramolecular polymer science.

}, doi = {10.1002/chem.201605208}, author = {Kheria, Sanjeev and Rayavarapu, Suresh and Kotmale, Amol S. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {43055, title = {Tri-tert-butanolamine as an organic promoter in nucleophilic fluorination}, journal = {ChemistrySelect}, volume = {2}, year = {2017}, month = {JAN}, pages = {118-122}, type = {Article}, abstract = {

Tri-tert-butanol amine acts as promoter with alkali metal salts in the nucleophilic fluorination of alkylsulfonates. It significantly enhances the reactivity of alkali metal salts with minimum formation of side-products (alkene, ether, and alcohol) com-pared to other catalysts in fluorination reaction. The synergism of tert-alcohol and amine moiety plays a pivotal role in fluorination.

}, doi = {10.1002/slct.201601735}, author = {Shinde, Sandip S. and Khonde, Nilesh and Kumar, P.} } @article {44149, title = {Two-phase system for the clean and high yield synthesis of furylmethane derivatives over- SO3H functionalized ionic liquids}, journal = {Green Chemistry}, volume = {19}, year = {2017}, month = {OCT}, pages = {4804-4810}, type = {Article}, abstract = {A new and effective unique two-phase reaction system is investigated for the high yield production of tri(furyl) methane from furfural and furan. This strategy includes the use of an acidic aqueous phase (water + -SO3H functionalized IL) and furan phase, which significantly suppresses polymer formation, thereby increasing the yield of tri(furyl) methane. Furan serves as a reactant as well as an extraction solvent for the recovery of the condensation products. For comparison, different -SO3H functionalized ionic liquids are prepared and their performances evaluated for the condensation of furan and furfural. The ionic liquids with alkyl chain linkers are found to be more effective and acidic than those with imidazolium linked N-sulfonic acids. In addition, an increase in carbon chain length between imidazole/tri-ethylamine/pyridine and -SO3H, increases the catalytic activity of the respective ionic liquids. Among the several prepared ionic liquids, the strongly acidic imidazolium based butylsulfonic acid 6 shows the best activity with a maximum condensation product yield of 84\%. This strategy offers a significantly high yield of the condensation products of furan and furfural compared to the traditional mineral acid route. The activity and stability of the -SO3H functionalized 6 is confirmed from seven successful recycles, in which there is no reduction in its activity. Finally, this new strategy is successfully extended for the condensation of furan derivatives (e. g. furan and 2-methylfuran) with several different aldehydes, ketones and alcohols.}, doi = {10.1039/c7gc01654a}, author = {Shinde, S. H. and Rode, C. V.} } @article {44411, title = {Ultra small nanoclusters to nanoparticles: fine tuning of particle size in water dispersible cation functionalized thiolate protected Pd system}, journal = {Materials Today-Proceedings}, volume = {4}, year = {2017}, month = {MAR}, pages = {9440-9444}, abstract = {Monolayer protected noble metal nanoparticles have attracted considerable attention in the past decade with potential applications in fields ranging from catalysis to biosensors [1, 2,]. We have developed a novel procedure for the synthesis of water dispersible Pd nanoparticles based on a bifunctional ligand, N,N,N-tripropyl(11-mercaptoundecyl) ammonium chloride in which thiol group binds to the metal, hydrophobic middle alkyl chain acts as capping agent and provides steric stability and on the other end the ammonia group helps in making nanoparticles hydrophilic. In this paper, we report the fine-tuning of size of water dispersible Pd nanosystems ranging from clusters to nanoparticles by adjusting the synthetic parameters and their characterization. (C) 2017 Elsevier Ltd. All rights reserved.}, author = {Dhanraj, Prakriti and Samanta, Anupam and Devi, R. Nandini} } @article {43793, title = {Ultrahigh ionic conduction in water-stable close-packed metal-carbonate frameworks}, journal = {Inorganic Chemistry}, volume = {56}, year = {2017}, month = {AUG}, pages = {9710-9715}, type = {Article}, abstract = {Utilization of the robust metal-carbonate backbone in a series of water-stable, anionic frameworks has been harnessed for the function of highly efficient solid-state ion conduction. The compact organization of hydrophilic guest ions facilitates water-assisted ion-conduction in all the compounds. The dense packing of the compounds imparts high ion-conducting ability and minimizes the possibility of fuel crossover, making this approach promising for design and development of compounds as potential components of energy devices. This work presents the first report of evaluating ion-conduction in a purely metal-carbonate framework, which exhibits high ion-conductivity on the order of 10(-2) S cm(-1) along with very low activation energy, which is comparable to highly conducting well-known crystalline coordination polymers or commercialized organic polymers like Nafion.}, doi = {10.1021/acs.inorgchem.7b01217}, author = {Manna, Biplab and Desai, Aamod V. and Illathvalappil, Rajith and Gupta, Kriti and Sen, Arunabha and Kurungot, Sreekumar and Ghosh, Sujit K.} } @article {43975, title = {Ultrananocrystalline diamond decoration on to the single wall carbon nano tubes}, journal = {Applied Surface Science}, volume = { 418}, year = {2017}, month = {OCT}, pages = {401-405}, type = {Journal Article}, abstract = {

We have demonstrated the decoration of the ultrananocrystalline diamonds on single walled carbon nanotubes using a hot filament assisted chemical vapor deposition. Study reveals the critical influence of the filament to substrate distance on the formation of ultrananocrystalline diamonds on to the single walled carbon nanotubes. It is also observed that etching of carbon nanotubes, due to the presence of unavoidable atomic hydrogen throughout the chemical vapor deposition processes, can be significantly reduced by adjusting the filament to substrate distance. Morphological and structural investigations performed using high resolution transmission electron microscope suggests the growth of ultrananocrystalline diamond is subsequent to the formation of crystalline sp2 carbon layer on the nanotube wall, enabling us to suggest a growth model. The composite synthesized can be thought not only to use as a fuel cell catalyst support but also as chemical sensors, bio-sensors and micro electromechanical systems (MEMS).

}, keywords = {Carbon nanotubes, Composite Coating, Electron microscopy (STEM, Nanostructures, TEM and SEM)}, doi = { 10.1016/j.apsusc.2016.12.057}, author = {Sinha, B. and Late, D. and Jejurikar, S.M.} } @article {43786, title = {Ultraviolet photosensor based on few layered reduced graphene oxide nanosheets}, journal = {Applied Surface Science}, volume = {418}, year = {2017}, month = {OCT}, pages = {374-379 }, type = {Article}, abstract = {Reduced graphene oxide (RGO), a two-dimensional (2D) system, has attracted much interest in photonic applications owing to its ability to absorb light over a broad wavelength. This leads to several studies on RGO-based photosensors. In this paper, chemical oxidation of graphite was carried out at room temperature for the preparation of large area reduced graphene oxide using a modified Hummer{\textquoteright}s method. The as-prepared reduced graphene oxide was characterized by XRD, Raman spectroscopy, FESEM, and TEM to confirm the absence of impurities and to ascertain their morphology. In addition, the as-prepared reduced graphene oxide for its possible application as UV photosensor is reported. The electric and optoelectronic properties of RGO based UV photosensor shows a fast response and recovery time of 1 s and 3 s; high photoresponsitivity (3.74AW(-1)) and quantum efficiency (1274\%) indicating that the graphene oxide is an important material for high performance photosensor. This work demonstrates the ultrafast photoresponse with high photoresponsivity, proving its potential as a promising material for optoelectronic devices. 2016 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.apsusc.2016.12.150}, author = {Shelke, Nitin T. and Karche, B. R.} } @article {44087, title = {Understanding alloy structure and composition in sinter-resistant AgPd@SiO2 encapsulated catalysts and their effect on catalytic properties}, journal = {New Journal of Chemistry}, volume = {41}, year = {2017}, month = {DEC}, pages = {14652-14658}, type = {Article}, abstract = {The extent of alloying and the alloy composition, which are crucial in determining the activity and selectivity of bimetallic catalysts, were studied in porous silica encapsulated AgPd catalysts using XRD, HRTEM and HAADF-STEM. Water-dispersible ligand protected Pd ultra-small clusters and Ag nanoparticles of three different sizes were used as the precursors. The high reactivity of Pd ultra-small clusters enhanced the alloying of larger Ag nanoparticles to some extent. Encapsulation appeared to have minimised the sintering of the resultant nanoparticles. The earlier suggestions of the role of d-band positions with respect to adsorption energies holds good for the AgPd system and alloying enhances the activity. Alloy with the composition of Ag50Pd50 was found to be the most active with the reaction rate enhanced two fold compared to that in other compositions. Other factors like particle size and sinter-resistance also played important roles in enhancing the activity of these catalysts.}, doi = {10.1039/c7nj03652c}, author = {Mondal, Sourik and Rajesh, Thattarathody and Dhar, Basab B. and Snellman, Markus and Li, Junjie and Deepak, Francis Leonard and Devi, R. Nandini} } @article {43720, title = {Understanding the factors influencing quality of writing and wiping for chalk and board system}, journal = {Current Science}, volume = {112}, year = {2017}, month = {APR}, pages = {1727-1737}, type = {Article}, abstract = {This article reports the properties of a calcium carbonate-based writing chalk prepared at the CSIR-Central Salt and Marine Chemicals Research Institute (CSIR-CSMCRI) and, further, our efforts to understand the process of writing with the chalk on two different boards. The optimum density of the chalk was found to be 1.52 g ml(-1), keeping in mind the careful balancing act between strength and dust-free nature of the chalk on one hand, and the ease of particle transfer onto the board on the other. Writing with the chalk yielded thin and compact appearance on a ceramic board, while that on a polymeric board was relatively broad and dispersed. Atomic force and scanning electron microscopic studies were carried out to rationalize the observation by correlating roughness on the board with the distribution of chalk particles. Wiping efficiency of the polyurethane-based duster prepared at CSIR-CSMCRI was compared with commercial duster, and the observations rationalized again with the scanning electron microscopy.}, doi = {10.18520/cs/v112/i08/1727-1737}, author = {Thakur, Rajendra S. and Shukla, Jignesh J. and Desale, Girish R. and Ghosh, Pushpito K.} } @article {45733, title = {Unified approach to fused and spirocyclic oxindoles through lewis-acid-promoted opening of spiroepoxyoxindoles with allylsilanes: application to the formal synthesis of (+/-)-physovenine}, journal = {European Journal of Organic Chemistry}, year = {2017}, month = {MAY }, pages = {2603-2609}, type = {Article}, abstract = {

A protocol for the construction of oxindoles containing all-carbon quaternary centres in a highly regioselective manner has been developed. The reaction involves opening of spiroepoxyoxindoles with allylsilanes to give Hosomi-Sakurai-type products as well as new silicon-containing spirocyclic oxindoles. A formal synthesis of (+/-)-physovenine was accomplished in five steps using this protocol.

}, keywords = {alkaloids, Allylation, annulation, Lewis acids, spiro compounds}, issn = {1434-193X}, doi = {10.1002/ejoc.201700259}, author = {Sharma, Brijesh M. and Yadav, Mahesh and Gonnade, Rajesh G. and Kumar, Pradeep} } @article {45750, title = {Unified strategy for silver-, base-, and oxidant-free direct arylation of C-H bonds}, journal = {Green Chemistry}, volume = {19}, year = {2017}, month = {MAY }, pages = {2111-2117}, type = {Article}, abstract = {

Here, we report a dual catalytic approach for room temperature direct arylation of C-H bonds with aryldiazonium salts as a simple aryl group donor, also working as an internal oxidant via C-N-2 bond cleavage. This unified strategy has been achieved by the synergistic combination of visible-light metal-free photoredox and palladium catalysis under silver-, base-and/or additive-free conditions. The broad substrate scope, functional group tolerance, excellent regioselectivity and redox-neutral conditions of this process make it attractive for the effective synthesis of a wide range of important N-heterocyclic commodities such as dibenzo [b,d]azepine, carbazole and phenanthridine.

}, issn = {1463-9262}, doi = {10.1039/c6gc03438a}, author = {Sahoo, Manoj K. and Midya, Siba P. and Landge, Vinod G. and Balaraman, Ekambaram} } @article {43866, title = {Unprecedented solvent induced inter-conversion between monomeric and dimeric silylene-zinc iodide adducts}, journal = {Dalton Transaction }, volume = {46}, year = {2017}, month = {SEP}, chapter = {11418-11424}, abstract = {

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

}, keywords = {Bis(Silylene ), Carbene Complexes, Crystal -structure Determination, Dative bond, Lewis acid base reaction, Ligands, Main- group compounds, Reactivity, Silicon(II) Bis(Trimethylsilyl)Amide; Carbonyl-Complexes}, issn = {1477-9226}, doi = {10.1039/c7dt01823a}, author = {Yadav, Sandeep and Sangtani, Ekta and Dhawan, Diksha and Gonnade, Rajesh G. and Ghosh, Debashree and Sen, Sakya S.} } @conference {45758, title = {Unraveling structure sensitivity in phenol hydrogenaton on Pd nanostructures}, booktitle = {253rd National Meeting of the American-Chemical-Society (ACS) on Advanced Materials, Technologies, Systems, and Processes}, year = {2017}, month = {APR }, publisher = {Amer Chemical Soc, 1155 16TH ST, NW, Washington, DC 20036 USA}, organization = {Amer Chemical Soc, 1155 16TH ST, NW, Washington, DC 20036 USA}, address = {San Francisco, CA}, author = {Haider, M. Ali and Seshadri, Sreedhala and Gupta, Shelaka and Khan, Tuhin and Prabhakaran, Vinod} } @article {45688, title = {Visible-light active catechol-metal oxide carbonaceous polymeric material for enhanced photocatalytic activity}, journal = {Journal of Materials Chemistry A}, volume = {5}, year = {2017}, month = {JAN}, pages = {384-396}, type = {Article}, abstract = {

esigning new materials for sustainable energy and environmental applications is one of the prime focuses in chemical science. Here, an unprecedented visible-light active catechol-TiO2 carbonaceous polymer based organic-inorganic hybrid material was synthesized by a photosynthetic route. The visible light induced (\> 400 nm) photosynthetic polymerization of catechol led to the formation of carbonaceous polymeric deposits on the surface of TiO2. The band gap energy of hybrids was shifted to the visible region by orbital hybridization between 3d(Ti) of TiO2 and 2p(O), pi(C) of catechol. The Tauc plot clearly revealed that 1.0 wt\% catechol-TiO2 carbonaceous polymer remarkably tailored the optical band gap of TiO2 from 3.1 eV to 1.9 eV. The synthesized hybrid materials were thoroughly characterized and their photocatalytic activity was evaluated towards toxic Cr(VI) to relatively less toxic Cr(III) reduction under visible light irradiation (\> 400 nm), and solar light-driven H-2 production through water splitting. Very interestingly, the hybrid material showed 5- and 10-fold enhanced activity for photocatalytic Cr(VI) reduction and solar light-driven H-2 production respectively compared with pure TiO2. Moreover, the hybrid materials showed enhanced stability during photocatalysis. Thus, the simple photosynthetic strategy for developing light harvesting organic-inorganic hybrid materials can open up potential applications in energy and environmental remediation.

}, doi = {10.1039/c6ta07685h}, author = {Karthik, P. and Vinoth, R. and Selvam, P. and Balaraman, E. and Navaneethan, M. and Hayakawa, Y. and Neppolian, B.} } @article {44408, title = {ZnO{\textendash}ZnS heterojunctions: a potential candidate for optoelectronics applications and mineralization of endocrine disruptors in direct sunlight}, journal = {ACS Omega}, volume = {2}, year = {2017}, month = {OCT}, pages = {6768{\textendash}6781}, type = {Article}, abstract = {

Simple solution combustion synthesis was adopted to synthesize ZnO{\textendash}ZnS (ZSx) nanocomposites using zinc nitrate as an oxidant and a mixture of urea and thiourea as a fuel. A large thiourea/urea ratio leads to more ZnS in ZSx with heterojunctions between ZnS and ZnO and throughout the bulk; tunable ZnS crystallite size and textural properties are an added advantage. The amount of ZnS in ZSx can be varied by simply changing the thiourea content. Although ZnO and ZnS are wide band gap semiconductors, ZSx exhibits visible light absorption, at least up to 525 nm. This demonstrates an effective reduction of the optical band gap and substantial changes in its electronic structure. Raman spectroscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and secondary-ion mass spectrometry results show features due to ZnO and ZnS and confirm the composite nature with heterojunctions. The above mentioned observations demonstrate the multifunctional nature of ZSx. Bare ZSx exhibits a promising sunlight-driven photocatalytic activity for complete mineralization of endocrine disruptors such as 2,4-dichlorophenol and endosulphan. ZSx also exhibits photocurrent generation at no applied bias. Dye-sensitized solar cell performance evaluation with ZSx shows up to 4\% efficiency and 48\% incident photon conversion efficiency. Heterojunctions observed between ZnO and ZnS nanocrystallites in high-resolution transmission electron microscopy suggest the reason for effective separation of electron{\textendash}hole pairs and their utilization.

}, doi = {10.1021/acsomega.7b01172}, author = {Perumal Devaraji and Maitri Mapa and Hasna M. Abdul Hakkeem and Vediappan Sudhakar and Kothandam Krishnamoorthy and Chinnakonda S. Gopinath} } @article {45505, title = {2D layered transition metal dichalcogenides (MoS2): Synthesis, applications and theoretical aspects}, journal = {Applied Materials Today}, volume = {13}, year = {2018}, month = {DEC}, pages = {242-270}, type = {Article}, abstract = {Recently, graphene and other two-dimensional (2D) transition metal dichalcogenides (TMDCs) have been widely explored due to their unique optical, mechanical, electrical and sensing properties for versatile electronic and optoelectronic applications. The atomically thin layers of TMDC materials have shown potential to replace state-of-the-art silicon-based technology. Graphene has already revealed an excess of new physics and multifaceted applications in several areas. Similarly, mono-layers of TMDCs such as molybdenum disulfide (MoS2) have also shown excellent electrical and optical properties possessing a direct band-gap of \~{}1.8 eV combined with high mechanical flexibility. In contrast to semi-metallic graphene, the semiconducting behavior of MoS2 allows it to overcome the deficiencies of zero-band-gap graphene. This review summarizes the synthesis of 2D MoS2 by several techniques, i.e., mechanical and chemical exfoliation, RF-sputtering, atomic layer deposition (ALD) and chemical vapor deposition (CVD), etc. Furthermore, extensive studies based on potential applications of MoS2 such as the sensor, solar cells, field emission and as an efficient catalyst for hydrogen generation has been included. Theoretical aspects combined with the experimental observations to provide more insights on the dielectric, optical and topological behavior of MoS2 was highlighted. }, issn = {23529407}, doi = {10.1016/j.apmt.2018.09.003}, author = {Singh, A.K. and Kumar, P. and Late, D.J. and Kumar, A. and Patel, S. and Singh, J.} } @article {44416, title = {Accelerated in vitro model for occlusion of biliary stents: investigating the role played by dietary fibre}, journal = {BMJ Innovations}, volume = {4}, year = {2018}, month = {NOV}, abstract = {ackground To develop a new accelerated in vitro model that has implications for investigating the mechanism of biliary stent occlusion and help in the development of new materials that can alleviate this problem. Methods We employ a combination of reconstituted animal bile, bacteria and cellulose fibres optimised to reproducibly generate accelerated occlusion of stents, and produce occlusions that closely mimic those found in clinical studies. Results Our model affords repeatable, highly accelerated occlusion (within 2{\textendash}3 days, compared with between about a week to 2 months in previous models). Our results highlight the role of dietary fibre in blockage of stents and demonstrate their importance in the onset of occlusion. Conclusions This accelerated model may have implications for developing biliary stents with enhanced patency.}, doi = {dx.doi.org/10.1136/bmjinnov-2017-000209}, author = {Surwase, Sachin and Balakrishnan, Harishankar and Acharya, Subrat K. and Makharia, Govind K. and Kumaraswamy, Guruswamy and Bhagavatula L. V. Prasad} } @article {44417, title = {Access to silicon(II)- and germanium(II)-indium compounds}, journal = {Organometallics}, volume = {37}, year = {2018}, month = {APR}, pages = {1206-1213}, abstract = {Despite the remarkable ability of N-heterocyclic silylene to act as a Lewis base and form stable Lewis adducts with group 13 elements such as boron, aluminum, and gallium, there has been no such comparable investigation with indium and the realization of a stable silylene-indium complex has still remained elusive. Similarly, a germylene-indium complex is also presently unknown. We describe herein the reactions of [PhC(NtBu)(2)SiN-(SiMe3)(2)] (1) and [PhC(NtBu)(2)GeN(SiMe3)(2)] (4) with InCl3 and InBr3 that have resulted in the first silylene-indium complexes, [PhC(NtBu)(2)Si{N(SiMe3)(2)}-> InCl3] (2) and [PhC(NtBu)(2)Si{N(SiMe3)(2)}-> InBr3] (3), as well as the first germylene-indium complexes, [PhC(NtBu)(2)Ge{N(SiMe3)(2)}-> InCl3] (5) and [PhC(NtBu)(2)Ge{N(SiMe3)(2)}-> InBr3] (6). The solid-state structures of all species have been validated by single-crystal X-ray diffraction studies. Note that 5 and 6 are the first structurally characterized organometallic compounds that feature a Ge-In single bond (apart from the compounds in Zintl phases). Theoretical calculations reveal that the Si(II)-> In bonds in 2 and 3 and the Ge(II)-> In bonds in 5 and 6 are dative bonds.}, doi = {10.1021/acs.organomet.8b00093}, author = {Pahar, Sanjukta and Karak, Suvendu and Pait, Moumita and Raj, K. Vipin and Vanka, Kumar and Sen, Sakya S.} } @article {45428, title = { Accessing alpha-arylated nitriles via BF3 center dot OEt2 catalyzed cyanation of para-quinone methides using tert-butyl isocyanide as a cyanide source}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {OCT}, pages = {12305-12314}, type = {Article}, abstract = {BF3 center dot OEt2 catalyzed 1,6-conjugate addition of tertbutyl isocyanide to para-quinone methides and fuchsones for the synthesis of alpha-diaryl and alpha-triaryl nitriles has been reported. This protocol allows alpha-diaryl- and alpha-triaryl nitriles to be accessed in good to excellent yields and with a broad substrate scope, which could be further functionalized to give a versatile set of products. This is the first example wherein tert-butyl isocyanide has been used as a cyanide source for the 1,6-conjugate addition.}, issn = { 0022-3263}, doi = {10.1021/acs.joc.8b01926}, author = {Shirsath, Sachin R. and Shinde, Ganesh H. and Shaikh, Aslam C. and Muthukrishnan, M.} } @article {45416, title = {Activation of HRI is mediated by Hsp90 during stress through modulation of the HRI-Hsp90 complex}, journal = {International Journal of Biological Macromolecules}, volume = {118}, year = {2018}, month = {OCT}, pages = {1604-1613}, type = {Article}, abstract = {Heme Regulated Inhibitor (HRI) is known to get activated in various stresses such as heme deficiency, heat shock, heavy metal toxicity etc. Heat shock protein 90 (Hsp90), a ubiquitous cytoplasmic protein interacts with HRI in order to regulate protein synthesis. However, it still remains to establish this interaction of HRI and Hsp90 at cellular levels and how this modulation of HRI activity is mediated by Hsp90 during stress. In the present report, using co-immunoprecipitation analysis we show that HRI interacts with Hsp90 and this association is independent of other co-chaperones in in vitro conditions. Further, analysis using truncated domains of HRI revealed that the K1 subdomain is essential for HRI - Hsp90 complex formation. Our in silico protein - protein interaction studies also indicated interaction of Hsp90 with K1 subdomain of HRI. Mammalian two hybrid assay validated this HRI - Hsp90 interaction at cellular levels. When the in vitro kinase assay was carried out with the co-immunoprecipitated complex of HRI - Hsp90, an increase in the kinase activity was observed resulting elevated levels of eIF2 alpha phosphorylation upon heavy metal stress and heat shock. Thus, our results clearly indicate modulation of HRI kinase activity with simultaneous Hsp90 association under stress conditions. (C) 2018 Elsevier B.V. All rights reserved.}, issn = { 0141-8130}, doi = {10.1016/j.ijbiomac.2018.06.204}, author = {Berwal, Sunil K. and Bhatia, Varsha and Bendre, Arneya and Suresh, C. G. and Chatterjee, Sangeeta and Pal, Jayanta K.} } @article {45350, title = {Alkaline earth metal compounds of methylpyridinato beta-diketiminate ligands and their catalytic application in hydroboration of aldehydes and ketones}, journal = {Organometallics }, volume = { 37}, year = {2018}, month = {DEC}, pages = {4576-4584}, type = {Article }, abstract = {

Ever increasing demand for green and sustainable chemical processes has set up a drive to replace transition metals with earth-abundant, nontoxic, and environmentally benign alternatives. In this regard, the alkaline earth metal complexes have attracted significant attention. Herein, we have used a beta-diketiminato ligand with methyl-pyridine side arm to synthesize magnesium (1) and calcium (2) compounds. The constitutions of 1 and 2 have been confirmed by single crystal X-ray studies, which show that the magnesium and calcium atom in 1 and 2 possesses octahedral geometry. Subsequently, we have used them as catalysts (1 mol \%) for hydroboration of a wide range of aldehydes using pinacolborane (HBpin) at room temperature. The strategy has further been extended to ketones with 2 mol \% catalyst loading. DFT calculations have been performed to understand the mechanism.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.8b00568}, author = {Yadav, Sandeep and Dixit, Ruchi and Bisai, Milan Kumar and Vanka, Kumar and Sen, Sakya S.} } @article {44419, title = {Aluminium oxide supported on SBA15 molecular sieves as potential lewis acid catalysts for epoxidering opening using aniline}, journal = {Catalysis Letters}, volume = {148}, year = {2018}, month = {MAY}, pages = {1407-1415}, abstract = {A series of aluminium oxide (Al2O3)-supported SBA-15 molecular sieves were prepared using a one-step wet-impregnation method. Powder X-ray diffraction, nitrogen adsorption/desorption, infrared spectroscopy and ammonia TPD were used to investigate the structures and chemical natures of the surface-bound species. The FT-IR studies of metal-impregnated SBA-15 materials revealed strong covalent interaction of Al2O3 on SBA-15 materials with strong Lewis acidic properties, evident from ammonia-TPD studies. The metal oxide-supported SBA-15 catalysts are active for epoxide ring opening with aniline at room temperature, and showed remarkably high stability and selectivity towards mono-alkylated products (about 86\%) viz., 1-(phenylamino)propan-2-ol and 2-(phenylamino)propan-1-ol. The catalytic activities remained intact after several recycles. The observed activities and selectivities were compared with other metal oxide-loaded SBA-15 catalysts obtained by similar preparation methods. Aluminium oxide supported SBA-15 molecular sieves were prepared using a one-step wet-impregnation method. The materials showed strong Lewis acidic sites and promising catalytic activity for epoxide ring opening with aniline at room temperature. }, doi = {10.1007/s10562-018-2366-8}, author = {Yadav, Rekha and Muralidhar, Akhila and Shamna, A. and Aghila, P. and Gurrala, Lakshmiprasad and Sakthivel, Ayyamperumal} } @article {45442, title = {Analyses of the internal transcribed rDNA spacers (ITS1 and ITS2) of Indian weevils of Odoiporus longicollis (Olivier) reveal gene flow between locations}, journal = {International Journal Of Tropical Insect Science}, volume = {38}, year = {2018}, month = {DEC}, pages = {313-329 }, type = {Article}, abstract = {An important step towards developing a successful integrated pest management (IPM) programme for the control of banana pseudostem weevil, Odoiporus longicollis (Olivier), a serious pest of banana in India, is the study of the population structure of the pest. In the present study, the genetic variation among 30 individual weevils of O. longicollis collected from six different locations was assessed by analysing the primary nucleotide sequences of the rDNA ITS1 and ITS2 regions. AMOVA, Mantel test, and the maximum likelihood trees of the haplotypes failed to reveal any phylogeographic structuring, which was confirmed by haplotype analysis and genetic differentiation estimates. The results indicate that the locations are not differentiated, i.e. there is gene flow between the locations. The star-shaped networks revealed a signature of demographic expansion that was confirmed by the different demographic tests. These results provide important information, which is essential for the development of suitable strategies for the control of this banana pest, as well as management of its resistance to insecticides.}, issn = {1742-7584}, doi = {10.1017/S1742758418000231}, author = {Kumar, Lalitha Sunil and Shankar, Pallavi and Kulkarni, Vishvas M.} } @article {44349, title = {Analysis of Kunitz inhibitors from plants for comprehensive structural and functional insights}, journal = {International Journal of Biological Macromolecules}, volume = {113}, year = {2018}, month = {JUL}, pages = {933-943}, type = {Article}, abstract = {Legume Kunitz type trypsin inhibitor (KTI) family is one of the most versatile families of proteins. A typical KTI features a single peptide folded in beta-trefoil manner, with the molecular weight about 20-22 kDa and two disulphide bonds. The members are known to inhibit a wide range of serpins proteases at the same time many of them possess unique features. Copaifera langsdoiffii Trypsin inhibitor (CTI) has a beta-trefoil fold made up of two non-covalently bound polypeptide chains with only a single disulfide bridge. Delonix regia Trypsin inhibitor (DrTI) has one amino acid insertion between P1 and P2 of the reactive site distorting its conformation. Bauhinia bauhinioides Cruzipain inhibitor (BbCI) has a conservative beta-trefoil fold but lacks disulfide bonds. Such subtle differences in structures make Kunitz inhibitors different from other inhibitor families. Most of the studies on these inhibitors are focused towards their proposed role in defense from insect pests and wounding but their exact physiological role in nature is still uncharted. Thus, it would be very interesting to closely analyze the structural details of these inhibitors in order to ascertain their biological role and other fascinating applications. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.ijbiomac.2018.02.148}, author = {Bendre, Ameya D. and Ramasamy, Sureshkumar and Suresh, C. G.} } @article {44424, title = {Antibacterial and anti-TB tat-peptidomimetics with improved efficacy and half-life}, journal = {European Journal of Medicinal Chemistry}, volume = {152}, year = {2018}, month = {MAY}, pages = {358-369}, abstract = {Non-natural antimicrobial peptides are ideal as next-generation antibiotics because of their ability to circumvent the problems of drug resistance and in vivo instability. We report novel all-alpha- and alpha,gamma-mixed Tat peptide analogues as potential antibacterial and anti-TB agents. These peptides have broad spectrum antibacterial activities against Gram-positive (MICs 0.61 +/- 0.03 to 1.35 +/- 0.21 mu M with the peptide gamma TatM4) and Gram-negative (MICs 0.71 +/- 0.005 to 1.26 +/- 0.02 M with gamma TatM4) bacteria and are also effective against active and dormant forms of Mycobacterium tuberculosis, including strains that are resistant to rifampicin and isoniazid. The introduction of the non-natural amino acids of the study in the Tat peptide analogues results in increased resistance to degradation by proteolysis, significantly increasing their half-life. The peptides appear to inhibit bacteria by a membrane disruption mechanism, and have only a low cytotoxic effect on mammalian cells. (C) 2018 Elsevier Masson SAS. All rights reserved.}, doi = {10.1016/j.ejmech.2018.04.039}, author = {Bhosle, Govind S. and Nawale, Laxman and Yeware, Amar M. and Sarkar, Dhiman and Fernandes, Moneesha} } @article {44613, title = {Assessing the possibilities of designing a unified multistep continuous flow synthesis platform}, journal = {Beilstein Journal of Organic Chemistry}, volume = {14}, year = {2018}, month = {JUL}, pages = {1917-1936}, abstract = {

The multistep flow synthesis of complex molecules has gained momentum over the last few years. A wide range of reaction types and conditions have been integrated seamlessly on a single platform including in-line separation as well as monitoring. Beyond merely getting considered as {\textquoteleft}flow version{\textquoteright} of conventional {\textquoteleft}one-pot synthesis{\textquoteright}, multistep flow synthesis has become the next generation tool for creating libraries of new molecules. Here we give a more {\textquoteleft}engineering{\textquoteright} look at the possibility of developing a {\textquoteleft}unified multistep flow synthesis platform{\textquoteright}. A detailed analysis of various scenarios is presented considering 4 different classes of drugs already reported in the literature. The possible complexities that an automated and controlled platform needs to handle are also discussed in detail. Three different design approaches are proposed: (i) one molecule at a time, (ii) many molecules at a time and (iii) cybernetic approach. Each approach would lead to the effortless integration of different synthesis stages and also at different synthesis scales. While one may expect such a platform to operate like a {\textquoteleft}driverless car{\textquoteright} or a {\textquoteleft}robo chemist{\textquoteright} or a {\textquoteleft}transformer{\textquoteright}, in reality, such an envisaged system would be much more complex than these examples.

}, keywords = {automation, continuous flow synthesis, cybernetics, multistep flow synthesis, unified platforms}, issn = {1860-5397}, doi = {10.3762/bjoc.14.166}, author = {Sharma, Mrityunjay K. and Acharya, Roopashri B. and Shukla, Chinmay A. and Kulkarni, Amol A.} } @article {44427, title = {Base-promoted heterogeneous reusable copper fluorapatite (CuFAP) catalyzed facile synthesis of 1,2-diarylethanols via C(sp3)-H functionalization of nitrotoluene}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = {JAN}, pages = {719-723}, abstract = {A novel, an efficient protocol has been developed for the facile synthesis of various 1,2-diarylethanol in good to excellent yields via C(sp3)-H functionalization of various nitrotoluenes with substituted aromatic, heterocyclic aldehydes/isatin. This is the first example in which base promoted heterogeneous, reusable copper fluorapatite (CuFAP) catalyzed C(sp3)-H functionalization of various nitrotoluenes was achieved under ligand-, additive- free reaction condition. The developed protocol is an environmentally benign approach, which replaces cumbersome protocols, avoids the use of costly precious metal catalysts, prefunctionalized substrates, and toxic reagents. The heterogeneous CuFAP catalyst was recovered by simple filtration and reused several times without the loss of its catalytic activity. The selective functional group transformation of 1,2-diaryethanol was accomplished.}, doi = {10.1002/slct.201702416}, author = {Shaikh, Taufeekaslam M. Y. and Mulla, Shafeek A. R.} } @article {44379, title = {Benzoin condensation: a kinetic monitoring at the oil-water interface}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAY}, pages = {4694-4698}, abstract = {The overall kinetics of condensation of benzaldehyde to benzoin has been discussed here with an aim to develop a better understanding of the change in reactivity of the interfacial reaction in the presence of co-solvents. A key aspect of the {\textquoteright}on water{\textquoteright} reaction is the chemistry between solvent and reactants that occur at the oil-water interface. In particular the orientation of water molecules at the interface plays a key role in catalyzing the reaction. An initial increase in the rate constants of reaction is observed, followed by sharp fall in the reaction kinetics. An interesting interplay of hydrophobicity, hydrogen bonding and polarity of the binary mixture is inevitable in the present study. The observations are nevertheless important reference point for future investigations of {\textquoteright}on water{\textquoteright} reactions.}, doi = {10.1002/slct.201703107}, author = {Singh, Anshu and Kumar, Anil} } @article {44204, title = {Beyond hydrofunctionalisation: a well-defined calcium compound catalysed mild and efficient carbonyl cyanosilylation}, journal = {Chemistry-A European Journal}, volume = {24}, year = {2018}, month = {JAN}, pages = {1269-1273}, type = {Article}, abstract = {

Organocalcium compounds have been reported as efficient catalysts for various transformations, for cases in which one of the substrates contained an E-H (E=B, N, Si, P) bond. Here, we look at the possibility of employing an organocalcium compound for a transformation in which none of the precursors has a polar E-H bond. This study demonstrates the utilization of a well-defined amidinatocalcium iodide, [PhC(NiPr)(2)CaI] (1) for cyanosilylation of a variety of aldehydes and ketones with Me3SiCN under ambient conditions without the need of any co-catalyst. The reaction mechanism involves a weak adduct formation between 1 and Me3SiCN leading to the activation of the Si-C bond, which subsequently undergoes sigma-bond metathesis with a C=O moiety. Such a mechanistic pathway is unprecedented in alkaline earth metal chemistry. Experimental and computational studies support the mechanism.

}, keywords = {Ca catalysis, carbonyls, cyanosilylation, Density functional calculations, transition-metal free}, issn = {0947-6539}, doi = {10.1002/chem.201705795}, author = {Yadav, Sandeep and Dixit, Ruchi and Vanka, Kumar and Sen, Sakya S.} } @article {45445, title = {Biomass-mediated synthesis of Cu-doped TiO2 nanoparticles for improved-performance lithium-ion batteries}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {OCT}, pages = {13676-13684}, type = {Article}, abstract = {

Pure TiO2 and Cu-doped TiO2 nanoparticles are synthesized by the biomediated green approach using the Bengal gram bean extract. The extract containing biomolecules acts as capping agent, which helps to control the size of nanoparticles and inhibit the agglomeration of particles. Copper is doped in TiO2 to enhance the electronic conductivity of TiO2 and its electrochemical performance. The Cu-doped TiO2 nanoparticle-based anode shows high specific capacitance, good cycling stability, and rate capability performance for its envisaged application in lithium-ion battery. Among pure TiO2, 3\% Cu-doped TiO2, and 7\% Cu-doped TiO2 anode, the latter shows the highest capacity of 250 mAh g(-1) (97.6\% capacity retention) after 100 cycles and more than 99\% of coulombic efficiency at 0.5 A g(-1) current density. The improved electrochemical performance in the 7\% Cu-doped TiO2 is attributed to the synergetic effect between copper and titania. The results reveal that Cu-doped TiO2 nanoparticles might be contributing to the enhanced electronic conductivity, providing an efficient pathway for fast electron transfer.

}, doi = {10.1021/acsomega.8b01903}, author = {Kashale, Anil A. and Dwivedi, Pravin K. and Sathe, Bhaskar R. and Shelke, Manjusha V. and Chang, Jia-Yaw and Ghule, Anil V.} } @article {45557, title = {BIOPYDB: a dynamic human cell specific biochemical pathway database with advanced computational analyses platform}, journal = {Journal of integrative bioinformatics}, volume = {15}, year = {2018}, month = {MAR }, type = {Article}, abstract = {BIOPYDB: BIOchemical PathwaY DataBase is developed as a manually curated, readily updatable, dynamic resource of human cell specific pathway information along with integrated computational platform to perform various pathway analyses. Presently, it comprises of 46 pathways, 3189 molecules, 5742 reactions and 6897 different types of diseases linked with pathway proteins, which are referred by 520 literatures and 17 other pathway databases. With its repertoire of biochemical pathway data, and computational tools for performing Topological, Logical and Dynamic analyses, BIOPYDB offers both the experimental and computational biologists to acquire a comprehensive understanding of signaling cascades in the cells. Automated pathway image reconstruction, cross referencing of pathway molecules and interactions with other databases and literature sources, complex search operations to extract information from other similar resources, integrated platform for pathway data sharing and computation, etc. are the novel and useful features included in this database to make it more acceptable and attractive to the users of pathway research communities. The RESTful API service is also made available to the advanced users and developers for accessing this database more conveniently through their own computer programmes.}, issn = {1613-4516}, doi = {10.1515/jib-2017-0072}, author = {Chowdhury, S. and Sinha, N. and Ganguli, P. and Bhowmick, R. and Singh, V. and Nandi, S. and Sarkar, R. R.} } @article {45468, title = { Bubble size prediction in gas-solid fluidized beds using genetic programming }, journal = {Current Science }, volume = {115}, year = {2018}, month = {NOV }, pages = {1904-1912}, type = {Article}, abstract = {The hydrodynamics of a gas-solid fluidized bed (FB) is affected by the bubble diameter, which in turn strongly influences the performance of a fluidized bed reactor (FBR). Thus, determining the bubble diameter accurately is of crucial importance in the design and operation of an FBR. Various equations are available for calculating the bubble diameter in an FBR. It has been found in this study that these models show a large variation while predicting the experimentally measured bubble diameters. Accordingly, the present study proposes a new equation for computing the bubble diameter in a fluidized bed. This equation has been developed using an efficient, yet infrequently employed computational intelligence (CI)-based data-driven modelling method termed genetic programming (GP). The prediction and generalization performance of the GP-based equation has been compared with that of a number of currently available equations for computing the bubble diameter in a fluidized bed and the results obtained show a good performance by the newly developed equation.}, issn = {0011-3891}, doi = {10.18520/cs/v115/i10/1904-1912}, author = {Sonolikar, R. R. and Patil, M. P. and Mankar, R. B. and Tambe, S. S. and Kulkarni, B. D.} } @article {44646, title = {Calixarene intercalated NiCo layered double hydroxide for enhanced oxygen evolution catalysis}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {6}, year = {2018}, month = {AUG}, pages = {9649-9660}, abstract = {

Water splitting provides a promising, sustainable way to resolve problems arising due to depleting fossil fuels. The success needs development of low-cost and high-performance electrode materials. The oxygen evolution reaction (OER) is a crucial reaction in water splitting. The combined Ni and Co oxide developed nanostructures having a small overpotential and fast kinetics of OER. They have drawn considerable attention, because of their theoretically high efficiency, high abundance, low cost, and environmental benignity in comparison with precious metal oxides, such as RuO2 and IrO2. However, the desired efficiency needs the developments of enhanced specific active area and conductivity. In the present communication, we address these issues. Specifically, exfoliation of layer double hydroxide (LDH) is applied to enhance the active surface area. The study reveals that intercalation by calixarene in NiCo LDH affords a multifunctional interlayer to deliver a large active surface area and fast electron transport toward the carbon nano-onion (CNO) support. It favorably lowers the overpotentials in OER (290 mV) and attains Tafel slope of 31 mV/decade. Enhanced conductivity is achieved using CNO as a support for the calixarene intercalated NiCo LDH. These developments offer a synergistic effect in achieving superior electrocatalytic activity for OER. This work gives insight into designing binder-free electrodes in alkaline media with good stability for advanced OER activity.

}, keywords = {Calixarene, electrocatalyst, Exfoliation, NiCo LDH, Oxygen Evolution Reaction}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.7b04788}, author = {Waghmode, Babasaheb J. and Gaikwad, Aarti P. and Rode, V, Chandrashekhar and Sathaye, Shivaram D. and Patil, Kashinath R. and Malkhede, Dipalee D.} } @article {44235, title = {Carbon fabric based solar steam generation for waste water treatment}, journal = {Solar Energy}, volume = {159}, year = {2018}, month = {JAN}, pages = {800-810}, type = {Article}, abstract = {

Decontamination of waste water is one of the most practical techniques to tackle the worldwide clean water shortage. In recent times, solar steam based decontamination of contaminated water has been attested as a potential sustainable strategy to get clean water using renewable resources. Herein, we report the utilization of Carbon fabric and Titanium Nanorods on Carbon Fabric for solar steam based water purification techniques. The performance of Carbon Fabric was tested under different conditions and the results proved that Carbon Fabric has excellent light to heat conversion capabilities in both real and ideal conditions. Owing to the excellent performance of Carbon Fabric, it was used for purification of different types of contaminated water. About 99.9\% of salt and 87\% of organic contaminants were removed from saline water and organic waste water respectively, using a simple low cost carbon fabric based homemade prototype. We also present the application of Titanium Nanorods on carbon fabric for the efficient removal of dye molecules like Rhodamine B from contaminated water using solar driven interfacial steam generation mechanism.

}, keywords = {Desalination, Dye degradation, Solar steam, Waste water treatment}, issn = {0038-092X}, doi = {10.1016/j.solener.2017.11.055}, author = {Higgins, M. W. and Rahmaan, Shakeel A. R. and Devarapalli, Rami Reddy and Shelke, Manjusha V. and Jha, Neetu} } @article {44638, title = {Cascade synthesis of 5-(Acetoxymethyl) furfural from carbohydrates over Sn-mont catalyst}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {AUG}, pages = {8770-8778}, abstract = {

The 5-(Acetoxymethyl)furfural (AcMF) is emerged as an important alternative for 5-(hydroxymethyl)furfural (HMF). It is also a starting material for those products which are typically prepared from HMF. The growing importance of AcMF encouraged us to prepare it directly from cheap and abundant carbohydrates. The production AcMF from glucose and glucose-like carbohydrates is an exigent assignment, owing to tough isomerisation of glucose to fructose. The Sn-Mont catalyst having a unique combination of Lewis as well as Bronsted acid sites was employed for direct glucose conversion into AcMF. Lewis acid sites of Sn-Mont facilitate the isomerisation of glucose to fructose. At the same time, dehydrative-esterification of fructose to AcMF is catalyzed by Bronsted acid sites of Sn-Mont. Different concentrations of Sn containing Sn-Mont catalysts were by prepared mixing montmorillonite clay with different molar concentration (e.g. 0.1 M-0.4 M) of aqueous solutions of SnCl4 center dot 5H(2)O. AcMF was produced in as high as 43\% yield directly from glucose over Sn-Mont(0.3 M) catalyst owing to its highest acid strength. The efficacy of Sn-Mont(0.3 M) catalyst was also probed for sucrose and fructose that resulted in 53\% and 58\% yield of AcMF, respectively. The critical properties of all the prepared Sn-Mont catalysts were investigated through XRD, BET surface area, ICP-OES, temperature-programmed desorption of NH3 and pyridine-FTIR and XPS techniques.

}, keywords = {5-(Acetoxymethyl)furfural, Bronsted/Lewis acid, carbohydrates, Dehydrative-esterification, Sn-Mont}, issn = {2365-6549}, doi = {10.1002/slct.201802040}, author = {Shinde, Suhas and Deval, Kashmira and Chikate, Rajeev and Rode, Chandrashekhar} } @article {43957, title = {Cascade synthesis of dihydrobenzofuran via claisen rearrangement of allyl aryl ethers using FeCl 3 /MCM-41 catalyst}, journal = {Journal of Saudi Chemical Society}, volume = {22}, year = {2018}, month = {MAY}, pages = {396-404}, type = {Article}, abstract = {

Dihydrobenzofuran as one of the active ingredients of the naturally occurring motif is synthesized by using in situ generation of ortho allyl phenols. Aryl allyl ethers on reacting with catalytic amounts of non noble metal iron (III) chloride supported on MCM-41 under moderate reaction conditions yield dihydrobenzofuran. First step via Claisen rearrangement gives ortho allyl phenol followed by its in situ cyclization to yield dihydrobenzofuran in very good yields. Both Lewis as well as Br{\o}nsted acidity of the catalyst as evidenced by Py-FTIR studies was found to catalyze the cascade synthesis of dihydrobenzofuran. The scope of the present strategy was successfully demonstrated for several substrates with varying electronic effects for the synthesis of corresponding dihydrobenzofuran with high yields in a range of 71-86\%.

}, keywords = {Aryl allyl ether, Claisen rearrangement, Dihydrobenzofuran, Ferric chloride, MCM-41}, issn = {1319-6103}, doi = {10.1016/j.jscs.2017.08.006}, author = {Sakate, Sachin S. and Shinde, Suhas H. and Kasar, Gayatri B. and Chikate, Rajeev C. and Rode, Chandrashekhar V.} } @article {45603, title = {Catalytic and efficient synthesis of optically active terminal epoxides and 1,2-diols using a new lanthanum triflate assisted C1-symmetric bimetallic chiral salen cobalt complex}, journal = {Letters in Organic Chemistry}, volume = {15 }, year = {2018}, pages = {960 - 966}, type = {Article}, abstract = {The catalytic asymmetric synthesis of terminal epoxides and 1,2-diols via a hydrolytic kinetic resolution of racemic terminal epoxides using a new bimetallic chiral salen CoIII complex incorporated with La(OTf)3 as a catalyst is reported. The new bimetallic chiral salen CoIII complex bearing La(OTf)3 was prepared in a one-pot procedure by activation and bimetallic complex formation from the inactive Jacobsen chiral salen CoII complex (salen = N, N'-bis(3,5-di-tert-butylsalicylidene)-1,2- cyclohexane-diamine). We observed that C1-symmetric chiral bimetallic Co-complex coordinated with La(OTf)3 works as a chiral catalyst and remarkably increased the reactivity and enantioselectivity in the hydrolytic kinetic resolution of terminal epoxides compared to its monometallic analogues. La(OTf)3 plays a crucial role as an achiral Lewis acid in this process, which is supported by the experimental observation presented. To explore the absolute configuration of glycidyl butyrate a vibrational circular dichroism (VCD) spectra was calculated using density functional theory.}, doi = {10.2174/1570178615666171212144938}, author = {Patel, D. and Thakur, S. S. and Shinde, S. S. and Kumar, P.} } @article {44374, title = {Catalytic enantioselective 1,3-alkyl shift in alkyl aryl ethers: efficient synthesis of optically active 3,3 {\textquoteright}-diaryloxindoles}, journal = {Angewandte Chemie-International Edition}, volume = {57}, year = {2018}, month = {MAY}, pages = {5735-5739}, abstract = {Reported is the first organocatalytic asymmetric 1,3-alkyl shift in alkyl aryl ethers for the synthesis of chiral 3,3{\textquoteright}-diaryloxindoles using a chiral Bronsted acid catalyst. Preliminary results showed that each enantiomer of the 3,3{\textquoteright}-diaryloxindole, and a racemic mixture, showed different antiproliferative activities against HeLa cell lines by using an MTT assay.}, doi = {10.1002/anie.201801650}, author = {Gade, Amol B. and Bagle, Pradip N. and Shinde, Popat S. and Bhardwaj, Vipin and Banerjee, Subhrashis and Chande, Ajit and Patil, Nitin T.} } @article {45415, title = {Chitosan-based bionanocomposites for biomedical application}, journal = { Bioinspired Biomimetic and Nanobiomaterials}, volume = {7}, year = {2018}, month = {DEC }, pages = {219-227}, type = {Article}, abstract = {Natural polymers have greatly impacted the advancement of modern medicine. Natural polymer-based biomaterials are biodegradable. A significant advantage of natural polymers is that they can be broken down and removed from the body after they have served their function. A wide range of novel biomaterials from natural polymers has been investigated to meet new challenges in medical science. Chitosan is one of the natural polymers which have been widely used in the biomedical field. Nanotechnology is one of the most popular areas of current research. In the area of nanotechnology, polymer and metal/metal oxide nanoparticle matrix-based nanocomposites have generated a significant amount of attention in the recent literature. These bionanocomposites have wide-ranging applications in drug delivery and tissue engineering. This paper discusses polymer-metal/metal oxide nanoparticle matrix-based nanocomposite biomaterials and their applications in the biomedical field - that is, drug delivery and tissue engineering applications.}, issn = {2045-9858}, doi = {10.1680/jbibn.15.00015}, author = {Kumari, Sangeeta and Singh, Raj Pal and Chavan, Nayaku N. and Annamalai, Pratheep K.} } @article {44651, title = {Cloning and characterization of trehalase: a conserved glycosidase from oriental midge, Chironomus ramosus}, journal = {3 Biotech}, volume = {8}, year = {2018}, month = {AUG}, pages = {352}, abstract = {

Insect trehalase is a multiferous enzyme, crucial for normal physiological functions as well as under stress conditions. In this report, we present a fundamental study of the trehalase gene segment (1587 bp) from Chironomus ramosus (CrTre) encoding for 529 amino acids, using appropriate bioinformatics tools. C. ramosus, a tropical midge is an emerging animal model to investigate the consequences of environmental stresses. We observed that CrTre belongs to GH family 37 in the CAZy database and possess 57-92\% identity to dipteran trehalases. In silico characterization provided information regarding the structural, functional and evolutionary aspects of midge trehalase. In the phylogenetic tree, CrTre clustered with the soluble dipteran trehalases. Moreover, domain functional characterization of the deduced protein sequence by InterProScan (IPR001661), ProSite (PS00927 and PS00928) and Pfam (PF01204) indicated presence of highly conserved signature motifs which are important for the identification of trehalase superfamily. Furthermore, the instability index of CrTre was predicted to be \< 40 suggesting its in vivo stability while, the high aliphatic index indicated towards its thermal stability (index value 71-81). The modelled 3D tertiary structure of CrTre depicts a (alpha/alpha)(6) barrel toroidal core. The catalytic domain of the enzyme comprised Glu424 and Asp226 as the putative active site residues. Interestingly, the conserved motifs were observed to be formed by the flexible loopy regions in the tertiary structure. This study revealed essential sequence features of the midge trehalase and offers better insights into the structural aspects of this enzyme which can be correlated with its function.

}, keywords = {Conserved motifs, Homology modelling, Midges, Secondary structure, trehalose}, issn = {2190-572X}, doi = {10.1007/s13205-018-1376-y}, author = {Shukla, Ekta and Thorat, Leena and Bendre, Ameya D. and Jadhav, Santosh and Pal, Jayanta K. and Nath, Bimalendu B. and Gaikwad, Sushama M.} } @article {44227, title = {Cobalt-catalyzed acceptorless dehydrogenative coupling of aminoalcohols with alcohols: direct access to pyrrole, pyridine and pyrazine derivatives}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {JAN}, pages = {90-93}, type = {Article}, abstract = {

Here, the first example is reported of a new, molecularly defined SNS-cobalt(II) catalyst for the acceptorless dehydrogenative coupling (ADC) of unprotected amino alcohols with secondary alcohols leading to pyrrole and pyridine derivatives.

}, issn = {1359-7345}, doi = {10.1039/c7cc07427a}, author = {Midya, Siba P. and Landge, Vinod G. and Sahoo, Manoj K. and Rana, Jagannath and Balaraman, Ekambaram} } @article {44432, title = {Co-gasification of high ash coal{\textendash}biomass blends in a fluidized bed gasifier: experimental study and computational intelligence-based modeling}, journal = {Waste and Biomass Valorization}, volume = {11}, year = {2018}, month = {JUN}, pages = {1-19}, type = {Article}, abstract = {Co-gasification (COG) is a clean-coal technology that uses a binary blend of coal and biomass for generating the product gas; it is environment-friendly since it emits lesser quantities of pollutants compared to the coal gasification process. Although coals found in many countries contain high percentages of ash, co-gasification studies involving such coals, and the process modeling thereof, are rare. Accordingly, this study presents results of the co-gasification experiments conducted in a fluidized-bed gasifier (FBG) pilot plant using as a feed the blends of high ash Indian coals with three biomasses, namely, rice husk, press mud, and sawdust. Since the underlying physicochemical phenomena are complex and nonlinear, modeling of the COG process has been performed using three computational intelligence (CI)-based methods namely, genetic programming, artificial neural networks, and support vector regression. Each of these formalisms was employed separately to develop models predicting four COG performance variables, namely, total gas yield, carbon conversion efficiency, heating value of product gas, and cold gas efficiency. All the CI-based models exhibit an excellent prediction accuracy and generalization performance. The co-gasification experiments and their modeling presented here for a pilot-plant FBG can be gainfully utilized in the efficient design and operation of the corresponding commercial scale co-gasifiers utilizing high ash coals.}, keywords = {Artificial neural networks, Co-gasification, Computational intelligence, Fluidized bed gasifier, genetic programming, support vector regression}, issn = {1877-2641}, doi = {10.1007/s12649-018-0378-7}, author = {Tiwary, Shishir and Ghugare, Suhas B. and Chavan, Prakash D. and Saha, Sujan and Datta, Sudipta and Sahu, Gajanan and Tambe, Sanjeev S.} } @article {44436, title = {Composite thin film of simultaneously formed carbon and SnO2 QDs for supercapacitance application}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {MAR}, pages = { 8823-8830}, type = {Article}, abstract = {Composite material with uniform size and structure is a critical asset that decides its properties like charge transfer, thermal, photoluminescence, mechanical, etc. and consequently the applications. Here for the first time, we report the concept of flame/combustion at liquid-liquid interface to synthesize in situ, thin film formation of composite consisting of two or more quantum dots. Synthesis of thin films of a composite containing C and SnO2 QDs having particle sizes below 3 nm was successfully done. As compared to a single quantum dots system, the formed composite showed significantly improved specific capacitance due to the synergistic effect arising from strong interaction between C and SnO2 QDs. This was confirmed by XPS, UV visible spectroscopy and photoluminescence spectra. Moreover, it was confirmed that even after 1000 charge/discharge cycles, the interaction between C and Sn remained unaltered; indicating significant stability of capacitance. Some of the advantages of this method include one step, eco-friendly process at ambient conditions. The generality of the method was established by synthesizing C-ZnO and C-TiO2 composite thin film. This new approach can be extended to form many other valuable composite thin films for various applications.}, issn = {1144-0546}, doi = {10.1039/C8NJ00375K}, author = {Jadhav, Aarti and Patil, Sagar and Patil, Kashinath Rangu and Sathaye, Shivaram Dattatray and Rode, Chandrashekhar Vasant} } @article {44437, title = {Comprehensive metabolic and transcriptomic profiling of various tissues provide insights for saponin biosynthesis in the medicinally important Asparagus racemosus}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {JUN}, pages = {Article Number: 9098}, abstract = {Asparagus racemosus (Shatavari), belongs to the family Asparagaceae and is known as a "curer of hundred diseases" since ancient time. This plant has been exploited as a food supplement to enhance immune system and regarded as a highly valued medicinal plant in Ayurvedic medicine system for the treatment of various ailments such as gastric ulcers, dyspepsia, cardiovascular diseases, neurodegenerative diseases, cancer, as a galactogogue and against several other diseases. In depth metabolic fingerprinting of various parts of the plant led to the identification of 13 monoterpenoids exclusively present in roots. LC-MS profiling led to the identification of a significant number of steroidal saponins (33). However, we have also identified 16 triterpene saponins for the first time in A. racemosus. In order to understand the molecular basis of biosynthesis of major components, transcriptome sequencing from three different tissues (root, leaf and fruit) was carried out. Functional annotation of A. racemosus transcriptome resulted in the identification of 153 transcripts involved in steroidal saponin biosynthesis, 45 transcripts in triterpene saponin biosynthesis, 44 transcripts in monoterpenoid biosynthesis and 79 transcripts in flavonoid biosynthesis. These findings will pave the way for better understanding of the molecular basis of steroidal saponin, triterpene saponin, monoterpenoids and flavonoid biosynthesis in A. racemosus.}, doi = {10.1038/s41598-018-27440-y}, author = {Srivastava, Prabhakar Lal and Shukla, Anurag and Kalunke, Raviraj M.} } @article {44222, title = {Conducting nanofibres of solvatofluorochromic cyclohexanetrione-dithiolylidene-based C-3 symmetric molecule}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {JAN}, pages = {212-215}, type = {Article}, abstract = {

We report a novel set of easily tailorable C-3 symmetric molecules with a pi-extended core and adorned with different thioalkyl groups, exhibiting solvatofluorochromic and amphoteric redox behaviour. The nearly planar core exhibits intermolecular face-to-face pi-stacking, S...S and intramolecular S...O interactions. Current-sensing atomic force microscopy studies revealed a high conductivity of similar to 0.15 mS cm(-1) in the undoped J-aggregate nanofibres of the thiopropyl appended gelator.

}, issn = {1359-7345}, doi = {10.1039/c7cc08741a}, author = {Shivakumar, K.I. and Goudappagouda. and Gonnade, Rajesh G. and Babu, Sukumaran Santhosh and Sanjayan, Gangadhar J.} } @article {44438, title = {Conformational studies of Ant-Pro motif-incorporated cyclic peptides: gramicidin S and avellanin}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN}, pages = {1197-1201}, abstract = {This paper reports conformational changes observed in cyclic bioactive peptides such as gramicidin S and avellanin upon incorporation of a pseudo-beta (C9) Ant-(D)Pro turn motif in their structural frameworks. Solution-state studies suggested that a synthetic gramicidin S analog exhibits a beta-sheet conformation with C9 and C17 intramolecular hydrogen bonding patterns, while its truncated analog disturbs the beta-sheet conformation. Structural details were obtained using a combination of CD studies, X-ray crystal structure studies and nOe-based MD simulation studies.}, doi = {10.1039/c7nj03701e}, author = {Kotmale, Amol S. and Sangtani, Ekta and Gonnade, Rajesh G. and Sarkar, Dhiman and Burade, Sachin and Rajamohanan, Pattuparambil R. and Sanjayan, Gangadhar J.} } @conference {45435, title = {Controlled release nanocomposite microcapsules for agricultural applications}, booktitle = {256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond}, year = {2018}, month = {AUG}, publisher = {American-Chemical-Society (ACS) }, organization = {American-Chemical-Society (ACS) }, address = {Boston, MA}, author = {Shanmuganathan, Kadhiravan and Shukla, Parshuram and Jagtap, Siddheshwar and Patil, Vishal and Sapre, Aditya} } @article {45462, title = {Controlled surface/interface structure and spin enabled superior properties and biocompatibility of cobalt ferrite nanoparticles}, journal = {Allied Surface Science }, volume = {459}, year = {2018}, month = {NOV}, pages = {788-801}, type = {Article }, abstract = {High quality, crystalline, well-dispersed, and stable magnetic oxide nanoparticles (NPs) of inverse spinel cobalt ferrite (CoFe2O4; CFO) were prepared by a facile, reproducible, and simple hydrothermal route. The transmission electron microscopy, small-angle scattering and X-ray diffraction analyses demonstrate the structural quality of CFO NPs with a controlled size of similar to 12 nm. Small-angle scattering experiments demonstrate that the pristine CFO NPs have the individual size similar to 8.5 nm and spherical shape. The Raman and infrared spectroscopic measurements further confirm their high chemical quality and cubic symmetry. CFO NPs exhibit a remarkable, maximum coercivity (H-c) value of 18.92 kOe, which is the highest value achieved to date. Surface spins and spins canting along with a weak dipolar interaction accounts for the giant H-c and large effective anisotropy (11.45 x 10(6) erg/cm(3)) of these CFO NPs. The magnetic grain size of NPs reveals that the canted surface spins exist around the magnetic particles. Reorientation of surface spins and interparticle interaction causes the jumping behaviour in M-H hysteresis loops at H = 0. The cell viability of CFO NPs against the cancer (cisplatin resistant ovarian cancer - A2780/CP70) was evaluated to determine their potential application in biomedicine and health science. The mild response of CFO NPs in terms of their anti-proliferative nature against cancer cells and negligible cytotoxicity suggests their human-safe-and-friendly nature which makes them suitable for biomedical/health-related applications. Assessment of toxicity toward human red blood cells (RBC) revealed that hemolysis is less than 5\% compared to the positive control confirming the potential applications of CFO NPs targeting human cells and making relevant for adopting them in biomedicine.}, issn = {0169-4332}, doi = { 10.1016/j.apsusc.2018.08.063}, author = {Ansari, Sumayya M. and Sinha, Bhavesh B. and Pai, Kalpana R. and Bhat, Suresh K. and Ma, Yuan-Ron and Sen, Debasis and Kolekar, Yesh D. and Ramana, C., V.} } @article {45421, title = {Convergent covalent organic framework thin sheets as flexible supercapacitor electrodes}, journal = {ACS Applied Material \& Interfaces}, volume = {10}, year = {2018}, month = {AUG}, pages = {28139-28146}, type = {Article}, abstract = {Flexible supercapacitors in modern electronic equipment require light-weight electrodes, which have a high surface area, precisely integrated redox moieties, and mechanically strong flexible free-standing nature. However, the incorporation of the aforementioned properties into a single electrode remains a great task. Herein, we could overcome these challenges by a facile and scalable synthesis of the convergent covalent organic framework (COF) free-standing flexible thin sheets through solid-state molecular baking strategy. Here, redox-active anthraquinone (Dq) and pi-electron-rich anthracene (Da) are judiciously selected as two different linkers in a beta-ketoenamine-linked two-dimensional (2D) COF. As a result of precisely integrated anthraquinone moieties, COF thin sheet exhibits redox activity. Meanwhile, pi-electron-rich anthracene linker assists to improve the mechanical property of the free-standing thin sheet through the enhancement of noncovalent interaction between crystallites. This binder-free strategy offers the togetherness of crystallinity and flexibility in 2D COF thin sheets. Also, the synthesized porous crystalline convergent COF thin sheets are benefited with crack-free uniform surface and light-weight nature. Further, to demonstrate the practical utility of the material as an electrode in energy-storage systems, we fabricated a solid-state symmetrical flexible COF supercapacitor device using a GRAFOIL peeled carbon tape as the current collector.}, doi = {10.1021/acsami.8b10486}, author = {Khayum, Abdul M. and Vijayakumar, Vidyanand and Karak, Suvendu and Kandambeth, Sharath and Bhadra, Mohitosh and Suresh, Karthika and Acharambath, Nikhil and Kurungot, Sreekumar and Banerjee, Rahul} } @article {44440, title = {Correlation of intermolecular acyl transfer reactivity with noncovalent lattice interactions in molecular crystals: toward prediction of reactivity of organic molecules in the solid state}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {APR}, pages = {3952-3959}, abstract = {Intermolecular acyl transfer reactivity in several molecular Acyl transfer reactivity can be predicted in solution based crystals was studied, and the outcome of the reactivity was analyzed in the light of structural information obtained from the crystals of the reactants. in solid state Minor changes in the molecular structure resulted in significant variations in the noncovalent interactions and packing of molecules in the crystal lattice, which drastically affected the facility of the intermolecular acyl transfer reactivity in these crystals. Analysis of the reactivity vs crystal structure data revealed dependence of the reactivity on electrophile ... nucleophile interactions and C-H center dot center dot center dot pi interactions between the reacting molecules. The presence of these noncovalent interactions augmented the acyl transfer reactivity, while their absence hindered the reactivity of the molecules in the crystal. The validity of these correlations allows the prediction of intermolecular acyl transfer reactivity in crystals and co-crystals of unknown reactivity. This crystal structure-reactivity correlation parallels the molecular structure-reactivity correlation in solution-state reactions, widely accepted as organic functional group transformations, and sets the stage for the development of a similar approach for reactions in the solid state.}, doi = {10.1021/acs.joc.8b00293}, author = {Krishnaswamy, Shobhana and Shashidhar, Mysore S.} } @article {44640, title = {Correlation trends in the magnetic hyperfine structure of atoms: a relativistic coupled-cluster case study}, journal = {Physical Review A}, volume = {98}, year = {2018}, month = {AUG}, type = {Article}, abstract = {

The role of electron correlation in the hyperfine structure of alkali metals and alkaline earth metal monopositive ions in their ground electronic configuration is investigated using the Z-vector method in a relativistic coupled-cluster regime within the singles and doubles approximation. The systematic effects of core-correlating functions, polarization of core electrons, and high-lying virtual functions on core electrons correlation are studied. The study reveals that the core-correlating function plays a significant role in core polarization and thus is very important for precise calculation of the wave function near the nuclear region. The inner-core electrons (1s-2p) require very high virtual energy functions for proper correlation. Therefore, the all-electron correlation treatment and the inclusion of higher-energy virtual functions are the key factors for precise calculation of the hyperfine structure constant of atoms. Our calculated values are in excellent agreement with the available experimental values, which also implies that the wave function produced by the Z-vector method is accurate enough for further calculation of the parity- and time-reversal symmetry-violating properties in atoms and molecules.

}, issn = {2469-9926}, doi = {10.1103/PhysRevA.98.022507}, author = {Talukdar, Kaushik and Sasmal, Sudip and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {44443, title = {Cross-metathesis of biorenewable dioxalates and diols to film-forming degradable polyoxalates}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {56}, year = {2018}, month = {JUL}, pages = {1584-1592}, abstract = {Starting from commonly available sugar derivatives, a single step protocol to access a small family of isohexide-dioxalates (2a-c) has been established. The synthetic competence of 2a-c has been demonstrated by subjecting them to condensation polymerization. Quite surprisingly, the proton NMR of poly(isomannide-co-hexane)oxalate revealed a 1:2 ratio between isomannide-dioxalate (2a) and 1,6-hexanediol (3a) in the polymer backbone. This intriguing reactivity was found to be an outcome of a cross metathesis reaction between 2a and 3a. The cross metathesis products 3a[2-(2-methoxyacetoxy)ethyl 2-(2-hydroxyethoxy)-2-(3-oxydanylidene)acetate] and 2a(3R,6R)-6-hydroxyhexahydrofuro[3,2-b]-furan-3-yl methyl oxalate were isolated in a control experiment. Based on direct and indirect evidence, and control experiments, an alternative polymerization mechanism is proposed. Polymerization conditions were optimized to obtain polyoxalates P1(2a-3a)-P9(2c-3c) with molecular weights in the range of 14,000-68,000 g/mol, and narrow polydispersities. The identity of the polyoxalates was unambiguously established using 1-2D NMR spectroscopy, MALDI-ToF-MS, and GPC measurements. The practical implication of these polymers is demonstrated by preparing transparent, mechanically robust films. The environmental footprint of the selected polyoxalates was investigated by subjecting them to solution and solid-state degradation. The polyoxalates were found to be amenable to degradation. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 1584-1592}, doi = {10.1002/pola.29043}, author = {Rajput, Bhausaheb S. and Ram, Farsa and Menon, Shamal K. and Shanmuganathan, Kadhiravan and Chikkali, Samir H.} } @article {45430, title = {CSGID solves structures and identifies phenotypes for five enzymes in toxoplasma gondii}, journal = {Frontiers in Cellular and Infection Microbiology}, volume = {8}, year = {2018}, month = {OCT}, type = {Article}, abstract = {

Toxoplasma gondii, an Apicomplexan parasite, causes significant morbidity and mortality, including severe disease in immunocompromised hosts and devastating congenital disease, with no effective treatment for the bradyzoite stage. To address this, we used the Tropical Disease Research database, crystallography, molecular modeling, and antisense to identify and characterize a range of potential therapeutic targets for toxoplasmosis. Phosphoglycerate mutase II (PGMII), nucleoside diphosphate kinase (NDK), ribulose phosphate 3-epimerase (RPE), ribose-5-phosphate isomerase (RPI), and ornithine aminotransferase (OAT) were structurally characterized. Crystallography revealed insights into the overall structure, protein oligomeric states and molecular details of active sites important for ligand recognition. Literature and molecular modeling suggested potential inhibitors and druggability. The targets were further studied with vivoPMO to interrupt enzyme synthesis, identifying the targets as potentially important to parasitic replication and, therefore, of therapeutic interest. Targeted vivoPMO resulted in statistically significant perturbation of parasite replication without concomitant host cell toxicity, consistent with a previous CRISPR/Cas9 screen showing PGM, RPE, and RPI contribute to parasite fitness. PGM, RPE, and RPI have the greatest promise for affecting replication in tachyzoites. These targets are shared between other medically important parasites and may have wider therapeutic potential.

}, issn = { 2235-2988}, doi = {10.3389/fcimb.2018.00352}, author = {Lykins, Joseph D. and Filippova, Ekaterina V and Halavaty, Andrei S. and Minasov, George and Zhou, Ying and Dubrovska, Ievgeniia and Flores, Kristin J. and Shuvalova, Ludmilla A. and Ruan, Jiapeng and El Bissati, Kamal and Dovgin, Sarah and Roberts, Craig W. and Woods, Stuart and Moulton, Jon D. and Moulton, Hong and Mcphillie, Martin J. and Muench, Stephen P. and Fishwick, Colin W. G. and Sabini, Elisabetta and Shanmugam, Dhanasekaran and Roos, David S. and Mcleod, Rima and Anderson, Wayne F. and Ngo, Huan M.} } @article {44444, title = {Curcumin: pharmaceutical solids as a platform to improve solubility and bioavailability}, journal = {Crystengcomm}, volume = {20}, year = {2018}, month = {JUN}, pages = {3277-3296}, abstract = {Curcumin (CUR) is the prime curcuminoid in the Indian dietary spice turmeric, Curcuma longa, a plant of the Zingiberaceae family. CUR has promising and diverse therapeutic benefits, such as antioxidant, anti-inflammatory, antitumor, anti-hyperglycemic, antimalarial, antibacterial, and antiviral activity, including anti-Alzheimer{\textquoteright}s disease. However, CUR is yet to reach the status of a therapeutic drug candidate mainly because a standard solid dosage of curcumin suffers from poor oral bioavailability (0.05 g mL(-1), less than 1\%). The reasons behind its low bioavailability include poor solubility (<8 g mL(-1) in water), low permeability and absorption, and rapid metabolism (short elimination half-life of <2 h). A successful CUR therapy requires an appropriate formulation system that will enhance the bioavailability and offer greater therapeutic efficacy. This review covers a comprehensive description of the CUR pharmaceutical solids, such as polymorphs, cocrystals, eutectics, and coamorphous solid-state forms with aim to determine ways to improve its physicochemical properties, including dissolution rate, solubility, physicochemical stability, mechanical strength, compressibility for tablet formation, and oral bioavailability. The cumulative publications in the past decade have forecast a bright future for development of an oral drug formulation of curcumin.}, doi = {10.1039/c8ce00469b}, author = {Suresh, Kuthuru and Nangia, Ashwini} } @article {44445, title = {Curcumin-artemisinin coamorphous solid: Xenograft model preclinical study}, journal = {Pharmaceutics}, volume = {10}, year = {2018}, month = {MAR}, pages = {Article Number: 7}, abstract = {Curcumin is a natural compound present in Indian spice turmeric. It has diverse pharmacological action but low oral solubility and bioavailability continue to limit its use as a drug. With the aim of improving the bioavailability of Curcumin (CUR), we evaluated Curcumin-Pyrogallol (CUR-PYR) cocrystal and Curcumin-Artemisinin (CUR-ART) coamorphous solid. Both of these solid forms exhibited superior dissolution and pharmacokinetic behavior compared to pure CUR, which is practically insoluble in water. CUR-ART coamorphous solid showed two fold higher bioavailability than CUR-PYR cocrystal (at 200 mg/kg oral dose). Moreover, in simulated gastric and intestinal fluids (SGF and SIF), CUR-ART is stable up to 3 and 12 h, respectively. In addition, CUR-PYR and CUR-ART showed no adverse effects in toxicology studies (10 times higher dose at 2000 mg/kg). CUR-ART showed higher therapeutic effect and inhibited approximately 62\% of tumor growth at 100 mg/kg oral dosage of CUR in xenograft models, which is equal to the positive control drug, doxorubicin (2 mg/kg) by i.v. administration.}, doi = {10.3390/pharmaceutics10010007}, author = {Mannava, M. K. Chaitanya and Suresh, Kuthuru and Bommaka, Manish Kumar and Konga, Durga Bhavani and Nangia, Ashwini} } @article {45465, title = { Cyclometallation of a germylene ligand by concerted metalation-deprotonation of a methyl group }, journal = {Dalton Transactions }, volume = {47}, year = {2018}, month = { NOV}, pages = { 15835-15844}, type = {Article }, abstract = {The reaction of [CH{(CMe)(2,6-iPr(2)C(6)H(3)N)}(2)]GeCl with LiN(SiMe3)(2) was previously reported, which led to the formation of a hetero-fulvene type germylene, [CH{(CMe)(C?CH2)(2,6-iPr(2)C(6)H(3)N)}(2)]Ge through the deprotonation of the C-H bond from the methyl substituents. In this paper, we attempted the analogous reaction with (Dipp)NCMeCHCOMeGeCl using LiN(SiMe3)(2) which gave rise to a metathesis product, (Dipp)NCMeCHCOMeGeN(SiMe3)(2) (2). However, the reactions of 2 with [M2Cl2(-Cl)(2)((5)-Cp*)(2)] (M = Rh and Ir) resulted in cyclometallated Rh and Ir complexes through the activation of the C-H bond from the germylene ligand. The complexes were characterized by single crystal X-ray analysis, which authenticated the presence of Ge-Rh and Ge-Ir bonds. DFT studies have been performed to understand the mechanism.}, issn = {1477-9226}, doi = { 10.1039/c8dt03166e}, author = {Bakthavachalam, K. and Dutta, Sayan and Arivazhagan, C. and Raghavendra, Beesam and Haridas, Anagha and Sen, Sakya S. and Koley, Debasis and Ghosh, Sundargopal} } @article {44211, title = {Deposition of Au nanoparticles inside porous CeO2 nanocubes using Langmuir-Blodgett technique}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN }, pages = {1379-1386}, type = {Article}, abstract = {

Porous 3D CeO2 nanocubes were synthesized using hot injection technique. These nanocubes were able to form a stable monolayer over water and HAuCl4 subphase in Langmuir-Blodgett (LB) trough due to the presence of surface capped oleic acid and oleylamine. CeO2-Au nanocomposites were synthesized exploiting the ability of oleylamine to reduce AuCl4 ions to Au-0, via LB method. CeO2 nanocubes gave rise to excellent long-range assembly at air/water interface and gold nanoparticles were formed inside these porous nanocubes without disturbing this arrangement. The formation of a stable monolayer was evidenced from the surface pressure-area (P-A) isotherm. The development of Au nanoparticles was confirmed with great effort from a comprehensive study using UV-Vis spectroscopy, XRD, XPS, FTIR, TEM, STEM, EDX, tomography and chemical mapping.

}, issn = {1144-0546}, doi = {10.1039/c7nj03948d}, author = {Das, Subhasis and Bhattacharjee, Gourab and Satpati, Biswarup and Kumar, Mukesh and Deka, Sasanka and Ghosalya, Manoj Kumar and Gopinath, Chinnakonda S. and Bala, Tanushree} } @article {44451, title = {Design and synthesis of 2-amino-thiophene-tethered ureidopenicillin analogs with potentantibacterial and antitubercular activity}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAR}, pages = {3122-3126}, abstract = {Ureidopenicillins are a class of penicillins which are antibiotics active against gram-negative bacteria. Herein, we report the synthesis of 2-aminothiophene-tethered ureidopenicillin analogues and their in vitro antibacterial and antitubercular activity. Intriguingly, unlike the reported ureidopenicillins which are active against gram-negative bacteria, the synthesised 2-aminothiophene-tethered ureidopenicillins were significantly active against Gram-positive bacterial strains and showed moderate inhibition towards gram-negative bacterial strains. Among all the analogs, compound 1b containing 2-aminothiophene moiety with minimum inhibitory concentration (MIC): 0.29, 0.32, > 10, > 10 mg/ml for Staphylococcus aureus, Bacillus subtilis, Escherichia coli and Pseudomonas aeruginosa, respectively, showed better anti-bacterial profile as compared to cephalexin and equipotent to ampicillin and amoxicillin on gram-positive bacterial strains. All the derivatives were also screened for anti-TB activity against mycobacterium tuberculosis H37Ra. Among the series, cycloocta-thiophene-tethered cephalexin analog 3c displayed excellent antitubercular activity with MIC values 0.78 mg/ml. Low cytotoxicity and high selectivity index indicate the efficacy of 3c against mycobacterial infections. The results from present study offer a novel approach to modify the existing drug class of ureidopenicillins to yield antimicrobials with promising utility.}, doi = {10.1002/slct.201800027}, author = {Wagh, Mahendra A. and Baravkar, Sachin B. and Jedhe, Ganesh S. and Borkute, Rachna and Choudhari, Amit S. and Sarkar, Dhiman and Sanjayan, Gangadhar J.} } @article {45359, title = {Design, synthesis and biological screening of novel 1,3,4-oxadiazoles as antitubercular agents}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = { DEC}, pages = { 13304-13310}, type = {Article}, abstract = {A series of novel 2,5-disubstitued 1,3,4-oxadiazole derivatives bearing 2,2-dimethyl-2,3-dihydrobenzofuran scaffold has been synthesized and screened for antitubercular activity. All the synthesized compounds were characterized by IR, H-1 NMR, C-13-NMR and Mass spectral study. The in vitro antitubercular activity of the synthesized compounds was evaluated against Mycobacterium tuberculosis H37Ra(ATCC 25177) strain. Among the synthesized compounds, four compound displayed good antitubercular activity IC50 values in low micro-gram range (<10 mu g/mL). The antitubercular data suggested that growth inhibition MTB can be imparted by the introduction of a 4- trifluoromethyl phenyl acetylene substituent. Specificity of these compounds was checked by screening them for their anti-bacterial activity against four bacterial strains (Gram-negative strains: E. coli, S. aureus; Gram-positive strains: P. aeruginosa and B. subtilis). None of the compound displayed antibacterial activity against any of the seleted strain. Molecular docking studies were carried out on InhA (FabI/ENR) which shows that the synthesized compounds bind at the catalytic site in a most favourable manner suggesting their potential as anti-mycobacterial agents. The research presented here was found to be adventitious for the development of new therapeutic agents against Mycobacterium infection.}, issn = { 2365-6549}, doi = {10.1002/slct.201802227}, author = {Tambe, Macchindra S. and Choudhari, Amit and Sarkar, Dhiman and Sangshetti, Jaiprakash and Patil, Rajesh and Gholap, Somnath S.} } @article {44584, title = {Design, synthesis, and gas permeation properties of polyimides containing pendent imidazolium groups}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {56}, year = {2018}, month = {AUG}, pages = {1721-1729}, abstract = {Film-forming polymers containing ionic groups have attracted considerable attention as emerging materials for gas separation applications. The aim of this article was to synthesize new film-forming polyimides containing imidazolium groups (PI-IMs) and establish their structure-performance relationship. In this context, a new aromatic diamine, namely, N-1-(4-aminophenyl)-N-1-(4-(2-phenyl-1H-imidazol-1-yl)phenyl)benzene-1,4-diamine (ImTPADA), was synthesized and polycondensed with three aromatic dianhydrides, namely, 4,4-(hexafluoroisopropylidene)diphthalic anhydride, 4,4-(4,4-isopropylidenediphenoxy) bis(phthalic anhydride), and 4,4-oxydiphthalic anhydride to form the corresponding polyimides containing pendent 2-phenylimidazole groups (PI-IEs). Next, PI-IMs were prepared by N-quaternization of pendent 2-phenylimidazole groups present in PI-6FDA using methyl iodide followed by anion exchange with bis(trifluoromethane)sulfonimide lithium salt (LiTf2N). PI-IEs and PI-IMs exhibited reasonably high molecular weights, amorphous nature, good solubility, and could be cast into self-standing films from their DMAc solutions. Thermogravimetric analysis showed that 10\% weight loss temperature of PI-IEs and PI-IMs were in the range 545-475 degrees C and 303-306 degrees C, respectively. Gas permeability analysis of films of PI-IEs and PI-IMs was investigated by variable-volume method and it was observed that incorporation of ionic groups into PI-6FDA resulted in increased permeability while maintaining selectivity. In particular, polymer bearing Tf2N- anion exhibited high CO2 permeability (33.3 Barr) and high selectivity for CO2/CH4 (41.1) and CO2/N-2 (35.4). (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 1721-1729}, doi = {10.1002/pola.29053}, author = {Shrimant, Bharat and Kharul, Ulhas K. and Wadgaonkar, Prakash P.} } @article {44195, title = {Design, synthesis, and pharmacological evaluation of fluorinated azoles as anti-tubercular agents}, journal = {Archiv Der Pharmazie}, volume = {351}, year = {2018}, month = {FEB}, pages = {e1700294}, type = {Article}, abstract = {

Design, synthesis, and biological screening of 2,2-dimethyl-2,3-dihydrobenzofuran tethered 1,3,4-oxadiazole derivatives as anti-tubercular agents were described. The synthesis of the target compounds was conducted by a series of reaction schemes. All the synthesized compounds were characterized by IR, H-1 NMR, C-13 NMR, and mass spectrometry. The therapeutic potential of the synthesized compounds was confirmed by molecular docking studies. Among the synthesized compounds, 12a, 12c, 12d, 12e, 12g, and 12j were found to be more active against non-replicating than against replicating cultures of Mycobacterium tuberculosis H37Ra ex vivo and in vitro. These compounds exhibit minimum inhibitory concentration (MIC) values in the range of 2.31-23.91g/mL. The cytotoxicity study was conducted against the cell lines THP-1, A549 and PANC-1, and the compounds were observed to be non-toxic to host cells. Molecular docking was conducted with InhA (FabI/ENR) and suggested the antimycobacterial potential of the synthesized compounds. The investigation presented here was found to be adventitious for the development of new therapeutic agents against Mycobacterium infection.

}, keywords = {1, 2, 2-dimethyl-2, 3, 3-dihydrobenzofuran, 4-Oxadiazole, anti-tubercular agents, Cytotoxicity, Molecular docking}, issn = {0365-6233}, doi = {10.1002/ardp.201700294}, author = {Gholap, Somnath and Tambe, Macchindra and Nawale, Laxman and Sarkar, Dhiman and Sangshetti, Jaiprakash and Damale, Manoj} } @article {45390, title = {Design, synthesis, docking studies and biological screening of 2-thiazolyl substituted-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazines as potent HIV-1 reverse transcriptase inhibitors}, journal = {European Journal of Medicinal Chemistry}, volume = {157}, year = {2018}, month = {SEP}, pages = {310-319}, type = {Article}, abstract = {1,3-oxazine nucleus and thiazolyl group features prominently in many biologically important natural products as well as bioactive molecules. A series of novel 2-thiazolyl substituted-2,3-dihydro-1H-naphtho [1,2-e][1,3]oxazine derivatives were designed and synthesized based on their structure-activity relationships (SARs) from 2-naphthol, substituted thiazolyl amines and formalin through ring closure by one-pot three component reaction. These derivatives were first evaluated for their inhibitory effect on HIV-1 Reverse Transcriptase (RT) enzyme activity. Out of 14 compounds, 4 showed potent inhibition of HIV-1 RT activity at significantly low concentration. Docking studies of these molecules revealed their high affinity binding to several amino acids of HIV-1 RT which are less sensitive to point mutations. Furthermore, anti-HIV activity of these molecules was analysed in a CD4(+) T cell-line, which indicates that Therapeutic Index (TI) of some of these compounds is better than Zidovudine and Efavirenz, known HIV-1 RT inhibitors. Taken together, our studies report for the first time some novel naphthoxazine derivatives with significant TI, which is through inhibition of HIV-1 RT activity. (C) 2018 Elsevier Masson SAS. All rights reserved.}, doi = {10.1016/j.ejmech.2018.07.067}, author = {Gawali, Rakhi and Trivedi, Jay and Bhansali, Sujit and Bhosale, Raghunath and Sarkar, Dhiman and Mitra, Debashis} } @article {44386, title = {Disintegrable NIR light triggered gold nanorods supported liposomal nanohybrids for cancer theranostics}, journal = {Bioconjugate Chemistry}, volume = {29}, year = {2018}, month = {MAY}, pages = {1510-1518}, abstract = {In this work, facile synthesis and application of targeted, dual therapeutic gold nanorods-liposome (GNR-Lipos) nanohybrid for imaging guided photothermal therapy and chemotherapy is investigated. The dual therapeutic GNR-Lipos nanohybrid consists of GNR supported, and doxorubicin (DOX) loaded liposome. GNRs not only serve as a photothermal agent and increase the drug release in intracellular environment of cancer cells, but also provide mechanical strength to liposomes by being decorated both inside and outside of bilayer surfaces. The designed nanohybrid shows a remarkable response for synergistic chemophotothermal therapy compared to only chemotherapy or photothermal therapy. The NIR response, efficient uptake by the cells, disintegration of GNR-Lipos nanohybrid, and synergistic therapeutic effect of photothermal and chemotherapy over breast cancer cells MDA-MB-231 are studied for the better development of a biocompatible nanomaterial based multifunctional cancer theranostic agent.}, doi = {10.1021/acs.bioconjchem.7b00801}, author = {Chauhan, Deepak S. and Prasad, Rajendra and Devrukhkar, Janhavi and Selvaraj, Kaliaperumal and Srivastava, Rohit} } @article {44647, title = {Dynamics of loops at the substrate entry channel determine the specificity of iridoid synthases}, journal = {Febs Letters}, volume = {592}, year = {2018}, month = {AUG}, pages = {2624-2635}, abstract = {

Iridoid synthases belong to the family of short-chain dehydrogenase reductase involved in the biosynthesis of iridoids. Despite having high sequence and structural homology with progesterone 5 beta- reductase, these enzymes exhibit differential substrate specificities. Previously, two loops. L1 and L2 at substrate-binding pocket, were suggested to be involved in generating substrate specificity. However, the structural basis of specificity determinants was elusive. Here, combining sequence and structural analysis, site-directed mutagenesis, and molecular dynamics simulations, we have shown that iridoid synthase contains two channels for substrate entry whose geometries are altered by L1-L2 dynamics, primarily orchestrated by interactions of residues Glu161 and Gly162 of L1 and Asn358 of L2. A complex interplay of these interactions confer the substrate specificity to the enzyme.

}, keywords = {iridoid synthase, iridoids, Molecular dynamics simulations, progesterone 5 beta-reductase, Substrate specificity}, issn = {1873-3468}, doi = {10.1002/1873-3468.13174}, author = {Sandholu, Anand S. and Mohole, Madhura and Duax, William L. and Thulasiram, Hirekodathakallu V. and Sengupta, Durba and Kulkarni, Kiran} } @article {44458, title = {Easily accessible lithium compound catalyzed mild and facile hydroboration and cyanosilylation of aldehydes and ketones}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {APR}, abstract = {Simple and readily accessible lithium compounds such as 2,6-ditertbutyl phenolate lithium (1a), 1,1{\textquoteright} dilithioferrocene (1b) and nacnac lithium (1c) are found to be efficient single site catalysts for hydroboration of...}, doi = {10.1039/C8CC02314J}, author = {Bisai, Milan and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {44189, title = {Effect of alkali and alkaline earth metal on Co/CeO2 catalyst for the water gas shift reaction of waste derived synthesis gas}, journal = {Applied Catalysis A-General}, volume = {551}, year = {2018}, month = {FEB }, pages = {63-70}, type = {Article}, abstract = {

We prepared a series of alkali (Na and K) and alkaline earth metal (Ca and Ba) promoted Co/CeO2 catalysts to investigate the effect of the promoter on the catalytic performance of the catalyst in the high-temperature water gas shift (WGS) reaction of waste derived synthesis gas. Interestingly, alkali metal promoted catalysts deactivated rapidly compared to alkaline earth metal promoted catalysts. Alkaline earth metal promoted catalysts showed relatively higher stability (\>50 h) even at a very high gas hourly space velocity of 143,000 h(-1). X-ray diffraction (XRD) and transmission electron microscopy (TEM) results reveal that the higher stability of the alkaline earth metal promoted catalysts was due to the strong resistance to sintering, showing a relatively small crystallite size of metallic cobalt compared to the alkali metal promoted catalysts after WGS reaction.

}, keywords = {Alkaline earth metal, Co/CeO2, High temperature water-gas shift, Sintering resistance, stability, Waste derived synthesis gas}, issn = {0926-860X}, doi = {10.1016/j.apcata.2017.12.009}, author = {Lee, Yeol-Lim and Jha, Ajay and Jang, Won-Jun and Shim, Jae-Oh and Rode, Chandrashekhar V. and Jeon, Byong-Hun and Bae, Jong Wook and Roh, Hyun-Seog} } @article {44459, title = {Effect of crystal packing on the thermosalient effect of the pincer-type diester naphthalene-2,3-diyl-bis(4-fluorobenzoate): a new class II thermosalient solid}, journal = {Chemistry-A European Journal}, volume = {24}, year = {2018}, month = {MAR}, pages = {4133-4139}, abstract = {The pincer-like double ester naphthalene-2,3-diyl-bis(4-fluorobenzoate) (2) is pentamorphic. Upon heating crystals of form I to below their melting point (441-443 K), they undergo a phase transition accompanied by a thermosalient effect, that is, rare and visually striking motility whereby the crystals jump or disintegrate. The phase transition and the thermosalient effect are reversible. Analysis of the crystal structure revealed that form I is a class II thermosalient solid. Crystals of form III also underwent a reversible phase transition in the temperature range of 160 to 170 K; however, they were not thermosalient. Comparison of the structures and the mechanical responses of the two polymorphs revealed that the thermosalient effect of form I was due to reversible closing and opening of the arms of the diester molecules in a tweezer-like action.}, doi = {10.1002/chem.201705586}, author = {Tamboli, Majid I. and Karothu, Durga Prasad and Shashidhar, Mysore S. and Gonnade, Rajesh G. and Naumov, Pance} } @article {44602, title = {Effect of hyperglycemic conditions on the early self-assembly of the alzheimer{\textquoteright}s amyloid beta peptide: implications for neurotoxicity}, journal = {Biophysical Journal}, volume = {114}, year = {2018}, month = {FEB }, pages = {227A}, type = {Meeting Abstract}, issn = {0006-3495}, author = {Menon, Sneha and Sengupta, Neelanjana} } @article {44460, title = {Effect of membrane composition on receptor association: implications of cancer lipidomics on ErbB receptors}, journal = {Journal of Membrane Biology}, volume = {251}, year = {2018}, month = {JAN}, pages = {359-368}, type = {Article}, abstract = {

The association of single transmembrane receptors, such as the ErbB receptors is a key event in initiating cell signaling networks. The interactions between these receptors have been well characterized for both ligand-driven and pre-formed dimers. However, the role of the membrane in modulating association is less well understood and assumes greater importance in light of altered membrane composition in diseased states. Here, we discuss how membrane composition has been observed to induce both structural and dynamic differences in receptor association. Computational studies, especially those using coarse-grain simulations have been successful in predicting the role of the membrane and calculating the related free energy landscapes. Membrane perturbations and differences in lipid chain order, related to the lipophobic effect, have been shown to play a large role in driving membrane protein association. Further, we review lipid compositions reported in diseased conditions and its effect on transmembrane receptor association, focusing on the ErbB growth factor receptor dimers in cancer. Understanding the role of the membrane in receptor association will provide general design principles driving receptor organization, as well as help to identify novel therapeutic strategies.

}, doi = {10.1007/s00232-018-0015-1}, author = {Pawar, Aiswarya and Sengupta, Durba} } @article {44393, title = {Effect of structural properties of organosolv lignins isolated from different rice husks on their liquefaction using acidic ionic liquids}, journal = {Clean Technologies and Environmental Policy}, volume = {20}, year = {2018}, month = {MAY}, pages = {739-750}, abstract = {Lignin is the only naturally available sustainable resource of aromatic compound on the Earth. Depending on the properties of lignin and the reaction conditions employed for the liquefaction, it is observed that the product distribution alters. Since ionic liquids (ILs) are considered as green and have tuneable properties, in the current work, imidazolium-based acidic ILs were employed to liquefy organosolv lignins derived from different varieties of rice husks. When liquefaction was carried out at 120 A degrees C for 1 h 36\% yield for EtOAc- and DEE-soluble products with high mass balance (97 +/- 3\%) was observed. The detailed characterisations of lignins and organic solvent-soluble products were done by variety of techniques [GC-MS, FT-IR, UV-Vis, 2D (HSQC) NMR], and based on this, the correlation between activity and properties of catalyst and lignin was established. Depolymerisation of organosolv lignin (derived from three rice husks) into aromatic product was done, and experimental correlation studies were performed in both. }, doi = {10.1007/s10098-017-1435-9}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {44335, title = {Effect of titration time on the catalytic performance of Cu/CeO2 catalysts for water-gas shift reaction}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {83-88}, type = {Article}, abstract = {We herein report the preparation of ceria (CeO2) via a simple precipitation method for use as a catalyst support in the water-gas shift (WGS) reaction. More specifically, we optimized the titration time required to obtain highly active CeO2-supported catalysts for the WGS reaction. As such, Cu was employed as the active metal coupled with the CeO2 support. Notably, the CeO2-0 supported Cu catalyst (where the precipitant was immediately injected into a cerium nitrate solution) exhibited the highest CO conversion at a gas hourly space velocity of 36,050 h(-1). This high catalytic activity of the Cu/CeO2-0 catalyst was mainly due to its high Brunauer-Emmett-Teller (BET) surface area, enhanced Cu dispersion, high number of oxygen vacancies, and enhanced reducibility.}, issn = {09205861}, doi = {10.1016/j.cattod.2017.10.007}, author = {Na, Hyun-Suk and Shim, Jae-Oh and Jang, Won-Jun and Jeon, Kyung-Won and Kim, Hak-Min and Lee, Yeol-Lim and Lee, Da-We and Yoo, Seong-Yeun and Bae, Jong Wook and Rode, Chandrashekhar V. and Roh, Hyun-Seog} } @article {45432, title = {Effect of turbulent dispersion on hydrodynamic characteristics in a liquid jet ejector}, journal = {Energy}, volume = {164}, year = {2018}, month = {DEC}, pages = {10-20}, type = {Article}, abstract = {Gas induction using a liquid jet is an extensively studied phenomenon. Many studies have been published detailing various hydrodynamic and mass transport aspects of gas induction in ejectors. Conversely, multiple studies have been published detailing jet dynamics, jet break up, nozzle geometry, effects of turbulence etc. In the modelling of the jet ejector systems CFD framework is used as the flow of gas is coupled with the liquid flow and the flow parameters like volume fraction, pressure drop/profile and velocity profiles both local and average are highly interdependent. Hence, it becomes important to capture all the flow physics in the simulations in order to understand the hydrodynamics. In the previous models the effect of turbulent dispersion was not included which led to incorrect calculation of phase profile, and other related parametric values. In the present work, the turbulence effects and its impact on the jet dynamics and gas induction rate in an ejector have been studied. Capturing the correct phase as well as velocity profile is imperative for the extension of the model to mass transfer and reactions. Lastly, other hydrodynamic properties like pressure drop, phase hold up and pressure profile help better the design correlations for jet ejectors.}, issn = {0360-5442}, doi = {10.1016/j.energy.2018.08.171}, author = {Sharma, Deepankar and Patwardhan, Ashwin and Ranade, Vivek} } @article {44462, title = {Efforts to access the potent antitrypanosomal marine natural product janadolide: synthesis of des- tert -butyl janadolide and its biological evaluation}, journal = {ACS Omega}, year = {2018}, month = {FEB}, abstract = {To identify novel antitrypanosomal agents based on Janadolide, a potent macrocyclic polyketide{\textendash}peptide hybrid, a macrolactonization strategy was explored. We prepared des-tert-butyl Janadolide and evaluated its antitrypanosomal activity. Our findings suggest that the tert-butyl group is necessary for the desired bioactivity.}, doi = {10.1021/acsomega.7b01920}, author = {Athawale, Paresh R. and Jachak, Gorakh and Shukla, Anurag and Shanmugam, Dhanasekaran and Reddy, Srinivasa} } @article {44181, title = {Electrochemical capacitive energy storage in PolyHIPE derived nitrogen enriched hierarchical porous carbon nanosheets}, journal = {Carbon}, volume = {128}, year = {2018}, month = {MAR}, pages = {287-295}, type = {Article}, abstract = {

Porous and interconnected electrodes based on carbon nanoarchitectures offer comprehensive advantages of large specific surface area and high porosity consequently increasing the specific capacitance of ultracapacitor energy storage systems. Emulsion-templated polymers, PolyHIPEs (Polymerized High Internal Phase Emulsions) are highly porous polymers with a structure of cages interconnected by windows thus provide suitable framework to create such porous carbon nanostructures. Herein, nitrogen enriched porous carbon nanosheets are synthesized by pyrolysis of polymer-silica hybrid PolyHIPE and subsequent silica removal. This nitrogen enriched porous carbon nanosheets when tested as an electrode for ultracapacitor, showed specific capacitance as high as 209 F/g at a current density of 1 A/g in 1 M H2SO4 with excellent capacity retention over long cycling. (c) 2017 Elsevier Ltd. All rights reserved.

}, keywords = {Energy storage, Nitrogen enriched porous carbon nanosheets, PolyHIPE template, Ultracapacitor}, issn = {0008-6223}, doi = {10.1016/j.carbon.2017.11.080}, author = {Deshmukh, Ashvini B. and Nalawade, Archana C. and Karbhal, Indrapal and Qureshi, Mohammed Shadbar and Shelke, Manjusha V.} } @article {44465, title = {Electron transfer rate analysis of a site-specifically wired copper oxidase}, journal = {Physical Chemistry Chemical Physics}, volume = {20}, year = {2018}, month = {MAR}, pages = {6159-6166}, abstract = {Electron transfer kinetic parameters of site-specifically wired copper oxidase were investigated. The enzyme{\textquoteright}s orientation towards the electrode was controlled by incorporation of propargyl-L-lysine as a site-specific anchoring point. Herein, we demonstrate the importance of immobilization orientation and how it affects electron transfer efficiency and kinetics to each of the enzyme{\textquoteright}s two active sites.}, doi = {10.1039/c8cp00041g}, author = {Schlesinger, Orr and Pasi, Mor and Dandela, Rambabu and Meijler, Michael M. and Alfonta, Lital} } @conference {44661, title = {Electronic structure of Gd based transition metal antimonides GdTSb (T = Ni, Pt)}, booktitle = {2nd International Conference on Condensed Matter and Applied Physics (ICC-2017)}, year = {2018}, month = {NOV}, publisher = {Govt Engn Coll Bikaner; DST; DAE BRNS}, organization = {Govt Engn Coll Bikaner; DST; DAE BRNS}, address = {2 Huntington Quadrangles, STE 1NO1, Melville, NY 11747-4501 USA}, abstract = {

We report the electronic and magnetic properties of ternary GdNiSb and GdPtSb compounds with cubic MgAgAs type structure. The energy bands, density of states and atom specific magnetic moments of compounds have been computed using GGA+U approach. The calculations predict that GdNiSb is a small band gap semiconductor whereas GdPtSb is metallic in nature.

}, isbn = {978-0-7354-1648-2}, doi = {10.1063/1.5033035}, author = {Sahariya, Jagrati and Kumar, Pancham and Bhamu, K. C. and Soni, Amit}, editor = {Shekhawat, MS and Bhardwaj, S and Suthar, B} } @article {44200, title = {Electrospinning of non-ionic cellulose ethers/polyvinyl alcohol nanofibers: characterization and applications}, journal = {Carbohydrate Polymers}, volume = {181}, year = {2018}, month = {FEB }, pages = {175-182}, type = {Article}, abstract = {

The morphology of spin-coated films and electrospun fibers of ethyl hydroxy ethyl cellulose (EHEC), hydrophobically modified ethyl hydroxy ethyl cellulose (HM-EHEC) and their blends with Poly(vinyl alcohol) (PVA) was examined by AFM, SEM and contact angle measurements. These polysaccharides upon blending with PVA exhibited smooth surface which was evidenced by Atomic Force Microscopy (AFM) observation. The electrospinnability of above polysaccharides with PVA was demonstrated for the first time. The oriented fibers could be obtained using a rotating disc collector. Contact angles of spin-coated films and electrospun fibers were discussed in terms of hydrophobicity and wetting characteristics. Further, The nanofibers of EHEC/PVA were in-situ crosslinked using citric acid and were used for controlled release of an antibacterial drug, Chlorhexidine Digluconate (ChD). In-vitro studies of cytotoxicity, cell growth and cell proliferation were performed using L929 mouse fibroblast cells. These nanofiber mats show potential in drug delivery and as scaffolds in tissue engineering applications.

}, keywords = {cellulose, drug delivery, electrospinning, Ethyl hydroxy ethyl cellulose, Hydrophobically modified ethyl hydroxy ethyl, scaffold, Spin coating}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2017.10.070}, author = {Wali, Ashwini and Zhang, Yucheng and Sengupta, Poulomi and Higaki, Yuji and Takahara, Atsushi and Badiger, Manohar V.} } @article {45481, title = {Enantioselective N-heterocyclic carbene-catalyzed cascade reaction for the synthesis of pyrroloquinolines via N-H functionalization of indoles}, journal = {Organic letters }, volume = {20}, year = {2018}, month = {NOV}, pages = {6998-7002}, type = {Article }, abstract = {Functionalization of the indole N-H bond for enantioselective synthesis of biologically important pyrroloquinoline derivatives has been reported under oxidative N-heterocyclic carbene catalysis conditions. The interception of catalytically generated chiral alpha,beta-unsaturated acylazoliums with the indole derivatives proceeds in an aza-Michael/Michael/lactonization sequence to deliver the pyrroloquinoline derivatives in good yields, diastereoselectivities, and enantioselectivities. The simultaneous enhancement of reactivity and selectivity observed in polar aprotic solvents is noteworthy.}, issn = {1523-7060}, doi = { 10.1021/acs.orglett.8b02820}, author = {Mukherjee, Subrata and Shee, Sayan and Poisson, Thomas and Besset, Tatiana and Biju, Akkattu T.} } @article {45450, title = { Enhanced activity of Withania somnifera family-1 glycosyltransferase (UGT73A16) via mutagenesis}, journal = {World Journal Of Microbiology \& Biotechnology}, volume = {34}, year = {2018}, month = {OCT}, type = {Article }, abstract = {This work used an approach of enzyme engineering towards the improved production of baicalin as well as alteration of acceptor and donor substrate preferences in UGT73A16. The 3D model of Withania somnifera family-1 glycosyltransferase (UGT73A16) was constructed based on the known crystal structures of plant UGTs. Structural and functional properties of UGT73A16 were investigated using docking and mutagenesis. The docking studies were performed to understand the key residues involved in substrate recognition. In the molecular model of UGT73A16, substrates binding pockets are located between N- and C-terminal domains. Modeled UGT73A16 was docked with UDP-glucose, UDP-glucuronic acid (UDPGA), kaempferol, isorhamnetin, 3-hydroxy flavones, naringenin, genistein and baicalein. The protein-ligand interactions showed that His 16, Asp 246, Lys 255, Ala 337, Gln 339, Val 340, Asn 358 and Glu 362 amino acid residues may be important for catalytic activity. The kinetic parameters indicated that mutants A337C and Q339A exhibited 2-3 fold and 6-7 fold more catalytic efficiency, respectively than wild type, and shifted the sugar donor specificity from UDP-glucose to UDPGA. The mutant Q379H displayed large loss of activity with UDP-glucose and UDPGA strongly suggested that last amino acid residue of PSPG box is important for glucuronosylation and glucosylation and highly specific to sugar binding sites. The information obtained from docking and mutational studies could be beneficial in future to engineer this biocatalyst for development of better ones.}, issn = { 0959-3993}, doi = {10.1007/s11274-018-2534-4}, author = {Singh, Somesh and Patel, Krunal A. and Sonawane, Prashant D. and Vishwakarma, Rishi K. and Khan, Bashir M.} } @article {44223, title = {Enhanced and synergistic downregulation of oncogenic miRNAs by self-assembled branched DNA}, journal = {Nanoscale}, volume = {10}, year = {2018}, month = {JAN}, pages = {195-202}, type = {Article}, abstract = {

miRNAs, a group of small non-coding RNA molecules, regulate the expression of many genes involved in various cellular processes. Acute evidence suggests that one miRNA can regulate many genes as its targets, while one gene can be targeted by many miRNAs that co-operatively regulate the gene. Thus, targeting a single miRNA is not sufficient enough to rescue the disease phenotype but it is also essential to target multiple miRNAs simultaneously. This inspired us to design a novel DNA nanostructure that can concurrently downregulate multiple oncomiRNAs. Here we designed a programmable antimiR branched DNA (antimiR-bDNA) nanostructure having antimiRNAs for selective binding to oncomiRNAs miRNA-27a, 96 and 182 which collectively downregulate FOXO1a expression. The antimiR-bDNAs show enhanced stability compared to naked antimiRNAs in serum and are able to knockdown these miRNAs with up to similar to 50\% greater repression as compared to antimiRNAs. This synergistic miRNA repression leads to the restoration of FOXO1a protein levels which in turn inhibit G1-S traversion in cancer cells. To the best of our knowledge, this is the first study harnessing the ability of bDNA structures to silence multiple miRNAs simultaneously.

}, issn = {2040-3364}, doi = {10.1039/c7nr06601e}, author = {Nahar, S. and Nayak, A. K. and Ghosh, A. and Subudhi, U. and Maiti, S.} } @article {45419, title = { Enhanced selectivity of 3-D ordered macroporous Pt/Al2O3 catalysts in nitrites removal from water}, journal = {Applied Catalysis A-General}, volume = {564}, year = {2018}, month = {AUG}, pages = {26-32}, type = {Article}, abstract = {Tailored macroporous mesoporous alumina supports have been successfully prepared using a single hard templating approach. Pt nanoparticles, showing similar physico-chemical properties, were homogeneously dispersed throughout the different alumina frameworks as catalytic active phase for drinking water treatment. We demonstrated that careful modification of pore properties of the catalyst (size and connectivity) by pseudomorphic transformation can strongly modulate the reaction rate and selectivity through the limited access to Pt active sites within the alumina porous particles. Specifically, 3-D Ordered Macroporous Pt-Al2O3 catalysts with a high degree of interconnectivity yield to superior catalytic properties (enhanced activity and selectivity) over pure mesoporous counterparts in the hydrogenation of nitrites in water. We found that large pores (240 nm) interconnected with windows (110 nm) alleviate mass transfer limitations and clearly improve NZ selectivity. The findings of this study further suggest the possibility of engineering the pore architecture of the support to fine tune the selectivity for a particular reaction rather than investigating more on tuning the properties of the costly active metallic phase.}, doi = {10.1016/j.apcata.2018.07.014}, author = {Sekhar, A. C. Sunil and Zaki, A. and Troncea, S. and Casale, S. and Vinod, C. P. and Dacquin, J. P. and Granger, P.} } @article {45542, title = {Enhancement of field electron emission in topological insulator Bi2Se3 by Ni doping}, journal = {Physical Chemistry Chemical Physics}, volume = {20}, year = {2018}, month = {JUN}, pages = {18429-18435}, type = {Article}, abstract = {Nanostructures of bismuth selenide (Bi2Se3), a 3D topological insulator material, and nickel (Ni) doped Bi2Se3 samples were prepared by a hydrothermal method to explore the field emission properties. An enrichment in the field electron emission (FE) properties in terms of the threshold and turn-on field values of Bi2Se3 and Ni doped Bi2Se3 nanostructures was measured at a base pressure of \~{}1 {\texttimes} 10-8 mbar. Using the background of the Fowler{\textendash}Nordheim (FN) theory a field enhancement factor (β) of 5.7 {\texttimes} 103 and a threshold field value of 2.5 V μm-1 for 7.5\% Ni doped Bi2Se3 were determined by investigating the J{\textendash}E plot of the FE data. The value of β is three times higher than that of pure Bi2Se3 confirming the superior FE properties. The emission current was found to be very stable with the property of long standing durability as a negligible amount of variation was observed when measured at a constant value of 5 mA for 3 hours. The experimental results signify many opportunities for potential applications of Ni doped Bi2Se3 as a source of electrons in scanning as well as transmission electron microscopy, flat panel displays and as an X-ray generator, etc.}, doi = {10.1039/c8cp01982g}, author = {Mazumder, K. and Sharma, A. and Kumar, Y. and Bankar, P. and More, M. A. and Devan, R. and Shirage, P. M.} } @article {45448, title = {Entacapone: improving aqueous solubility, diffusion permeability, and cocrystal stability with theophylline}, journal = {Crystal Growth \& Design}, volume = {18}, year = {2018}, month = {OCT}, pages = {6061-6069}, type = {Article}, abstract = {Cocrystallization is a well-established technique to improve the solubility, bioavailability, and stability of active pharmaceutical ingredients (APIs) but permeability and diffusion rate control via cocrystals is relatively less well studied, and the exact role of coformers in influencing the diffusion rate of drug cocrystals is still not fully understood. The aqueous solubility and permeability diffusion of Entacapone, ETP, a Biopharmaceutical Classification System (BCS) Class IV drug of low solubility and low permeability, with Generally Regarded as Safe (GRAS) coformers has been studied. Fixed stoichiometry cocrystals of ETP with acetamide (ACT, 1:1), nicotinamide (NAM, 1:1), isonicotinamide (INAM, 1:1), pyrazinamide (PYZ, 1:1), and isoniazid (INZ), 1:1) were prepared by solvent-assisted grinding. Theophylline (THP) resulted in a cocrystal hydrate (ETP-THP-FIYD 1:1:1). The cocrystals were structurally characterized by single crystal and powder X-ray diffraction, DSC and TGA thermal measurements, and IR and NMR spectroscopy. Solubility and dissolution rate showed that there is a correlation between cocrystal stability and solubility governed by the heteromeric N-H center dot center dot center dot O, O-H center dot center dot center dot N, and O-H center dot center dot center dot O hydrogen bonds and conformational changes of ETP in cocrystal structures. ETP-THP-HYD and ETP-PYZ exhibit faster dissolution rate and high solubility and they are stable in phosphate buffer medium compared to the other cocrystals which dissociate partially during solubility experiments. Diffusion rates in a Franz cell showed that the stable and high solubility ETP-THP-HYD cocrystal has good permeability. Given that stability, solubility, and permeability are in general inversely correlated, the entacapone-theophylline hydrate cocrystal is a unique example of the thermodynamically stable cocrystal exhibiting high solubility and high permeability.}, issn = {1528-7483}, doi = {10.1021/acs.cgd.8b00921}, author = {Bommaka, Manish Kumar and Mannava, M. K. Chaitanya and Suresh, Kuthuru and Gunnam, Anilkumar and Nangia, Ashwini} } @article {44469, title = {Enzymatic formation of a skipped methyl-substituted octaprenyl side chain of longestin (KS-505a): involvement of homo-IPP as a common extender unit}, journal = {Angewandte Chemie}, volume = {57}, year = {2018}, month = {MAY}, pages = {6629-6632}, type = {Article}, abstract = {

Longestin (KS-505a), a specific inhibitor of phosphodiesterase, is a meroterpenoid that consists of a unique octacyclic terpene skeleton with branched methyl groups at unusual positions (C1 and C12). The biochemical analysis of Lon23, a methyltransferase involved in the biosynthesis of longestin, demonstrated that methylation of IPP afforded 3Z-3-methyl IPP. This compound as well as IPP was selectively accepted as extender units by Lon22, a geranylgeranyl diphosphate (GGPP) synthase homolog, to yield dimethylated GGPP (dmGGPP). Absolute configuration of dmGGPP was determined to be (4R, 12R) by degradation and chiral GC analysis. These findings led us to propose key steps of the biosynthetic pathway of the unusual homoterpenoid longestin.

}, doi = {10.1002/ange.201802116}, author = {Taro Ozaki and Shinde, Sandip S. and Gao, Lei and Okuizumi, Ryo and Liu, Chengwei and Ogasawara, Yasushi and Lei, Xiaoguang and Dairi, Tohru and Minami, Atsushi and Oikawa, Hideaki} } @article {45352, title = {Evaluating antimalarial efficacy by tracking glycolysis in Plasmodium falciparum using NMR spectroscopy}, journal = {Scientific Reports}, volume = { 8}, year = {2018}, month = {DEC}, type = {Article}, abstract = {Glucose is an essential nutrient for Plasmodium falciparum and robust glycolytic activity is indicative of viable parasites. Using NMR spectroscopy, we show that P. falciparum infected erythrocytes consume similar to 20 times more glucose, and trophozoites metabolize similar to 6 times more glucose than ring stage parasites. The glycolytic activity, and hence parasite viability, can be measured within a period of 2 h to 5 h, using this method. This facilitates antimalarial bioactivity screening on ring and trophozoite stage parasites, exclusively. We demonstrate this using potent and mechanistically distinct antimalarial compounds such as chloroquine, atovaquone, cladosporin, DDD107498 and artemisinin. Our findings indicate that ring stage parasites are inherently more tolerant to antimalarial inhibitors, a feature which may facilitate emergence of drug resistance. Thus, there is a need to discover novel antimalarial compounds, which are potent and fast acting against ring stage parasites. The NMR method reported here can facilitate the identification of such molecules.}, issn = {2045-2322}, doi = {10.1038/s41598-018-36197-3}, author = {Shivapurkar, Rupali and Hingamire, Tejashri and Kulkarni, Akshay S. and Rajamohanan, P. R. and Reddy, D. Srinivasa and Shanmugam, Dhanasekaran} } @article {44471, title = {Evaluation of Candida tropicalis (NCIM 3321) extracellular phytase having plant growth promoting potential and process development}, journal = {Biocatalysis and Agricultural Biotechnology}, volume = {13}, year = {2018}, month = {JAN}, abstract = {

Phytase is known to provide a solution for depletion of phosphorus (P). It helps it by hydrolyzing the insoluble P source in soil which is phytate. In this study, provides insight on yeast Candida tropicalis (NCIM 3321) which produces cell bound and extracellular thermostable phytase. The media components were optimized to enhance the enzyme production and checked for plant growth promoting activity. On optimization the isolate exhibited enhanced cell bound and extracellular phytase activity by four folds (from 236 to 1024 IU DCG$^{-}${\textonesuperior}) and by five folds (from 0.46 to 1.95 IU ml$^{-}${\textonesuperior}) respectively in 36 h. The production time decreased to 24 h compare to shake flask on Up-scaling the production process upto 10 L scale, thus increasing the productivity of cell bound (1810 IU DCG$^{-}${\textonesuperior}day$^{-}${\textonesuperior}) and extracellular phytase (6.08 IU ml$^{-}${\textonesuperior} day$^{-}${\textonesuperior}). The crude phytase (12 IU) from NCIM 3321 strain was studied for plant growth promotion activity in lab scale and field level experiments with maize crop. Findings of the study revealed that the extracellular phytase derived from non pathogenic C. tropicalis (NCIM 3321) was found to be plant growth stimulating by increasing the available P in soil. Our findings of phytase isolated from non-pathogenic yeast C. tropicalis NCIM 3321 exhibited dephytinization potential. Therefore, current study may have profound application in sustainable agriculture.

}, doi = {10.1016/j.bcab.2017.12.013}, author = {Puppala, Kumar Raja and Naik, Tejali and Shaik, Alfina and Dastager, Syed and Kumar, V. Ravi and Khire, Jayant and Dharne, Mahesh} } @article {45464, title = {Evolutionary perspectives of genotype-phenotype factors in leishmania metabolism}, journal = {Journal of Molecular Evolution}, volume = {86}, year = {2018}, month = {AUG}, pages = {443-456}, type = {Article}, abstract = {

The sandfly midgut and the human macrophage phagolysosome provide antagonistic metabolic niches for the endoparasite Leishmania to survive and populate. Although these environments fluctuate across developmental stages, the relative changes in both these environments across parasite generations might remain gradual. Such environmental restrictions might endow parasite metabolism with a choice of specific genotypic and phenotypic factors that can constrain enzyme evolution for successful adaptation to the host. With respect to the available cellular information for Leishmania species, for the first time, we measure the relative contribution of eight inter-correlated predictors related to codon usage, GC content, gene expression, gene length, multi-functionality, and flux-coupling potential of an enzyme on the evolutionary rates of singleton metabolic genes and further compare their effects across three Leishmania species. Our analysis reveals that codon adaptation, multi-functionality, and flux-coupling potential of an enzyme are independent contributors of enzyme evolutionary rates, which can together explain a large variation in enzyme evolutionary rates across species. We also hypothesize that a species-specific occurrence of duplicated genes in novel subcellular locations can create new flux routes through certain singleton flux-coupled enzymes, thereby constraining their evolution. A cross-species comparison revealed both common and species-specific genes whose evolutionary divergence was constrained by multiple independent factors. Out of these, previously known pharmacological targets and virulence factors in Leishmania were identified, suggesting their evolutionary reasons for being important survival factors to the parasite. All these results provide a fundamental understanding of the factors underlying adaptive strategies of the parasite, which can be further targeted.

}, keywords = {Codon usage, Evolutionary rate variation, Leishmania metabolism, Multi-functionality, Physiological fluxcoupling, Principal component regression (PCR)}, issn = {0022-2844}, doi = {10.1007/s00239-018-9857-5}, author = {Subramanian, Abhishek and Sarkar, Ram Rup} } @article {45405, title = {Experimental and theoretical investigations of different diketopyrrolopyrrole-based polymers}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {SEP}, pages = {11710-11717}, type = {Article}, abstract = {Diketopyrrolopyrrole (DPP)-based polymers are often considered las the most promising donor moiety in traditional bulk heterojunction solar cell devices. In this paper, we report the synthesis, characterization of various DPP-based copolymers with different molecular weights, l and polydisper sity where other aromatic repeating units (phenyl or thiophene based) are connected by alternate double bonds or triple bonds. Some of the copolymers were used for device fabrication and the crucial parameters such as fill factor (FF) and open circuit voltage (V-oc) were calculated. The density functional theory was used to optimize the geometries and deduce highest occupied molecular orbital lowest unoccupied molecular orbital gaps of all the polymers and{\textquoteright}theoretically predict their optical and electronic properties. Optical properties of all the polymers, electrochemical properties and band gaps were also obtained experimentally and compared with the theoretically predicted values.}, doi = {10.1021/acsomega.8b01132}, author = {Murugan, Pachaiyappan and Raghavendra, Venkatraman. and Chithiravel, Sundaresan and Krishnamoorthy, Kothandam and Mandal, Asit Baran and Subramanian, Venkatesan and Samanta, Debasis} } @article {44344, title = { Experimental evidences for existence of varying moieties and functional groups in assorted crop waste derived organosolv lignins}, journal = {Industrial Crops and Products}, volume = {119}, year = {2018}, month = {SEP}, pages = {144-151}, type = {Article}, abstract = {Isolation of organosolv lignins (ORGLs, water:ethanol, 180 degrees C, 1 h, 93 +/- 5\% mass balance) from various lignocellulosic materials like rice husk (RH), wheat straw (WS), bagasse (BG) \& wood chips (WC) was done and experimental evidences are provided to perceive the differences in the structures of isolated lignins. To achieve this on bulk level, lignins were characterized by XRD, GPC, TGA \& elemental analysis and on molecular level using UV-vis, ATR, 1D/2D HSQC NMR techniques. Besides isolated lignins, crop wastes and pulps were also characterized to divulge details on their properties. It was revealed that lignins have varying concentrations of sinapyl (S), coniferyl (G) and p-coumaryl alcohols (H) and tricin (T) moieties. While, Tricin (T) type lignin moieties are observed only in RH and WS derived lignins, RH derived lignin has higher concentration of side chains than other isolated lignins. Additionally, it is discovered that most lignins have G as main moiety.}, doi = {10.1016/j.indcrop.2018.04.002}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {44473, title = {Exploiting functionalities of biomass in nanocomposite development: application in dye removal and disinfection along with process intensification}, journal = {Clean Technologies and Environmental Policy}, volume = {20}, year = {2018}, month = {JUL}, pages = {981-994}, abstract = {A green synthesis of multifunctional superparamagnetic nanocomposites using the whole unripened fruit of Cassia fistula (Golden shower) with potential for removal of both cationic and anionic dyes and antimicrobial property is reported for the first time in the present work. A natural medium in the form of clarified butter was used to enhance the multifunctional character. The surface morphology, textural characteristics and composition of the prepared nanoparticles and composites were studied to understand the multifunctional nature. The dye removal was investigated for four different dyes, namely methyl blue, Congo red, rhodamine-B and auramine. Iron nanoparticles were largely effective in the removal of acidic dyes, while the magnetic nanocomposites were effective for the removal of both acidic and basic dyes which can be attributed to the functionalities imparted from Cassia fistula and clarified butter. The dye removal behavior can be significantly enhanced (similar to 50\%) using process intensification-adsorption coupled with acoustic cavitation, which also indicated a reduced adsorbent loading as compared to the conventional adsorptive dye removal. The nanomaterials were completely separated from dye solution with absolute ease of separation by applying simple magnetic field. Also, the developed materials were useful in disinfection of E. coli with a high efficiency of 90\% confirming significant antimicrobial property at lower concentrations.}, doi = {10.1007/s10098-018-1519-1}, author = {Kirti, Saumaya and Bhandari, Vinay M. and Jena, Jyotsnarani and Sorokhaibam, Laxmi Gayatri and Bhattacharyya, Arnab S.} } @article {44474, title = {Exploring GPCR lipid interactions by molecular dynamics simulations: excitements, challenges, and the way forward}, journal = {Journal of Physical Chemistry B}, volume = {122}, year = {2018}, month = {JUN}, pages = {5727-5737}, abstract = {Gprotein-coupled receptors (GPCRs) are seven transmembrane receptors that mediate a large number of cellular responses and are important drug targets. One of the current challenges in GPCR biology is to analyze the molecular signatures of receptor-lipid interactions and their subsequent effects on GPCR structure, organization, and function. Molecular dynamics simulation studies have been successful in predicting molecular determinants of receptor-lipid interactions. In particular, predicted cholesterol interaction sites appear to correspond well with experimentally determined binding sites and estimated time scales of association. In spite of several success stories, the methodologies in molecular dynamics simulations are still emerging. In this Feature Article, we provide a comprehensive overview of coarse-grain and atomistic molecular dynamics simulations of GPCR-lipid interaction in the context of experimental observations. In addition, we discuss the effect of secondary and tertiary structural constraints in coarse-grain simulations in the context of functional dynamics and structural plasticity of GPCRs. We envision that this comprehensive overview will help resolve differences in computational studies and provide a way forward.}, doi = {10.1021/acs.jpcb.8b01657}, author = {Sengupta, Durba and Prasanna, Xavier and Mohole, Madhura and Chattopadhyay, Amitabha} } @article {45394, title = { Exploring immuno-regulatory mechanisms in the tumor microenvironment: model and design of protocols for cancer remission}, journal = {Plos One}, volume = {13}, year = {2018}, month = {SEP}, type = {Article}, abstract = {The tumor microenvironment comprising of the immune cells and cytokines acts as the {\textquoteright}soil{\textquoteright} that nourishes a developing tumor. Lack of a comprehensive study of the interactions of this tumor microenvironment with the heterogeneous sub-population of tumor cells that arise from the differentiation of Cancer Stem Cells (CSC), i.e. the {\textquoteright}seed{\textquoteright}, has limited our understanding of the development of drug resistance and treatment failures in Cancer. Based on this seed and soil hypothesis, for the very first time, we have captured the concept of CSC differentiation and tumor-immune interaction into a generic model that has been validated with known experimental data. Using this model we report that as the CSC differentiation shifts from symmetric to asymmetric pattern, resistant cancer cells start accumulating in the tumor that makes it refractory to therapeutic interventions. Model analyses unveiled the presence of feedback loops that establish the dual role of M2 macrophages in regulating tumor proliferation. The study further revealed oscillations in the tumor sub-populations in the presence of T-H1 derived IFN-gamma that eliminates CSC; and the role of IL10 feedback in the regulation of T-H1/T-H2 ratio. These analyses expose important observations that are indicative of Cancer prognosis. Further, the model has been used for testing known treatment pro-tocols to explore the reasons of failure of conventional treatment strategies and propose an improvised protocol that shows promising results in suppressing the proliferation of all the cellular sub-populations of the tumor and restoring a healthy T-H1/T-H2 ratio that assures better Cancer remission.}, doi = {10.1371/journal.pone.0203030}, author = {Ganguli, Piyali and Sarkar, Ram Rup} } @article {45469, title = {Facile activation of Si-H bond by an electrophilic carbene}, journal = {Indian Chemical Society}, volume = {95}, year = {2018}, month = {JUL}, pages = {789-793}, type = {Article}, abstract = {Herein, we have explored the chemistry of 1,3-bis(2,6-di-isopropylphenyl)-5,5-dimethy1-4,6-diketopyrimidinyl-2-ylidene (1) with various silanes under mild conditions. The oxidative addition of Si-H bond of phenylsilane with DAC 1 affords the compound 2, which is unambiguously characterized by muitinuclear NMR spectroscopy, elemental analysis, and X-ray single crystal diffraction studies. Interestingly, DAC 1 activates silicon hydride bond of chlorosilanes at room temperature and results in the corresponding silylation products.}, issn = { 0019-4522}, author = {Swamy, V. S. V. S. N. and Kundu, Gargi and Sen, Sakya S.} } @article {44476, title = {Facile and solvent-free domino synthesis of new quinolidinyl-2,4-thiazolidinones: antifungal activityand molecular docking}, journal = {Mini-Reviews in Medicinal Chemistry}, volume = {18}, year = {2018}, month = {JAN}, pages = {622-630}, abstract = {Objective: We have synthesized new quinolidinyl-thiazolidinones via Knoevenagel condensation-alkylation reaction, catalyzed by [Et3NH][HSO4]. The present approach offers several advantages such as higher yields, eco-friendly reaction condition and economic availability of the catalyst. Method: The newly synthesized compounds were evaluated for their in vitro antifungal activity against six fungal strains. Some of the synthesized conjugates displayed good to moderate antifungal activity. Conclusion: Again, the molecular docking study performed against the fungal sterol 14 alpha-demethylase (CYP51) showed an excellent binding affinity towards the enzyme which could rationalize the promising antifungal activity portrayed by these derivatives and provides a platform for structure based drug design.}, doi = {10.2174/1389557516666161226161152}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Tupe, Santosh G. and Deshpande, Mukund V. and Khedkar, Vijay M. and Jha, Prakash C. and Shingate, Bapurao B.} } @article {44614, title = {Facile, environmentally benign and scalable approach to produce pristine few layers graphene suitable for preparing biocompatible polymer nanocomposites}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {JUL}, pages = {11228}, abstract = {

The success of developing graphene based biomaterials depends on its ease of synthesis, use of environmentally benign methods and low toxicity of the chemicals involved as well as biocompatibility of the final products/devices. We report, herein, a simple, scalable and safe method to produce defect free few layers graphene using naturally available phenolics i.e. curcumin/tetrahydrocurcumin/ quercetin, as solid-phase exfoliating agents with a productivity of similar to 45 g/batch (D/G = 0.54 and D/D{\textquoteright} \<= 1.23). The production method can also be employed in liquid-phase using a ball mill (20 g/batch, D/G \<= 0.23 and D/D{\textquoteright} \<= 1.12) and a sand grinder (10 g/batch, D/G \<= 0.11 and D/D similar to = 0.78). The combined effect of p-p interaction and charge transfer (from curcumin to graphene) is postulated to be the driving force for efficient exfoliation of graphite. The yielded graphene was mixed with the natural rubber (NR) latex to produce thin film nanocomposites, which show superior tensile strength with low modulus and no loss of \% elongation at break. In-vitro and in-vivo investigations demonstrate that the prepared nanocomposite is biocompatible. This approach could be useful for the production of materials suitable in products (gloves/condoms/catheters), which come in contact with body parts/ body fluids.

}, issn = {2045-2322}, doi = {10.1038/s41598-018-28560-1}, author = {George, Gejo and Sisupal, Suja Bhargavan and Tomy, Teenu and Kumaran, Alaganandam and Vadivelu, Prabha and Suvekbala, Vemparthan and Sivaram, Swaminathan and Ragupathy, Lakshminarayanan} } @article {44359, title = {Facile one-pot multicomponent synthesis and molecular docking studies of steroidal oxazole/thiazole derivatives with effective antimicrobial, antibiofilm and hemolytic properties}, journal = {Steroids}, volume = {134}, year = {2018}, month = {JUN}, pages = {22-36}, type = {Article}, abstract = {A series of steroidal oxazole and thiazole derivatives have been synthesized employing thiosemicarbazide/semicarbazide hydrochloride and ethyl 2-chloroacetoacetate with a simple and facile one-pot multicomponent reaction pathway. The antimicrobial activity of newly synthesized compounds were evaluated against four bacterial strains namely Gram-negative (Escherichia coli and Pseudomonas aeruginosa) and Gram-positive bacteria (Staphylococcus aureus and Listeria monocytogenes) in addition to pathogenic fungi (Candida albicans and Cryptococcus neofonnans). Bioactivity assay manifested that most of the compounds exhibited good antimicrobial activity. To provide additional insight into antimicrobial activity, the compounds were also tested for their antibiofilm activity against S. aureus biofilm. Moreover, molecular docking study shows binding of compounds with amino acid residues of DNA gyrase and glucosamine-6-phosphate synthase (promising antimicrobial target) through hydrogen bonding interactions. Hemolytic activity have been also investigated to ascertain the effect of compounds over RBC lysis and results indicate good prospects for biocompatibility. The expedient synthesis of steroidal heterocycles, effective antibacterial and antifungal behavior against various clinically relevant human pathogens, promising biocompatibility offer opportunities for further modification and potential applications as therapeutic agents.}, doi = {10.1016/j.steroids.2018.04.003}, author = {Ansari, Anam and Ali, Abad and Asif, Mohd and Rauf, Mohd Ahmar and Owais, Mohammad and Shamsuzzaman} } @article {45393, title = { Fast dissolving moxifloxacin hydrochloride antibiotic drug from electrospun Eudragit L-100 nonwoven nanofibrous mats}, journal = {Materials Science \& Engineering C-Materials For Biological Applications }, volume = {92}, year = {2018}, month = {NOV}, pages = { 526-539}, type = {Article}, abstract = {Antimicrobial electrospun nonwoven Eudragit L-100 nanofibrous mats containing Moxifloxacin hydrochloride (MOX-HCL) were fabricated for fast dissolving drug delivery systems (DDSs) associated with wound infection. The morphological characterization of nanofibers using ESEM revealed that the average diameter of non-woven nanofibrous mats ranges 200-600 nm. The nanofiber showed cylindrical shape with crack on the surface. Differential scanning calorimetric (DSC) and Wide Angle X-ray diffraction (WAXRD) demonstrate that the drug exists in an amorphous state in the nanofibers. Nanofibrous mats were also tested for mechanical strength, contact angle, swelling assay, haemolysis and disintegration test. In vitro disintegration tests demonstrated that the dissolution of Eudragit L-100 fiber mats was within 25 s which was higher compared to the pure drug. The Eudragit nanofibers showed pH-dependent drug release profiles, with slow release at pH 1.2 and burst release (around 30 s) at pH 6.8. The in-vitro quantitative and qualitative antimicrobial assay showed that the developed Eudragit L-100 nanofibrous mats with MOX-HCL concentration of 1\%, 5\% and 15 wt\% exhibited antibacterial activities against both gram positive (Staphylococcus aureus) and gram negative (Escherichia coli) bacteria. The invitro cytotoxicity assay using mouse fibroblast NIH/3T3 cells demonstrated significant biocompatibility of nanofiber mats. As per the results of biological evaluation, Eudragit L-100 nanofibrous mats with 1wt\% MOX-HCL could be a suitable substrate for biomedical applications. Eudragit L-100 nanofibrous mats containing Moxifloxacin hydrochloride (MOX-HCL) showed immediate DDSs for localized drug release in the wound infection at slightly acidic or alkaline conditions where faster drug release rate is required for wound healing.}, issn = {0928-4931}, doi = {10.1016/j.msec.2018.06.031}, author = {Giram, Prabhanjan S. and Shitole, Ajinkya and Nande, Smita S. and Sharma, Neeti and Garnaik, Baijayantimala} } @article {44654, title = {First total synthesis of the proposed structure of pandangolide 1}, journal = {European Journal of Organic Chemistry}, year = {2018}, month = {JUL}, pages = {3352-3364}, abstract = {

The first total synthesis of the proposed structure of pandangolide 1 is reported. The synthesis was carried out using both an organocatalytic approach and a chiral-pool approach. The required stereochemistry at C-3 and C-5 was installed by using an organocatalytic aldol reaction and a stereoselective ketone reduction. The construction of the 12-membered core was achieved by 2-methyl-6-nitrobenzoic anhydride-mediated Shiina lactonization. The structure of target molecule was confirmed unambiguously by single-crystal X-ray analysis, but the optical rotation and NMR spectroscopic data of the synthetic pandangolide 1 were found to be inconsistent with the natural product.

}, keywords = {lactones, Macrocycles, Natural products, structure elucidation, synthesis design, Total synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.201800675}, author = {Show, Krishanu and Gonnade, Rajesh G. and Kumar, Pradeep} } @article {44616, title = {Flexible composite mechanical energy harvester from a ferroelectric organoamino phosphonium salt}, journal = {Angewandte Chemie-International Edition}, volume = {57}, year = {2018}, month = {JUL}, pages = {9054-9058}, abstract = {

A new binary organic salt diphenyl diisopropylamino phosphonium hexaflurophosphate (DPDPPF6) was shown to exhibit a good ferroelectric response and employed for mechanical energy harvesting application. The phosphonium salt crystallizes in the monoclinic noncentrosymmetric space group Cc and exhibits an H-bonded 1D chain structure due to N-HF interactions. Ferroelectric measurements on the single crystals of DPDPPF6 gave a well-saturated rectangular hysteresis loop with a remnant (P-r) polarization value of 6Ccm(-2). Further, composite devices based on polydimethylsiloxane (PDMS) films for various weight percentages (3, 5, 7, 10 and 20wt\%) of DPDPPF6 were prepared and examined for power generation by using an impact test setup. A maximum output peak-to-peak voltage (V-PP) of 8.5V and an output peak-to-peak current (I-PP) of 0.5A was obtained for the non-poled composite film with 10wt\% of DPDPPF6. These results show the efficacy of organic ferroelectric substances as potential micropower generators.

}, keywords = {binary phosphonium salts, energy conversion, ferroelectricity, hydrogen bonding, polymer composites}, issn = {1433-7851}, doi = {10.1002/anie.201805479}, author = {Vijayakanth, Thangavel and Srivastava, Anant Kumar and Ram, Farsa and Kulkarni, Priyangi and Shanmuganathan, Kadhiravan and Praveenkumar, Balu and Boomishankar, Ramamoorthy} } @article {44652, title = {Fluorinated nanocellulose-reinforced all-organic flexible ferroelectric nanocomposites for energy generation}, journal = {Journal of Physical Chemistry C}, volume = {122}, year = {2018}, month = {JUL}, pages = {16540-16549}, abstract = {

We report here enhanced ferroelectric crystal formation and energy generation properties of polyvinylidene fluoride (PVDF) in the presence of surface-modified crystalline nanocellulose. Incorporation of only 2-5 wt \% fluorinated nanocellulose (FNC) in PVDF has been found to significantly induce polar beta/gamma-phase crystallization as compared to the addition of unmodified nanocellulose (carboxylated nanocellulose). A device made up of electrically poled PVDF/FNC composite films yielded 2 orders of magnitude higher voltage output than neat PVDF in vibrational energy harvesting. This remarkable increase in energy generation properties of PVDF at such a low loading of an organic natural biopolymer could be attributed to the tailored surface chemistry of nanocellulose, facilitating strong interfacial interactions between PVDF and FNC. Interestingly, energy harvesting devices fabricated from PVDF/FNC nanocomposites charged a 4.7 mu F capacitor at significantly faster rate and the accumulated voltage on capacitor was 3.8 times greater than neat PVDF. The fact that PVDF/FNC nanocomposites still retain a strain at break of 10-15\% and can charge a capacitor in few seconds suggests potential use of these nanocomposites as flexible energy harvesting materials at large strain conditions.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.8b03470}, author = {Ram, Farsa and Ambone, Tushar and Sharma, Aakash and Murugesan, Rajarathinam and Kajale, Deepak and Borkar, Vivek and Ali, Shaikh Faruque and Balu, Praveen Kumar and Kumaraswamy, Guruswamy and Shanmuganathan, Kadhiravan} } @proceedings {45574, title = {Framework for building a portfolio of disruptive technologies for sustainable mobility}, year = {2018}, month = {OCT}, publisher = {FISITA}, address = {Chennai; India}, abstract = {We provide a framework that would help the CTO to (a) assess the disruptive power of new technologies at an early stage (b) systematically track its evolution and (c) build a sustainable plan for the company to respond to the disruption. We have applied our framework to illustrate how the CTO of an automotive OEM can build a portfolio of disruptive technologies in electric, autonomous and connected vehicles to create sustainable mobility for the future. We describe qualitative and quantitative tools and metrics that would help the CTO to make investment decisions on new disruptive technologies and communicate to the stakeholders}, url = {https://www.scopus.com/inward/record.url?eid=2-s2.0-85057984300\&partnerID=40\&md5=9cdbb097550a6ed6e2d126140aba0ad3}, author = {Venugopal, S. and Shankar, S.} } @article {44478, title = {Friedel{\textendash}crafts alkylation over Zr-mont catalyst for the production of diesel fuel precursors}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {MAY}, pages = {5491{\textendash}5501}, type = {Article}, abstract = {Heterogeneous Zr-Mont catalyst prepared by a simple protocol was employed for the production of diesel fuel precursors via Friedel{\textendash}Crafts (FC) alkylation of petroleum-derived arenes (e.g., mesitylene, xylene, and toluene) with biomass-derived 5-(hydroxymethyl)furfural (HMF), HMF derivatives, and carbohydrates. Initially, several acidic catalysts were screened for the FC alkylation of mesitylene with HMF in nitroethane solvent. Among all, Zr-Mont catalyst gave an exceptionally high yield (80\%) of mesitylmethylfurfural (MMF). The catalytic activity of Zr-Mont was also evaluated for the alkylation of different petroleum-derived arenes with ester/halogen derivatives of HMF. Suitable acid strength and high surface area of Zr-Mont were its major attributes to make it the most efficient solid acid catalyst for this FC reaction. Even after several reuses, the catalytic activity of Zr-Mont was found to be consistent, which was also evidenced by the acidity measurements of fresh and reused Zr-Mont catalysts by temperature-programmed desorption of ammonia and pyridine Fourier transform infrared spectroscopy techniques. Direct conversion of glucose to diesel fuel precursors was also attempted over Zr-Mont catalyst in mesitylene and polar nonacidic solvents at 150 {\textdegree}C. However, the activity of Zr-Mont catalyst was limited for glucose dehydration to HMF and MMF did not form. When the same experiment was performed in formic acid medium, MMF was produced in 34\% yield. After the addition of formic acid, the reaction becomes biphasic which contains mesitylene as an organic phase and formic acid as an aqueous phase. Formic acid worked as a solvent, reactant, and cocatalyst, whereas mesitylene worked as a reactant and product extraction phase to enable easy product isolation. With this strategy, other diesel fuel precursors were also produced in 26{\textendash}30\% yields from glucose and different arenes. Similar strategy was successfully extended for the conversion of sucrose to diesel fuel precursors.}, doi = {10.1021/acsomega.8b00560}, author = {Shinde, Suhas and Rode, Chandrashekhar Vasant} } @article {44345, title = { Functionalized carbon nanotube reinforced polymer nanocomposite microcapsules with enhanced stiffness}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {550}, year = {2018}, month = {AUG}, pages = {82-89}, type = {Article}, abstract = {Microcapsules with tunable mechanical properties are highly desirable in pressure sensitive applications. We report here a facile approach to prepare polyurea/multiwall carbon nanotube (MWCNTs) nanocomposite microcapsules (MICs) with enhanced stiffness. A model compound dimethyl phthalate (DMP) was used as core material. MWCNTs were modified with reactive functional groups namely carboxyl (-COOH), amines (-NH2), and isocyanates (-NCO) to ensure a stronger interface between polymer wall and MWCNTs. Functionalization of MWCNTs was corroborated by Fourier transformed infrared spectroscopy (FTIR). Scanning electron microscopy (SEM) was employed to study the surface morphology of MICs. The presence of MWCNTs in the microcapsule wall was confirmed by transmission electron microscopy (TEM). MICs with functionalized MWCNTs show almost 100\% increase in stiffness with respect to pristine capsules. All MICs show 92-97 +/- 1\% encapsulation efficiency. The approach used in this paper can be broadly utilized to tune the mechanical properties of the microcapsules.}, doi = {10.1016/j.colsurfa.2018.04.028}, author = {Jagtap, Siddheshwar B. and Patil, Vishal D. and Suresh, Karthika and Ram, Farsa and Mohan, Muthu Subramanian and Rajput, Shatruhan S. and Patil, Shivprasad and Shukla, Parshuram G. and Shanmuganathan, Kadhiravan} } @article {44642, title = {Fused fluorenylindolenine-donor-based unsymmetrical squaraine dyes for dye-sensitized solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {10}, year = {2018}, month = {AUG}, pages = {26335-26347}, abstract = {

A series of four unsymmetrical squaraine dyes, XSQ1-4, were synthesized using a fused fluorenylindolenine-based donor unit for dye-sensitized solar cells (DSSCs). The fused structure of fluorenylindolenine helped in moving the absorption toward the near-infrared (NIR) region, and the two sp(3)-C centers available on this donor were utilized to incorporate out-of-plane alkyl chains in opposite directions to control the dye-dye interactions on the TiO2 surface. High extinction coefficient (epsilon \>= 10(5) M-1 cm(-1)) for absorbing NIR photons and suitable highest occupied molecular orbital and lowest unoccupied molecular orbital energy levels with respect to the conduction band of TiO2 and electrolyte for charge injection and dye regeneration processes, respectively, make these dyes potential sensitizers for DSSCs. Introduction of branched alkyl groups in the pi-framework helped in controlling dye aggregation to reduce exciton quenching and assisted in TiO2 surface passivation to avoid the charge recombination process. Furthermore, having a naphthyl group on the indole part of the anchoring group containing segment helped to red-shift the absorption spectrum of dyes 15 nm toward the NIR region (XSQ3-4). Among all of the dyes under investigation, XSQ2 gave the best photovoltaic performance, having a short-circuit current density (J(SC)) of 13.99 mA cm(-2), open -circuit voltage (V-OC) of 0.66 V, and a fill factor (ff) of 0.71, with a device performance (eta) of 6.57\%. Electrochemical impedance spectroscopy revealed higher electron lifetime on TiO2 for XSQ2, which helps to avoid the charge recombination process.

}, keywords = {Dye-sensitized solar cells, fluorenylindolenine, H- and J-type aggregation, NIR absorption, out-of-plane alkyl groups, squaraine dyes}, issn = {1944-8244}, doi = {10.1021/acsami.8b09866}, author = {Bisht, Rajesh and Sudhakar, Vediappan and Kavungathodi, Munavvar Fairoos Mele and Karjule, Neeta and Nithyanandhan, Jayaraj} } @article {45422, title = {Genetic and phytochemical investigations for understanding population variability of the medicinally important tree Saraca asoca to help develop conservation strategies}, journal = {Phytochemistry}, volume = {156}, year = {2018}, month = {DEC}, pages = {43-54}, type = {Article}, abstract = {Saraca asoca (Roxb.) De Wilde (Caesalpiniaceae) is a highly traded IUCN red listed tree species used in Ayurvedic medicines for the treatment of various disorders, especially gynaecological problems. However, information about the genetic variations between populations and corresponding variation in specialized metabolites of S. asoca remains unclear. To address this issue, we analysed 11 populations of S. asoca with 106 accessions collected from Western Ghats of India using ISSR markers along with selected phytocompounds using RP-HPLC. Twenty primers were screened, out of which seven were selected for further analysis based on generation of clear polymorphic banding patterns. These seven ISSR primers produced 74 polymorphic loci. AMOVA showed 43\% genetic variation within populations and 57\% among the populations of S. asoca. To estimate the genetic relationships among S. asoca populations, UPGMA and Bayesian Models were constructed, which revealed two clusters of similar grouping patterns. However, excluding minor deviations, UPGMA and dissimilarity analysis showed close association of genotypes according to their geographical locations. Catechin (CAT), epicatechin (EPI) and gallic acid (GA) were quantified from bark and leaf samples of corresponding genotypes collected from 106 accessions. ROC plots depicted the sensitivity and specificity of the concentrations of tested phytocompounds at various cut-off points. Although, multiple logistic regression analysis predicted some association between few loci with GA, EPI and CAT, but PCA for phytochemical data failed to distinguish the populations. Overall, there were no significant trends observed to distinguish the populations based on these phytocompounds. Furthermore, the study advocates the delineate provenance regions of S. asoca genotypes/chemotype snapshots for in-situ conservation and ex-situ cultivation.}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2018.08.016}, author = {Hegde, Satisha and Pai, Sandeep Ramchandra and Bhagwat, Rasika M. and Saini, Archana and Rathore, Poonam Kanwar and Jalalpure, Sunil Satyappa and Hegde, Harsha Vasudev and Sugunan, Attayoor Purushottaman and Gupta, Vidya S. and Kholkute, Sanjiva D. and Roy, Subarna} } @article {44034, title = {Genetic engineering approach using early Vinca alkaloid biosynthesis genes led to increased tryptamine and terpenoid indole alkaloids biosynthesis in differentiating cultures of catharanthus roseus}, journal = {Protoplasma}, year = {2018}, month = {AUG}, pages = {1-11}, type = {Article}, abstract = {

Catharanthus roseus today occupies the central position in ongoing metabolic engineering efforts in medicinal plants. The entire multi-step biogenetic pathway of its very expensive anticancerous alkaloids vinblastine and vincristine is fairly very well dissected at biochemical and gene levels except the pathway steps leading to biosynthesis of monomeric alkaloid catharanthine and tabersonine. In order to enhance the plant-based productivity of these pharma molecules for the drug industry, cell and tissue cultures of C. roseus are being increasingly tested to provide their alternate production platforms. However, a rigid developmental regulation and involvement of different cell, tissues, and organelles in the synthesis of these alkaloids have restricted the utility of these cultures. Therefore, the present study was carried out with pushing the terpenoid indole alkaloid pathway metabolic flux towards dimeric alkaloids vinblastine and vincristine production by over-expressing the two upstream pathway genes tryptophan decarboxylase and strictosidine synthase at two different levels of cellular organization viz. callus and leaf tissues. The transformation experiments were carried out using Agrobacterium tumefaciens LBA1119 strain having tryptophan decarboxylase and strictosidine synthase gene cassette. The callus transformation reported a maximum of 0.027\% dry wt vindoline and 0.053\% dry wt catharanthine production, whereas, the transiently transformed leaves reported a maximum of 0.30\% dry wt vindoline, 0.10\% catharanthine, and 0.0027\% dry wt vinblastine content. {\textcopyright} 2017 Springer-Verlag GmbH Austria

}, keywords = {Agroinfiltration, Strictosidine Synthase (CrSTR), Terpenoid Indole Alkaloids (TIAs)}, doi = {10.1007/s00709-017-1151-7}, author = {Sharma, A. and Verma, P. and Mathur, A. and Mathur, A.K.} } @inbook {45577, title = {Genomic roadmaps for augmenting salinity stress tolerance in crop plants}, booktitle = {Salinity Responses and Tolerance in Plants}, volume = {2}, year = {2018}, pages = {189-216}, publisher = {Springer}, organization = {Springer}, chapter = {8}, abstract = {Serious antagonistic impacts of saline environment on plant growth, development, and yield are well established. In this regard, researchers and breeders have been utilizing many conventional as well as modern approaches to aid the pro- cess of developing salt-tolerant crops. Biotechnological tools have made the task of engineering salinity tolerance in plants easier. Currently, two major annexes are effectively employed to develop salt-tolerant crops, first, investigation of genetic variation via marker-assisted selection (MAS) and second the transgenic technology. Sustenance of plants under dynamically growth-limiting saline environment depends on alterations and/or switching between multiple biochemical pathways involved in response. A number of key regulatory genes have been successfully identified and characterized in this context which can be explored to serve the purpose of alleviation in salt-tolerant nature of plants. Several genomics-abetted approaches have been reported aiming toward improvement in growth and yield of crops under saline envi- ronment. Present chapter focuses on genomic roadmaps for augmentation of crop salt tolerance by various methods including MAS, transgenic breeding, manipulations in small non-coding RNAs, and genome editing. These approaches utilize key players involved in salinity-mediated plant defense mechanisms, such as ion transporters, osmolytes, antioxidants, transcription factors, signaling proteins, and microRNA. The chapter attempts to summarize the effective targets and exploration of these key entities to raise salt-tolerant plants through various genomics-related tools. }, isbn = {978-3319903170}, doi = {10.1007/978-3-319-90318-7_8}, author = {Suprasanna, P. and Ghuge, S. A. and Patade, V. Y. and Mirajkar, S. J. and Nikalje, G. C.} } @article {44485, title = {Global transcriptome analysis of grapevine ( Vitis vinifera L.) leaves under salt stress reveals differential response at early and late stages of stress in table grape cv. Thompson Seedless}, journal = {Plant Physiology and Biochemistry}, volume = {129}, year = {2018}, month = {MAY}, pages = {168-179}, abstract = {Among the different abiotic stresses, salt stress has a significant effect on the growth and yield of grapevine (Vitis vinifera L.). In this study, we employed RNA sequence based transcriptome analysis to study salinity stress response in grape variety Thompson Seedless. Salt stress adversely affected the growth related and physiological parameters and the effect on physiological parameters was significant within 10 days of stress imposition. A total of 343 genes were differentially expressed in response to salt stress. Among the differentially expressed genes (DEGs) only 42 genes were common at early and late stages of stress. The gene enrichment analysis revealed that GO terms related to transcription factors were over-represented. Among the DEGs, 52 were transcription factors belonging to WRKY, EREB, MYB, NAC and bHLH families. Salt stress significantly affected several pathways like metabolic pathways, biosynthesis of secondary metabolites, membrane transport development related pathways etc. 343 DEGs were distributed on all the 19 chromosomes, however clustered regions of DEGs were present on chromosomes 2, 5, 6 and 12 suggesting probable QTLs for imparting tolerance to salt and other abiotic stresses. Real-time PCR of selected genes in control and treated samples of grafted and own root vines demonstrated that rootstock influenced expression of salt stress responsive genes. Microsatellite regions were identified in ten selected salt responsive genes and highly polymorphic markers were identified using fifteen grape genotypes. This information will be useful for the identification of key genes involved in salt stress tolerance in grape. The identified DEGs could also be useful for genome wide analysis for the identification of polymorphic markers for their subsequent use in molecular breeding for developing salt tolerant grape genotypes.}, doi = {10.1016/j.plaphy.2018.05.032}, author = {Upadhyay, Anuradha and Gaonkar, Tulsi and Upadhyay, Ajay Kumar and Jogaiah, Satisha and Shinde, Manisha P. and Kadoo, Narendra and Gupta, Vidya Shrikant} } @article {45446, title = { Glycolysis is important for optimal asexual growth and formation of mature tissue cysts by Toxoplasma gondii}, journal = {International Journal for Parasitology }, volume = {48}, year = {2018}, month = {OCT}, pages = {955-968}, type = {Article}, abstract = {Toxoplasma gondii can grow and replicate using either glucose or glutamine as the major carbon source. Here, we have studied the essentiality of glycolysis in the tachyzoite and bradyzoite stages of T. gondii, using transgenic parasites that lack a functional hexokinase gene (Delta hk) in RH (Type-1) and Prugniaud (Type-II) strain parasites. Tachyzoite stage 411k parasites exhibit a fitness defect similar to that reported previously for the major glucose transporter mutant, and remain virulent in mice. However, although Prugniaud strain Delta hk tachyzoites were capable of transforming into bradyzoites in vitro, they were severely compromised in their ability to make mature bradyzoite cysts in the brain tissue of mice. Isotopic labelling studies reveal that glucose-deprived tacyzoites utilise glutamine to replenish glycolytic and pentose phosphate pathway intermediates via gluconeogenesis. Interestingly, while glutaminedeprived intracellular Delta hk tachyzoites continued to replicate, extracellular parasites were unable to efficiently invade host cells. Further, studies on mutant tachyzoites lacking a functional phosphoenolpyruvate carboxykinase (Delta pepck1) revealed that glutaminolysis is the sole source of gluconeogenic flux in glucose-deprived parasites. In addition, glutaminolysis is essential for sustaining oxidative phosphorylation in zihk parasites, while wild type (wt) and Delta pepck1 parasites can obtain ATP from either glycolysis or oxidative phosphorylation. This study provides insights into the role of nutrient metabolism during asexual propagation and development of T. gondii, and validates the versatile nature of central carbon and energy metabolism in this parasite. (C) 2018 Australian Society for Parasitology. Published by Elsevier Ltd. All rights reserved.}, issn = { 0020-7519}, doi = {10.1016/j.ijpara.2018.05.013}, author = {Shukla, Anurag and Olszewski, Kellen L. and Llinas, Manuel and Rommereim, Leah M. and Fox, Barbara A. and Bzik, David J. and Xia, Dong and Wastling, Jonathan and Beiting, Daniel and Roos, David S. and Shanmugam, Dhanasekaran} } @article {44487, title = {Gold(I)-catalyzed cross-coupling reactions of aryldiazonium salts with organostannanes}, journal = {Organic \& Biomolecular Chemistry}, volume = {16}, year = {2018}, month = {APR}, pages = {2865-2869}, type = {Article}, abstract = {

Gold(I)-catalyzed cross-coupling reactions of aryldiazonium salts with organostannanes are described. This redox neutral strategy offers an efficient approach to diverse biaryls, vinyl arenes and arylacetylenes. Monitoring the reaction with NMR and ESI-MS provided strong evidence for the in situ formation of Ph3PAuIR (R = aryl, vinyl and alkynyl) species which is crucial for the activation of aryldiazonium salts.

}, doi = {10.1039/C8OB00630J}, author = {Akram, Manjur O. and Shinde, Popat S. and Chintawar, Chetan C. and Patil, Nitin T.} } @article {44489, title = {G-quadruplex motif at the 3{\textquoteright} end of sgRNAs improves CRISPR-Cas9 based genome editing efficiency}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {MAR}, pages = {2377-2380}, abstract = {Originating as a component of prokaryotic adaptive immunity, the type II CRISPR/Cas9 system has been repurposed for targeted genome editing in various organisms. Although Cas9 can bind and cleave DNA efficiently under in vitro conditions, its activity inside a cell can vary dramatically between targets owing to differences between genomic loci and availability of enough Cas9/sgRNA (single guide RNA) complex molecules for cleavage. Most methods to improve CRISPR/Cas9 activity have so far relied on Cas9 protein engineering or base modifications in the sgRNA sequence. Here we demonstrate that a structure based rational design of sgRNAs can enhance the efficiency of Cas9 cleavage in vivo. By appending a naturally forming RNA G-quadruplex motif to the 3' end of sgRNAs we can improve its stability and target cleavage efficiency in zebrafish embryos without inducing off-target activity, thereby underscoring its value in the design of better and optimized genome editing triggers.}, issn = {1359-7345}, doi = {10.1039/C7CC08893K}, author = {Nahar, Smita and Sehgal, Paras and Azhar, Mohammad and Rai, Manish and Singh, Amrita and Sivasubbu, Sridhar and Chakraborty, Debojyoti and Maiti, Souvik} } @article {44490, title = {Greener L-lactic acid production through in situ extractive fermentation by an acid-tolerant Lactobacillus strain}, journal = {Applied Microbiology and Biotechnology}, year = {2018}, month = {MAY}, abstract = {Lactic acid (LA) fermentation requires a neutralizer for a physiologically acceptable range. However, a neutralizer generates a large amount of gypsum, an environmental pollutant. Furthermore, the downstream processing is complicated and expensive, comprising 50{\textendash}70\% of the total cost. We previously developed a Lactobacillus delbrueckii FM1, which can produce undissociated LA without neutralizer. Here, we improved FM1 by adaptive evolution at pH 4.5, which generated Adp FM1 showing an ~ 1.80-fold increase in LA production compared to FM1. The LA production via fed-batch fermentation yielded 36.2 g/L of LA, with a productivity of 0.500 g/L/h. However, cell viability was reduced due to the acidic pH and/or end-product inhibition. Therefore, an in situ LA recovery process using an extractive solvent was employed to maintain cell viability. Adp FM1 produced 49.2 g/L of LA via in situ LA-extractive fed-batch fermentation, which was ~ 1.4-fold higher than that without LA extraction. Adp FM1 provided a total LA productivity of 0.512 g/L/h in 96 h. Among the tested strains, Adp FM1 exhibited the highest H$^{+}$-ATPase activity and a 415-fold increase in H$^{+}$-ATPase gene expression compared to the parent strain. These results suggest that the in situ LA extractive fermentation process will ease downstream processing and prove to be a more economical and environmentally friendly option compared to the present fermentation. To our knowledge, this is the first report on the production of undissociated L-LA by Lactobacillus using an in situ recovery process, with high LA production levels and productivity.}, doi = {10.1007/s00253-018-9084-4}, author = {Singhvi, Mamata S. and Zendo, Takeshi and Gokhale, Digambar and Sonomoto, Kenji} } @article {45455, title = {Harnessing nucleophilicity of allenol ester with p-quinone methides via gold catalysis: application to the synthesis of diarylmethine-substituted enones}, journal = {Journal of Organic Chemistry}, volume = {83 }, year = {2018}, month = {AUG}, pages = {9353-9363}, type = {Article}, abstract = {A gold(I)-catalyzed protocol for intermolecular 1,6-conjugate addition of nucleophilic allenol ester generated in situ through [3,3]-sigmatropic rearrangement with p-quinone methides (p-QMs) has been developed. The gold catalyst plays a dual role by the pi-acid-triggered activation of alkynes and at the same time as a Lewis acid for activation of p-QMs toward nucleophilic attack. This method enables rapid access to a wide range of densely functionalized diarylmethine-substituted enones, a Morita-Baylis-Hillman (MBH) product with high selectivity, excellent yields, and broad substrate scope.}, doi = {10.1021/acs.joc.8b01294}, author = {Sharma, Brijesh M. and Rathod, Jayant and Gonnade, Rajesh G. and Kumar, Pradeep} } @article {44492, title = {Helically structured peptide architecture engineered using dimedone as a rigid organic scaffold}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAR}, pages = {2776-2780}, abstract = {This communication reports the use of a rigid organic scaffold to attach two unsymmetrical peptide chains on a single carbon atom. The approach describes the step-by-step attachment of peptide chains to the rigid dimedone template (5,5-dimethyl-1,3-cyclohexanedione) - a molecular scaffold that directs orientation of the peptide helices in a well-defined arrangement via intra-molecular hydrogen bonding. The overall topology of the final molecules was studied using CD spectroscopy which suggested existence of helical architecture.}, doi = {10.1002/slct.201702856}, author = {Nadimpally, Krishna C. and Madica, Krishnaprasad and Kotmale, Amol S. and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {44634, title = {High surface area nanoporous carbon derived from high quality jute from Bangladesh}, journal = {Materials Chemistry and Physics}, volume = {216}, year = {2018}, month = {SEP}, pages = {491-495}, type = {Article}, abstract = {

We report an economically viable and environment-friendly strategy for the preparation of nanoporous carbon (NC) from jute which is one of the most abundant natural fibers produced in Bangladesh and some South Asian countries. Nitrogen adsorption-desorption isotherms, X-ray diffraction, Raman spectroscopy, UV spectroscopy, and scanning/transmission electron microscopy were performed to characterize the obtained NC. Three different types of jute-derived NCs have been synthesized at three different temperatures, 700 degrees C, 800 degrees C and 900 degrees C. The NC prepared at 800 degrees C resulted in a high surface area (981 m(2) g(-2)) and was associated with the retention of the original fibrous shapes. This study shows a promising future for jute as a natural precursor for NCs for a myriad of applications ranging from water purification to gas separation to energy conversion and storage.

}, keywords = {Adsorbents, Graphitization, Jute, Nanoporous carbons, porous materials}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2018.05.082}, author = {Khan, Junayet Hossain and Lin, Jianjian and Young, Christine and Matsagar, Babasaheb M. and Wu, Kevin C. W. and Dhepe, Paresh L. and Islam, Md Tofazzal and Rahman, Md Mahbubur and Shrestha, Lok Kumar and Alshehri, Saad M. and Ahamad, Tansir and Salunkhe, Rahul R. and Kumar, Nanjundan Ashok and Martin, Darren J. and Yamauchi, Yusuke and Hossain, Md Shahriar A.} } @article {44655, title = {Highly diverged novel subunit composition of apicomplexan F-type ATP synthase identified from Toxoplasma gondii}, journal = {Plos Biology}, volume = {16}, year = {2018}, month = {JUL}, pages = {e2006128}, type = {Article}, abstract = {

The mitochondrial F-type ATP synthase, a multisubunit nanomotor, is critical for maintaining cellular ATP levels. In T. gondii and other apicomplexan parasites, many subunit components necessary for proper assembly and functioning of this enzyme appear to be missing. Here, we report the identification of 20 novel subunits of T. gondii F-type ATP synthase from mass spectrometry analysis of partially purified monomeric (approximately 600 kDa) and dimeric (\> 1 MDa) forms of the enzyme. Despite extreme sequence diversification, key F-O subunits a, b, and d can be identified from conserved structural features. Orthologs for these proteins are restricted to apicomplexan, chromerid, and dinoflagellate species. Interestingly, their absence in ciliates indicates a major diversion, with respect to subunit composition of this enzyme, within the alveolate clade. Discovery of these highly diversified novel components of the apicomplexan F-type ATP synthase complex could facilitate the development of novel antiparasitic agents. Structural and functional characterization of this unusual enzyme complex will advance our fundamental understanding of energy metabolism in apicomplexan species.

}, issn = {1545-7885}, doi = {10.1371/journal.pbio.2006128}, author = {Salunke, Rahul and Mourier, Tobias and Banerjee, Manidipa and Pain, Arnab and Shanmugam, Dhanasekaran} } @article {45517, title = {Highly efficient field emission properties of radially aligned carbon nanotubes}, journal = {Journal of Materials Chemistry C}, volume = {6}, year = {2018}, month = {MAY}, pages = {6584-6590}, type = {Article}, abstract = {Here, we report extraordinary field emission properties from one pot synthesized aligned carbon nanotubes endowed with related Fe nanoparticles (NPs). The CNT configuration is in the form of a carbon hollow cylinder (CHC) with CNTs radially aligned towards the CHC axis. The structure generates electron field emission properties such as an ultralow turn on field (0.35 V μm-1 at 10 μA cm-2), a low threshold field (0.41 V μm-1 at 100 μA cm-2) and a high field emission current density (7.71 mA cm-2 at 0.78 V μm-1). It also exhibits multi-fold improvement in the field enhancement factor (1.34 {\texttimes} 104) with highly stable current emission at 100 μA measured for 14 h. No post synthesis treatment is required for enhanced field emission characteristics. The growth related Fe NPs assist in lowering the work function and hence enhancing the field emission properties. The possibility of assembling nano-structured field emitters into macroscale architectures suggests new prospects for next generation three dimensional electron sources.}, doi = {10.1039/c8tc00814k}, author = {Tripathi, P. and Gupta, B.K. and Bhatnagar, A and Patel, C.R.P and Banker, P.K. and Late, D.J. and More, M.A. and Lalla, N.P. and Phase, D.M., and Choudhary, R.J. and Shaz, M.A. and Ajayan, P.M. and Srivastava, O.N.} } @article {44233, title = {High-performance field emission device utilizing vertically aligned carbon nanotubes-based pillar architectures}, journal = {AIP Advances}, volume = {8}, year = {2018}, month = {JAN}, pages = {015117}, type = {Article}, abstract = {

The vertical aligned carbon nanotubes (CNTs)-based pillar architectures were created on laminated silicon oxide/silicon (SiO2/Si) wafer substrate at 775 degrees C by using water-assisted chemical vapor deposition under low pressure process condition. The lamination was carried out by aluminum (Al, 10.0 nm thickness) as a barrier layer and iron (Fe, 1.5 nm thickness) as a catalyst precursor layer sequentially on a silicon wafer substrate. Scanning electron microscope (SEM) images show that synthesized CNTs are vertically aligned and uniformly distributed with a high density. The CNTs have approximately 2-30 walls with an inner diameter of 3-8 nm. Raman spectrum analysis shows G-band at 1580 cm(-1) and D-band at 1340 cm(-1). The G-band is higher than D-band, which indicates that CNTs are highly graphitized. The field emission analysis of the CNTs revealed high field emission current density (4mA/cm(2) at 1.2V/mu m), low turn-on field (0.6 V/mu m) and field enhancement factor (6917) with better stability and longer lifetime. Emitter morphology resulting in improved promising field emission performances, which is a crucial factor for the fabrication of pillared shaped vertical aligned CNTs bundles as practical electron sources. (c) 2018 Author(s).

}, issn = {2158-3226}, doi = {10.1063/1.5004769}, author = {Gupta, Bipin Kumar and Kedawat, Garima and Gangwar, Amit Kumar and Nagpal, Kanika and Kashyap, Pradeep Kumar and Srivastava, Shubhda and Singh, Satbir and Kumar, Pawan and Suryawanshi, Sachin R. and Seo, Deok Min and Tripathi, Prashant and More, Mahendra A. and Srivastava, O. N. and Hahm, Myung Gwan and Late, Dattatray J.} } @article {45373, title = { Homo- and heterodimeric dyes for dye-sensitized solar cells: panchromatic light absorption and modulated open circuit potential}, journal = {ChemPlusChem}, volume = {83}, year = {2018}, month = {NOV}, pages = { 998-1007}, type = {Article}, abstract = {The design of dyes for panchromatic light absorption has attracted much attention in the field of dye-sensitized solar cells (DSSCs). An approach to enhance panchromatic light absorption utilizes mixtures of complementary light-absorbing dyes as well as dyes with specific anchoring groups that facilitate interfacial charge transfer with TiO2. Dipole-dipole interactions between the dye molecules on the surface broaden the spectrum, which results in decreased DSSC device performance. However, controlled aggregation of dyes results in broadening the spectral profile along with enhanced photocurrent generation. To control the dye-dye interaction, dimeric dyes with different dipole lengths D-1-D-sq, D-sq-D(sq)were systematically designed and synthesized. The photophysical and electrochemical properties were evaluated and the E-HOMO and E-LUMO levels were determined; these energy levels determines the electron injection from E-LUMO of the dye to E-CB of TiO2 and regeneration of oxidized dye by the electrolyte, respectively. The absorption spectra of D-sq-D-sq, D-1-D-sq were broadened in solution compared to model dye D-sq; this indicates that the dye-dye interaction is prominent in solution. In D-1-D-sq excitation energy transfer between photoexcited D-1 and D-sq was explained by using Forster resonance energy transfer (FRET). The homodimeric dye showed a device performace of 2.8 \% (V-oc 0.607, J(sc) 6.62 mA/cm(2), ff 69.3 \%),whereas the heterodimeric dye D-1-D-sq showed a device performance of 3.9 \% (V-oc 0.652 V, J(sc) 8.89 mA/cm(2), ff 68.8 \%). The increased photocurrent for D-1-D(sq)is due to the panchromatic IPCE response compared to D-sq-D-sq. The increased V(oc)is due to the effective passivation of the TiO2 surface by the spirolinker, and the effective dipole moment that shifts the conduction band on TiO2. Hence, the open circuit potential, V-oc, for the devices prepared from D-sq, D-1-D-sq and D-sq-D(sq)were systematically modulated by controlling the intermolecular pi-pi and intramolecular dipole-dipole interactions of the dimeric dyes.}, issn = { 2192-6506}, doi = {10.1002/cplu.201800450}, author = {Sil, Manik Chandra and Sudhakar, Vediappan and Singh, Ambarish Kumar and Kavungathodi, Munavvar Fairoos Mele and Nithyanandhan, Jayaraj} } @article {44356, title = {Hydrothermal synthesis of rGO-PbBi2Se4 composite and investigation of its structural, chemical and field emission properties}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {29}, year = {2018}, month = {JUN}, pages = {10494-10503}, type = {Article}, abstract = {In the present study we report the one step facile synthesis of pristine lead bismuth selenide (PbBi2Se4) and reduced graphene oxide (rGO) and its composites with PbBi2Se4. Formation of pristine PbBi2Se4 and rGO-PbBi2Se4 composite were confirmed by X-ray diffraction and X-ray photoelectron spectroscopy. The surface morphology and topography investigated by using scanning electron microscopy and transmission electron microscopy revealed the formation of nano-flowers pristine PbBi2Se4. After coupling pristine PbBi2Se4 with rGO the surface morphology shows the formation of sharp vertically protruded nano-sheets/nano-flaks originated from the nano-flowers. Finally, the field emission properties of pristine PbBi2Se4 and rGO-PbBi2Se4 composite have been investigated. It has been observed that the rGO-PbBi2Se4 composite emitter exhibited excellent field emission properties with low turn-on field (similar to 2.8 V/A mu m for 10 A mu A/cm(2)), high emission current density (similar to 1288 A mu A/cm(2) at 3.9 V/A mu m) and superior current stability (similar to 4.5 h for similar to 1 A mu A) compare to pristine PbBi2Se4 emitter. Thus, the facile one step synthesis approach and robust nature of rGO-PbBi2Se4 composite emitter can provide prospects for the future development of large-area emitter applications such as flat-panel-display and vacuum micro/nanoelectronics devices.}, doi = {10.1007/s10854-018-9114-0}, author = {Aher, Rahul and Bhorde, Ajinkya and Sharma, Priyanka and Nair, Shruthi and Borate, Haribhau and Pandharkar, Subhash and Rondiya, Sachin and Chaudhary, Minakshi and Gopinath, Chinnakonda and Suryawanshi, Sachin and More, Mahendra and Jadkar, Sandesh} } @article {44497, title = {Identification of potent chromone embedded [1,2,3]-triazoles as novel anti-tubercular agents}, journal = {Royal Society Open Science}, volume = {5}, year = {2018}, month = {APR}, pages = {Article Number: 171750}, abstract = {A series of 20 novel chromone embedded [1,2,3]-triazoles derivatives were synthesized via an easy and convenient synthetic procedure starting from 2-hydroxy acetophenone. The in vitro anti-mycobacterial evaluation studies carried out in this work reveal that seven compounds exhibit significant inhibition against Mycobacterium tuberculosis H37Rv strain with MIC in the range of 1.56-12.5 mu g ml(-1). Noticeably, compound 6s was the most potent compound in vitro with a MIC value of 1.56 mu g ml(-1). Molecular docking and chemoinformatics studies revealed that compound 6s displayed drug-like properties against the enoyl-acyl carrier protein reductase of M. tuberculosis further establishing its potential as a potent inhibitor.}, doi = {10.1098/rsos.171750}, author = {Nalla, Viswanadh and Shaikh, Aslam and Bapat, Sanket and Vyas, Renu and Karthikeyan, M. and Yogeeswari, P. and Sriram, D. and Muthukrishnan, M.} } @article {44184, title = {Imido-P(V) trianion supported enantiopure neutral tetrahedral Pd(II) cages}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {FEB}, pages = {1873-1876}, type = {Article}, abstract = {

Charge-neutral chiral hosts are attractive due to their ability to recognize a wide range of guest functionalities and support enantio-selective processes. However, reports on such charge-neutral cages are very scarce in the literature. Here, we report an enantiomeric pair of tetrahedral Pd(II) cages built from chiral tris(imido) phosphate trianions and oxalate linkers, which exhibit enantioselective separation capabilities for epichlorohydrin, beta-butyrolactone, and 3-methyl- and 3-ethyl cyclopentanone.

}, issn = {1359-7345}, doi = {10.1039/c8cc00207j}, author = {Rajasekar, Prabhakaran and Pandey, Swechchha and Paithankar, Harshad and Chugh, Jeetender and Steiner, Alexander and Boomishankar, Ramamoorthy} } @article {44611, title = {Impact of half-crown/two carbonyl:-Ca2+ metal ion interactions of a low molecular weight gelator (LMWG) on its fiber to nanosphere morphology transformation with a gel-to-sol phase transition}, journal = {Soft Matter}, volume = {14}, year = {2018}, month = {JUL}, pages = {5821-5831}, abstract = {

We report here a smart functional low molecular weight gelator (LMWG) L, containing an unusual metal ion coordination site, i.e. {\textquoteleft}{\textquoteleft}half-crown/two carbonyl{\textquoteright}{\textquoteright}. The gelator L shows excellent gelation behavior with typical fibrillar morphology in acetonitrile, methanol and ethanol media. Upon Ca2+ ion binding with its {\textquoteleft}{\textquoteleft}half-crown/two carbonyl{\textquoteright}{\textquoteright} coordination site, the acetonitrile gel of L exhibits a fiber to nanosphere morphology transformation along with a gel-to-sol phase transition as confirmed by microscopic investigation and by direct naked eye visualization, respectively. The mechanism involved in this morphology transformation and gel-to-sol phase transition process was studied thoroughly with the help of computational calculations and various spectroscopic experiments and discussed.

}, issn = {1744-683X}, doi = {10.1039/c8sm01071d}, author = {Maity, Arunava and Dey, Ananta and Si, Mrinal Kanti and Ganguly, Bishwajit and Das, Amitava} } @article {45590, title = {Impairing powerhouse in colon cancer cells by hydrazide{\textendash}hydrazone-based small molecule}, journal = {ACS omega }, volume = {3}, year = {2018}, month = {FEB }, pages = {1470{\textendash}1481}, type = {Article }, abstract = {Mitochondrion has emerged as one of the unconventional targets in next-generation cancer therapy. Hence, small molecules targeting mitochondria in cancer cells have immense potential in the next-generation anticancer therapeutics. In this report, we have synthesized a library of hydrazide{\textendash}hydrazone-based small molecules and identified a novel compound that induces mitochondrial outer membrane permeabilization by inhibiting antiapoptotic B-cell CLL/lymphoma 2 (Bcl-2) family proteins followed by sequestration of proapoptotic cytochrome c. The new small molecule triggered programmed cell death (early and late apoptosis) through cell cycle arrest in the G2/M phase and caspase-9/3 cleavage in HCT-116 colon cancer cells, confirmed by an array of fluorescence confocal microscopy, cell sorting, and immunoblotting analysis. Furthermore, cell viability studies have verified that the small molecule rendered toxicity to a panel of colon cancer cells (HCT-116, DLD-1, and SW-620), keeping healthy L929 fibroblast cells unharmed. The novel small molecule has the potential to form a new understudied class of mitochondria targeting anticancer agent.}, issn = {2470-1343}, doi = {10.1021/acsomega.7b01512}, author = {Patil, S. and Kuman, M. M. and Palvai, S. and Sengupta, P. and Basu, S.} } @article {44499, title = {Improved performance and reproducibility of perovskite solar cells by jointly tuning the hole transport layer and the perovskite layer deposition}, journal = {Journal of Materials Science Materials in Electronics}, year = {2018}, month = {MAY}, pages = {1-10}, abstract = {Solution processed organometal trihalide materials spur tremendous attention due to their unprecedented performance in photovoltaic applications. However, submicron thick perovskite films are prone to morphological defects in the form of cracks, pinholes and porosity; the traits originated from their solution phase processing and subsequent crystallization. Moreover, pinholes and cracks in the thin film of spincoated Spiro-OMeTAD hole transport layer reduce the performance reliability by forming micro shorts and weaken the defense against moisture ingress to the perovskite layer. For the large scale processing of perovskite solar cell from the economically prudent solution phase processing, morphological shortcomings of both perovskite and hole transport layers need an urgent address. By selecting non-conventional lead precursor (lead acetate) and implementing anti-solvent treatment during film deposition, we able to form pinhole free and compact perovskite film. Crack free hole conducting layer is obtained by blending Spiro-OMeTAD with a conducting polymer without compromising in the solar cell performance. A detail investigation of the charge transport and charge extraction properties of the developed hole transport layers have been carried out. The developed CH3NH3PbI3 based perovskite solar cells show improved repeatability and performance.}, doi = {10.1007/s10854-018-9382-8}, author = {Sharma, Ashish and Rath, Arup K.} } @article {45452, title = { In situ base release for pH maintenance can allow shake flasks to better mimic bioreactor performance for CHO cell culture}, journal = {Journal of Chemical Technology \& Biotechnology}, volume = {93}, year = {2018}, month = {OCT}, pages = {2842-2850}, type = {Article}, abstract = {BACKGROUNDShake flasks are widely used for evaluating mammalian cells in suspension. Lack of pH control can contribute to differences in culture performance between them and bioreactors. This study evaluates whether a previously reported in situ base releasing hydrogel (pHmH) to counter pH decrease can enable shake flask cultures to better mimic bioreactor cultures. RESULTSCompared with bioreactor culture, fed-batch cultures of a recombinant Chinese hamster ovary (CHO) cell-line in shake flasks without pHmH showed a decrease in pH to 6.6, accompanied by 40, 60 and 22\% lower peak cell density, lactate accumulation, and immunoglobulin G (IgG) titer, respectively. Use of pHmH allowed shake flasks to maintain pH above 6.8 and reduced this difference to 20, 30, and 15\%, respectively, thus enabling culture performance in shake flasks to better mimic the bioreactor. IgG glycosylation profiles were similar in identically fed cultures across all three platforms. Application of pHmH hydrogel during clone screening was evaluated by comparing correlation between titers for five recombinant CHO clones in bioreactors and shake flasks with and without pHmH; a higher correlation was found in shake flasks with pHmH than without. CONCLUSIONIn situ base release through hydrogel can allow identically fed fed-batch cultures in shake flasks to better mimic cell growth, lactate accumulation and IgG titers in bioreactors, without additional infrastructure. (c) 2018 Society of Chemical Industry.}, issn = {0268-2575}, doi = {10.1002/jctb.5635}, author = {Maralingannavar, Vishwanathgouda and Shenoy, Bharath R. and Hazarika, Jahnabi and Unnikrishnan, Divya and Prabhu, Anuja and Maity, Sunit and Gadgil, Mugdha} } @article {44635, title = {In situ nanoparticle embedding for authentication of epoxy composites}, journal = {Advanced Materials}, volume = {30}, year = {2018}, month = {AUG}, pages = {1801523}, abstract = {

In situ reduction of chloroauric acid inside an amine-cured epoxy matrix leads to formation of gold nanoparticles which are embedded inside the part. This phenomenon is leveraged to design an authentication system for composites wherein the particles are embedded spatially and are invisible to the naked eye. Under UV light, the particles diffract light and create an easily visible path. The particles penetrate inside the part and create a permanent, cost-effective, tamper-proof code. The advantage of this technique is that this authentication system can be built in composite parts after fabrication of the composite structure. As very small amount (nanograms) of particles are present in the part, negligible change in the thermal characteristics of the parent matrix is observed. The particles can be embedded easily in carbon fiber as well as glass fiber reinforced epoxy structures.

}, keywords = {authentication, barcoding, composites, embedded nanoparticles, Epoxy}, issn = {0935-9648}, doi = {10.1002/adma.201801523}, author = {Pansare, Amol V. and Khairkar, Shyam R. and Shedge, Amol A. and Chhatre, Shraddha Y. and Patil, Vishwanath R. and Nagarkar, Amit A.} } @article {44234, title = {In situ synthesis of nitrogen- and sulfur-enriched hierarchical porous carbon for high-performance supercapacitor}, journal = {Energy \& Fuels}, volume = {32}, year = {2018}, month = {JAN}, pages = {908-915}, type = {Article}, abstract = {

In this work, we present a simple and facile method for the nitrogen (N)- and sulfur (S)- doped porous three-dimensional (3D) spongelike carbon materials via direct pyrolysis of N and S containing polymer N,N{\textquoteright}-methylene-bis-acrylamide cross-linked poly(acrylamide-co-2-acrylamido-2-methyl-1-propanesulfonic acid) at varying temperatures under inert atmosphere. The obtained nitrogen- and sulfur-doped porous carbons (NSPCs) possess 3D hierarchical porous structure and contain a significantly high amount of N and S species. The concurrent incorporation of N and S successfully modified the surface properties of carbon materials and lead to enhanced capacitive performance. The presented NSPC exhibits specific capacitance of 230 F g(-1) at a current density of 1 A g(-1) and showed excellent cycling stability, depicting a promising material for energy storage devices.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.7b02305}, author = {Mehare, Rupali S. and Ranganath, Suresha P. and Chaturvedi, Vikash and Badiger, Manohar. V. and Shelke, Manjusha V.} } @article {45411, title = {In vivo examination of folic acid-conjugated gold-silica nanohybrids as contrast agents for localized tumor diagnosis and biodistribution}, journal = {Bioconjugate Chemistry}, volume = { 29}, year = {2018}, pages = {4012-4019}, type = {DEC}, abstract = {Enhanced biocompatibility of nanosized contrast agent with high radiodensity and specific biodistribution is an important parameter for localized tumor imaging and organ safety. Various nanoparticles, especially gold nanorods (GNRs), have been applied for tumor diagnosis. However, their toxicity, nonspecific biodistribution, and easy aggregation are critical issues in cancer medicine. To avoid these issues, encapsulation of the GNRs in the core of nanoscopic mesoporous silica (MS) under ambient conditions, yielding multifunctional nanomaterials for cancer nanomedicine, is a recent and active development. Interestingly, GNR embedded MS nanohybrid (GNR-MS), though a promising material in nanomedicine, is rarely examined for tumor diagnosis, in vivo toxicity, organ safety, contrast ability, and excretion. Herein, we report a systematic in vivo examination of folic acid functionalized GNR-MS (GNR-MS-FA) for localized 4T1 breast tumor diagnosis, organ safety, and excretion using a one-time dose administration. The nanomaterials show good aqueous dispersibility, biocompatibility, high radiodensity, and tumor specific targeting ability (in vitro as well as in vivo). The in vivo tumor diagnosis and specific biodistribution of injected nanomaterials clearly demonstrates their potential for the visualization of tumors deep in the body of mice. In addition, all organs including the healthy glomerulus of the kidney are observed to be free of tissue injuries thereby indicating the superior biocompatibility of the nanomaterials.}, issn = {1043-1802}, doi = {10.1021/acs.bioconjchem.8b00522}, author = {Prasad, Rajendra and Agawane, Sachin B. and Chauhan, Deepak S. and Srivastava, Rohit and Selvaraj, Kaliaperumal} } @article {44504, title = {Influence of silver nanoparticles morphologies on density, viscosity and thermal conductivity of silver nanofluids and silver ionanofluids}, journal = {Journal of Nanofluids}, volume = {7}, year = {2018}, month = {APR}, pages = {246-257}, abstract = {This paper explores the consequence of silver nanoparticles morphology (nanowires, nanoplates, and nanospheres) on density, viscosity and thermal conductivity of nanofluids and IoNanoFluids. Nuclear magnetic resonance spectroscopy results reveal that hydroxyl group in cation relates to silver nanoparticle surface of silver IoNanoFluid. Effect on bonding of silver nanoparticles after solvation in an ionic liquid was investigated with Infrared spectroscopy. UV-Visible spectroscopy analysis observed variations in color and optical properties of silver IoNanoFluids compared with nanofluids. Structural and morphological characterization of silver nanofluids and silver IoNanoFluids were carried out with Scanning electron microscopy and Transmission electron microscopy techniques. The presence of silver nanoparticles from the aqueous phase of nanofluids to viscous ionic liquid phase was confirmed by X-ray photoelectron spectroscopy and Energy dispersive analysis. The thermal stability study unveils that Choline bis(trifluromethylsulfonyl)imide ionic liquid, and its derived silver IoNanoFluids, are more stable than silver nanofluids. There was no considerable impact was observed for the silver nanoparticles morphology on the density of IoNanofluids. Moreover, two-dimensional silver structures raise the viscosity further compare to other two morphologies of silver nanoparticles in a base ionic liquid. Among all three studied morphologies, silver nanowires influence additional in the enhancement of thermal conductivity for silver nanofluids and IoNanoFluids. Enhanced thermal conductivity and reduced viscosity of silver nanowires based IoNanoFluid sorts this fluid as a potential heat transfer fluid.}, doi = {10.1166/jon.2018.1451}, author = {Patil, Virendra Sudam and Andry, Cera-Manjarres and Salavera, Daniel and Rode, Chandrashekhar Vasant and Patil, Kashinath R and Coronas, Alberto} } @article {44366, title = {Inositol to aromatics -benzene free synthesis of poly oxygenated aromatics}, journal = {Carbohydrate Research}, volume = {461}, year = {2018}, month = {MAY}, pages = {38-44}, type = {Article}, abstract = {A method for the preparation of benzene derivatives from myo-inositol, an abundantly available phyto chemical is described. 1,3-Bridged acetals of inososes undergo step-wise elimination leading to the formation of polyoxygenated benzene derivatives. This aromatization reaction proceeds through the intermediacy of a beta-alkoxyenone, which could be isolated. This sequence of reactions starting from myoinositol, provides a novel route for the preparation of polyoxygenated benzene derivatives including polyoxygenated biphenyl. This scheme of synthesis demonstrates the potential of myo-inositol as a sustainable non-petrochemical resource for aromatic compounds. (C) 2018 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.carres.2018.03.007}, author = {Gurale, Bharat P. and Shashidhar, Mysore S. and Sardessai, Richa S. and Gonnade, Rajesh G.} } @article {44397, title = {Integrated production of diesel fuel precursors from carbohydrates and 2-methylfuran over Sn-mont catalyst}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {APR}, pages = {4039-4046}, abstract = {A TfOH-catalyzed highly efficient synthesis of biologically active (E)-2-cyanoacrylamides and 3-substituted azetidine-2,4-diones has been reported with 64-94\% yields under metal-free conditions. The reaction proceeds through sequential Knoevenagel condensation/stereoselective in situ monohydration of nitrile or C-N cyclization protocol in one-pot. The attractive features of this tandem process are moderate reaction conditions, high atom economy, broad substrate scope, gram-scale reaction and ease of operation.}, doi = {10.1002/slct.201800694}, author = {Shinde, Suhas H. and Rode, Chandrashekhar V.} } @article {44586, title = {Integrated transcriptomic and proteomic analyses suggest the participation of endogenous protease inhibitors in the regulation of protease gene expression in helicoverpa armigera}, journal = {Molecular \& Cellular Proteomics}, volume = {17}, year = {2018}, month = {JUL}, pages = {1324-1336}, abstract = {Insects adapt to plant protease inhibitors (PIs) present in their diet by differentially regulating multiple digestive proteases. However, mechanisms regulating protease gene expression in insects are largely enigmatic. Ingestion of multi-domain recombinant Capsicum annuum protease inhibitor-7 (CanPI-7) arrests growth and development of Helicoverpa armigera (Lepidoptera: Noctuidae). Using de novo RNA sequencing and proteomic analysis, we examined the response of H. armigera larvae fed on recombinant CanPI-7 at different time intervals. Here, we present evidence supporting a dynamic transition in H. armigera protease expression on CanPI-7 feeding with general down-regulation of protease genes at early time points (0.5 to 6 h) and significant up-regulation of specific trypsin, chymotrypsin and aminopeptidase genes at later time points (12 to 48 h). Further, coexpression of H. armigera endogenous PIs with several digestive protease genes were apparent. In addition to the differential expression of endogenous H. armigera PIs, we also observed a distinct novel isoform of endogenous PI in CanPI-7 fed H. armigera larvae. Based on present and earlier studies, we propose potential mechanism of protease regulation in H. armigera and subsequent adaptation strategy to cope with anti-nutritional components of plants.}, doi = {10.1074/mcp.RA117.000533}, author = {Lomate, Purushottam R. and Dewangan, Veena and Mahajan, Neha S. and Kumar, Yashwant and Kulkarni, Abhijeet and Wang, Li and Saxena, Smita and Gupta, Vidya S. and Giri, Ashok P.} } @article {44510, title = {Integrative approaches to understand the Mastery in manipulation of host cytokine networks by protozoan parasites with emphasis on Plasmodium and Leishmania species}, journal = {Frontiers in Immunology}, volume = {9}, year = {2018}, month = {FEB}, pages = {Article Number: 296}, abstract = {cDiseases by protozoan pathogens pose a significant public health concern, particularly in tropical and subtropical countries, where these are responsible for significant morbidity and mortality. Protozoan pathogens tend to establish chronic infections underscoring their competence at subversion of host immune processes, an important component of disease pathogenesis and of their virulence. Modulation of cytokine and chemokine levels, their crosstalks and downstream signaling pathways, and thereby influencing recruitment and activation of immune cells is crucial to immune evasion and subversion. Many protozoans are now known to secrete effector molecules that actively modulate host immune transcriptome and bring about alterations in host epigenome to alter cytokine levels and signaling. The complexity of multi-dimensional events during interaction of hosts and protozoan parasites ranges from microscopic molecular levels to macroscopic ecological and epidemiological levels that includes disrupting metabolic pathways, cell cycle (Toxoplasma and Theileria sp.), respiratory burst, and antigen presentation (Leishmania spp.) to manipulation of signaling hubs. This requires an integrative systems biology approach to combine the knowledge from all these levels to identify the complex mechanisms of protozoan evolution via immune escape during host-parasite coevolution. Considering the diversity of protozoan parasites, in this review, we have focused on Leishmania and Plasmodium infections. Along with the biological understanding, we further elucidate the current efforts in generating, integrating, and modeling of multi-dimensional data to explain the modulation of cytokine networks by these two protozoan parasites to achieve their persistence in host via immune escape during host-parasite coevolution.}, doi = {10.3389/fimmu.2018.00296}, author = {Mahanta, Anusree and Ganguli, Piyali and Barah, Pankaj and Sarkar, Ram Rup and Sarmah, Neelanjana and Phukan, Saurav and Bora, Mayuri and Baruah, Shashi} } @article {45363, title = {Interconverting hydrogen-bonding and weak n -> pi* interactions in aqueous solution: A direct spectroscopic evidence}, journal = {Journal of Physical Chemistry Letters}, volume = {9}, year = {2018}, month = {SEP}, pages = {5425-5429}, type = {Article}, abstract = {

Molecular structure and function depend on myriad noncovalent interactions. However, the weak and transient nature of noncovalent interactions in solution makes them challenging to study. Information on weak interactions is typically derived from theory and indirect structural data. Solvent fluctuations, not revealed by structure analysis, further complicate the study of these interactions. Using 2D infrared spectroscopy, we show that the strong hydrogen bond and the weak n -\> pi* interaction coexist and interconvert in aqueous solution. We found that the kinetics of these interconverting interactions becomes faster with increasing water content. This experimental observation provides a new perspective on the existence of weak noncovalent interactions in aqueous solution.

}, author = {Deb, Pranab and Jin, Geun Young and Singh, Santosh K. and Moon, Juran and Kwon, Hyejin and Das, Aloke and Bagchi, Sayan and Kim, Yung Sam} } @article {45391, title = {Interlayer hydrogen-bonded covalent organic frameworks as high-performance supercapacitors}, journal = {Journal of the American Chemical Society}, volume = {140}, year = {2018}, month = {SEP}, pages = { 10941-10945}, type = {Article}, abstract = {Covalent organic frameworks (COFs) have emerged as promising electrode materials in supercapacitors (SCs). However, their insoluble powder-like nature, poor capacitive performance in pristine form, integrated with inferior electrochemical stability is a primary concern for their long-term use in electrochemical devices. Keeping this in perspective, herein we report a redox active and hydrogen bonded COF with ultrahigh stability in conc. H2SO4 (18 M), conc. HCl (12 M) and NaOH (9 M). The as-synthesized COF fabricated as thin sheets were efficiently employed as a free-standing supercapacitor electrode material using 3 M aq. H2SO4 as an electrolyte. Moreover, the pristine COF sheet showcased outstanding areal capacitance 1600 mF cm(-2) (gravimetric 169 F g(-1)) and excellent cyclic stability (>100 000) without compromising its capacitive performance or Coulombic efficiency. Moreover, as a proof-of-concept, a solid-state supercapacitor device was also assembled and subsequently tested.}, doi = {10.1021/jacs.8b06460}, author = {Halder, Arjun and Ghosh, Meena and Khayum, Abdul M. and Bera, Saibal and Addicoat, Matthew and Sasmal, Himadri Sekhar and Karak, Suvendu and Kurungot, Sreekumar and Banerjee, Rahul} } @article {44164, title = {Intrinsically microporous polyimides containing spirobisindane and phenazine units: synthesis, characterization and gas permeation properties}, journal = {Journal of Polymer Science Part A - Polymer Chemistry}, volume = {56}, year = {2018}, month = {APR }, pages = {766-775}, abstract = {A new diamine containing spirobisindane and phenazine units, namely, 3,3,3,3-tetramethyl-2,2,3,3-tetrahydro-1,1-spirobi[cyclopenta[b]phen azine]-7,7-diamine (TTSBIDA) was synthesized starting from commercially available 5,5,6,6-tetrahydroxy-3,3,3,3-tetramethyl-1,1-spirobisindane (TTSBI). TTSBI was oxidized to 3,3,3,3-tetramethyl-2,2,3,3-tetrahydro-1,1-spirobi[indene]-5,5,6,6-tet raone (TTSBIQ) which was subsequently condensed with 4-nitro-1,2-phenylenediamine to obtain 3,3,3,3-tetramethyl-7,7-dinitro-2,2,3,3-tetrahydro-1,1-spirobi[cyclope nta[b]phenazine] (TTSBIDN). TTSBIDN was converted into TTSBIDA by reduction of the nitro groups using hydrazine hydrate in the presence of Pd/C as the catalyst. A series of new polyimides of intrinsic microporosity (PIM-PIs) were synthesized by polycondensation of TTSBIDA with commercially available aromatic dianhydrides. PIM-PIs exhibited amorphous nature, high thermal stability (T-10\>480 degrees C) and intrinsic microporosity (BET surface area=59-289 m(2)/g). The gas permeation characteristics of films of selected PIM-PIs were evaluated and they exhibited appreciable gas permeability as well as high selectivity. The CO2 and O-2 permeability of PIM-PIs were in the range 185.4-39.2 and 30.6-6.2 Barrer, respectively. Notably, polyimide derived from TTSBIDA and 4,4-(hexafluoroisopropylidene)diphthalic anhydride (PIM-PI-6FDA) exhibited high CO2 and O-2 permeability of 185.4 and 30.6 Barrer with CO2/CH4 and O-2/N-2 selectivity of 43.1 and 5.1, respectively. The data of PIM-PI-6FDA for CO2/CH4 and O-2/N-2 gas pairs were located near Robeson upper bound. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 766-775}, keywords = {Gas permeability, intrinsic microporosity, polyimides, spirobisindane}, issn = {0887-624X}, doi = {10.1002/pola.28950}, author = {Shrimant, Bharat and Dangat, Yuvraj and Kharul, Ulhas K. and Wadgaonkar, Prakash P.} } @article {45560, title = {Investigating adsorptive deep desulfurization of fuels using metal-modified adsorbents and process intensification by acoustic cavitation}, journal = {Industrial and Engineering Chemistry Research}, volume = {58}, year = {2018}, month = {MAY}, pages = {7593-7606}, type = {Article}, abstract = {

The harmful impact on the environment due to SOx emissions from fuels and increasingly strict norms over the years have amplified deep-desulfurization challenges, consequently enhancing attractiveness of adsorptive separations. The present work focuses on investigating metal modifications and process intensification using acoustic cavitation for improving sulfur removal behavior and selectivity. The proof of concept was elucidated using two model adsorbents: one commercial Shirasagi TAC adsorbent and another newer adsorbent derived from Cassia fistula biomass. Single- and double-metal modifications were studied using zinc, cobalt, nickel, and copper. An attempt was made to further improve the sulfur removal using process intensification using acoustic cavitation coupled with adsorption. The removal of three refractory sulfur compounds (viz. thiophene, benzothiophene, and dibenzothiophene) was studied, and the performance was compared for both single- and double-metal modifications apart from process intensification. In the case of TAC, a high capacity for sulfur removal, up to 23 mg S/g, was obtained, especially for dibenzothiophene. Process intensification using cavitation coupled with adsorption further improved sulfur removal to the extent of 100\%, and for metal-modified TAC, a capacity increase up to 38 mg S/g for dibenzothiophene was obtained. The results indicate that the combined effect of metal modification and process intensification can substantially improve the sulfur-removal efficiency of carbon adsorbents.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.8b04043}, author = {Suryawanshi, N.B. and Bhandari, V.M. and Sorokhaibam, L.G. and Ranade, V.V.} } @article {44383, title = { Investigations on optical properties of ZnO decorated graphene oxide (ZnO@GO) and reduced graphene oxide (ZnO@r-GO)}, journal = {Journal of Alloys and Compounds}, volume = {744}, year = {2018}, month = {MAY}, pages = {64-74}, abstract = {The present investigation is based on the production of reduced graphene oxide (r-GO) from the graphene oxide using Hummer{\textquoteright}s (GO) and improved Hummer{\textquoteright}s methods (IGO) at elaborated conditions, named as GO and IGO, respectively hereafter. In contrast to previously known techniques, the presented process does not generate toxic gas. Meanwhile, the reduction temperature can be easily controlled. This approach provides a more significant amount of hydrophilic oxidized graphene as compared to GO and IGO with the use of additional KMnO4. Thus synthesized IGO was used to produce r-GO by thermal treatment. The morphological characteristics show that the obtained samples have a wrinkled paper-like morphology with severely folded lines. However, r-GO has double layers and multilayer at the edges. All the products (GO, IGO, and r-GO) have been decorated with ZnO nanoparticles (NPs). The XRD patterns of ZnO@GO composites have confirmed the characteristic peaks of wurtzite ZnO indicating the formation of ZnO nanoparticles onto the surface of graphene. The microscopic studies confirm the random growth/decoration of ZnO NPs on the surface of GO/IGO/r-GO sheets. However, in IGO and r-GO, loading/growth of ZnO NPs are less as compared to ZnO@GO. Overall structural studies indicate the oxidation of graphite and reduction of graphene oxide into r-GO sheets and ZnO decoration. Upon UV excitations, a bright blue emission has been exhibited by the GO that originates from geminate recombination of localized e-h pairs in sp(2) clusters those primarily act as the luminescent centers. The noteworthy enhancement in the emission intensities after the incorporation of ZnO nanoparticles on the surface of GO is observed. The improved synthesis method and low-temperature reduction technique of GO may be essential for the large-scale production of r-GO as well as the construction of devices composed of ZnO@GO/IGO/r-GO. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.jallcom.2018.02.057}, author = {Kumar, Pushpendra and Som, Sudipta and Pandey, Mukesh K. and Das, Subrata and Chanda, Anupama and Singh, Jai} } @article {44396, title = {Ion pairing in 1-butyl-3-methylpyridinium halide ionic liquids studied using NMR and DFT calculations}, journal = {Physical Chemistry Chemical Physics}, volume = {20}, year = {2018}, month = {APR}, pages = {11470-11480}, abstract = {We present the H-1, C-13 and N-15 NMR chemical shifts of bulk ionic liquids based on 1-butyl-3-methylimidazolium (the cation also known as 1-butyl-3-picolinium) halides (Cl-, Br- and I-) and tribromide (Br-3(-)) salts. A characterization in solution of the analogous ICl2- and I-3(-) salts is also reported. A series of DFT calculations has been run to predict the features of the NMR spectra of the pure ILs based on a few selected supramolecular ionic aggregates. To test the effect of temperature, and vibrational and conformational motions, only for the chloride salt, we also run first-principles molecular dynamics simulations of the ion pair in the gas phase, using the ADMP scheme (Atom Centered Density Matrix Propagation molecular dynamics model). The aim of our investigation is to test whether a simple DFT based approach of ion-pairing in ionic liquids is capable of providing reliable results and under which conditions the protocol is robust. We obtained a very good agreement between the calculated and experimental spectra for the three halides, where the bulk structure of the ILs is dominated by H-bond interactions between the X- anion (X = Cl, Br and I) and the ortho protons of the pyridinium ring (a structural arrangement not too different from the solid-state structure of pyridinium halides). In contrast, when the H-bond is weak, as in the Br-3(-) case, a number of supramolecular arrangements exist in solution and the simple DFT calculations of a few selected cases cannot exhaustively explore the complete energy landscape. Moreover, the dynamic effects due to thermal motion, evaluated by ADMP MD simulations of the chloride salt, appear to be not very significant.}, doi = {10.1039/c8cp01557k}, author = {Swamy, Vincent P. and Thulasiram, Hirekodathakallu V. and Rastrelli, Federico and Saielli, Giacomo} } @article {44511, title = {Iron Catalyzed Hydroformylation of Alkenes under Mild Conditions: Evidence of an Fe(II) Catalyzed Process}, journal = {Journal of the American Chemical Society}, volume = {140}, year = {2018}, month = {MAR }, pages = {4430-4439}, abstract = {

Earth abundant, first row transition metals offer a cheap and sustainable alternative to the rare and precious metals. However, utilization of first row metals in catalysis requires harsh reaction conditions, suffers from limited activity, and fails to tolerate functional groups. Reported here is a highly efficient iron catalyzed hydroformylation of alkenes under mild conditions. This protocol operates at 10-30 bar syngas pressure below 100 degrees C, utilizes readily available ligands, and applies to an array of olefins. Thus, the iron precursor [HFe(CO)(4)](-)[Ph3PNPPh3](+) (1) in the presence of triphenyl phosphine catalyzes the hydroformylation of 1-hexene (S2), 1-octene (S1), 1-decene (S3), 1-dodecene (S4), 1-octadecene (S5), trimethoxy(vinyl)silane (S6), trimethyl(vinyl)silane (S7), cardanol (S8), 2,3-dihydrofuran (S9), allyl malonic acid (S10), styrene (S11), 4-methylstyrene (S12), 4-iBu-styrene (S13), 4-tBu-styrene (S14), 4-methoxy styrene (S15), 4-acetoxy styrene (S16), 4-bromo styrene (S17), 4-chloro styrene (S18), 4-vinylbenzonitrile (S19), 4-vinylbenzoic acid (S20), and allyl benzene (S21) to corresponding aldehydes in good to excellent yields. Both electron donating and electron withdrawing substituents could be tolerated and excellent conversions were obtained for S11-S20. Remarkably, the addition of 1 mol \% acetic acid promotes the reaction to completion within 16-24 h. Detailed mechanistic investigations revealed in situ formation of an iron-dihydride complex [H2Fe(CO)(2)(PPh3)(2)] (A) as an active catalytic species. This finding was further supported by cyclic voltammetry investigations and intermediacy of an Fe(0)-Fe(II) species was established. Combined experimental and computational investigations support the existence of an iron-dihydride as the catalyst resting state, which then follows a Fe(II) based catalytic cycle to produce aldehyde.

}, issn = {0002-7863}, doi = {10.1021/jacs.8b01286}, author = {Pandey, Swechchha and Raj, K. Vipin and Shinde, Dinesh R. and Vanka, Kumar and Kashyap, Varchaswal and Kurungot, Sreekumar and Vinod, C. P. and Chikkali, Samir H.} } @article {44372, title = {Kitchen grinder: a tool for the synthesis of metal-organic frameworks towards size selective dye adsorption}, journal = {Crystengcomm}, volume = {20}, year = {2018}, month = {MAY}, pages = {2486-2490}, abstract = {In this report, we present a simple, swift mechanochemical synthesis of metal-organic frameworks (MOFs) using a kitchen grinder. By adopting this tool, we could synthesize ZIF-8, CuBTC, and MIL-100(Fe) in multi gram-scale and successfully employ MIL-100(Fe)-KG for the efficient (ca. 98\%) removal of an organic dye (methylene blue) from aqueous solution. In particular, we demonstrated the significance of pore aperture for effective dye adsorption by comparing the adsorption behaviours of ZIF-8-KG and MIL-100(Fe)-KG. We believe that this approach could be of economic interest towards the green synthesis of porous adsorbents for waste-water treatment.}, doi = {10.1039/c8ce00333e}, author = {Samal, Mahalaxmi and Panda, Jagannath and Biswal, Bishnu P. and Sahu, Rojalin} } @article {45490, title = {Layered TiO2 nanosheet-supported NiCo2O4 nanoparticles as bifunctional electrocatalyst for overall water splitting }, journal = {ChemElectroChem}, volume = {5}, year = {2018}, month = {DEC}, pages = {4000-4007}, type = {Article}, abstract = {Exploring the generation of efficient and long-lasting bifunctional electrocatalysts obtained from low-cost transition metal oxides is crucial to the optimal production of hydrogen and oxygen by electrocatalytic water splitting. This study aims to demonstrate the applicability of layered TiO2 nanosheets as support for designing electrocatalysts. We have demonstrated the performance by decorating the TiO2 support with NiCo2O4 nanoparticles (NiCo2O4/TiO2) as catalysts for electrocatalytic overall water splitting. Moreover, the corrosion effect of usually used carbon-based supporting materials can decrease the working efficiency and, thus, the overall performance of the catalysts. In this aspect, TiO2 can be a better alternative to carbon-based systems. Layered TiO2 was synthesized at room temperature, and a simple heat treatment protocol was employed for the large-scale synthesis of NiCo2O4/TiO2. TiO2 facilitated the formation of smaller NiCo2O4 nanoparticles, also improving the dispersion. This bifunctional electrocatalyst exhibits high OER and HER performance with a low overpotential of 309 mV and 185 mV respectively, at a current density of 10 mA cm-2. TiO2 supported catalyst also exhibits other advantages like remarkable durability in the alkaline medium along with high turnover frequency (TOF) values. This inexpensive catalyst can deliver a current density of 10 mA cm-2 at only 1.64 V with a steady performance for more than 12 h for overall water splitting. Thus, this homemade system provides a proficient and low-cost alternative to the more expensive systems such as RuO2, IrO2 or Pt for the electrochemical water splitting applications.}, doi = {10.1002/celc.201801107}, author = {Raji, Vadakkekara and Rajith, Illathvalappil and Sreekumar, Kurungot} } @article {45386, title = {The Leishmania donovani IMPACT-like protein possesses non-specific nuclease activity}, journal = {International Journal of Biological Macromolecules}, volume = {119}, year = {2018}, month = {NOV}, pages = {962-973}, type = {Article}, abstract = {IMPACT (Imprinted and Ancient)-like proteins are known to be regulators of GCN2 (General control non-derepressible 2) kinases involved in translation regulation. Here, we report on cloning and characterization of an IMPACT-like protein, LdIMPACT from Leishmania donovani which harbours two domains. {\textquoteright}RWD domain{\textquoteright} at the N-terminal end that mediates GCN2 regulation, while a conserved {\textquoteright}ancient domain{\textquoteright} lies at the C-terminal end whose function remains elusive. Interestingly, our observations indicated that LdIMPACT has a novel nonspecific nuclease activity. In silico analysis further revealed the resemblance of ancient domain of LdIMPACT to RNase PH domain (known to bind to nucleic acids). The recombinant LdIMPACT exhibited a Mg2+-dependent nuclease activity. Moreover, thermostability and pH stability assays of the protein suggest it to be a stress responsive protein. Circular dichroism studies elucidated the conformational transitions of the enzyme in response to various temperature and pH conditions which correlated well with the activity profiles. Thus, the current study highlights the structural and functional characteristics of LdIMPACT which interestingly also possesses a novel nuclease activity. With its physiological relevance unresolved, the multifaceted LdIMPACT might therefore lie in a hitherto unknown network, whose perturbation could be an attractive therapeutic approach for treating leishmaniasis. (C) 2018 Elsevier B.V. All rights reserved.}, issn = { 0141-8130}, doi = {10.1016/j.ijbiomac.2018.07.175}, author = {Rao, Shilpa J. and Shukla, Ekta and Bhatia, Varsha and Lohiya, Bharat and Gaikwad, Sushama M. and Kar, Anita and Pal, Jayanta K.} } @article {45357, title = { Ligand-solvent compatibility: the unsung hero in the digestive ripening story}, journal = {Langmuir }, volume = {34}, year = {2018}, month = {NOV}, pages = {13680-13689}, type = {Article}, abstract = {

Digestive ripening (DR) is a process where a polydisperse nanocrystal (NC) system is converted into a monodisperse one with the aid of thermal heating of NCs in the presence of an excess surface-active organic ligand called digestive ripening agent (DRA) and a solvent. Here, we demonstrate that the solvent-DRA compatibility influences the final size and size distribution of the NCs in a significant manner. Accordingly, in this study, using the DR of gold NCs as the test case with alkanethiol (decanethiol/C10HT) and fluorinated thiol (1H,1H,2H,2H-perfluorodecanethiol/C10FT) as DRA{\textquoteright}s and toluene and alpha,alpha,alpha-trifluoro-toluene (TFT) and their combination as solvents, we clearly establish that alkanethiols result in best-quality NCs after DR in toluene while the fluorinated thiols provide reasonably monodispersed NCs in TFT. Our results also ascertain that even when DR is carried out in a mixture of solvents, as long as the compatible solvent is the major component, the DR process results in reasonably monodisperse NCs. As soon as the amount of uncompatible solvent exceeds a threshold limit, there is perceptible increase in the polydispersity of the NCs. We conclude that the polarity of the solvent, which affects the buildup of ligated atoms/clusters, plays a key role in controlling the size distributions of the NCs.

}, issn = { 0743-7463}, doi = {10.1021/acs.langmuir.8b02699}, author = {Shimpi, Jayesh R. and Chaudhari, Vijay Raman and Prasad, Bhagavatula L. V.} } @article {45472, title = {Limonene inhibits Candida albicans growth by inducing apoptosis}, journal = {Medical Mycology}, volume = {56}, year = {2018}, month = {JUL}, pages = { 565-578}, type = {Article}, abstract = {

Anti-Candida potential of limonene was evaluated against planktonic growth, biofilm (adhesion, development and maturation) and morphogenesis of Candida albicans in this study. Limonene is a major constituent of citrus oil and most frequently used terpene in food and beverage industry due to its pleasant fragrance, nontoxic, and is generally recognized as safe (GRAS) flavoring agent as well as treatment option in many gastrointestinal diseases. Limonene exhibited excellent anti-Candida activity and was equally effective against planktonic growth of C. albicans isolates differentially susceptible to FLC (N = 35). Limonene inhibited morphogenesis significantly at low concentration. However, it showed stage dependent activity against biofilm formation, that is, it was more effective against adhesion followed by development and maturation. Limonene also exhibited excellent synergy with FLC against planktonic and biofilm growth. SWATH-MS analysis led to identification of limonene responsive proteins that provided molecular insight of its anti-Candida activity. Proteomic analysis revealed upregulation of proteins involved in cell wall glucan synthesis (Kre6); oxidative stress (Rhr2, Adh7 and Ebp1); DNA damage stress (Mbf1 and Npl3); nucleolar stress (Rpl11, Rpl7, Rpl29, Rpl15) and down regulation of cytoskeleton organization (Crn1, Pin3, Cct8, Rbl2), and so forth, in response to limonene. Limonene mediated down regulation of Tps3 indicates activation of caspase (CaMca1) and induction of apoptosis in C. albicans. These results suggest that limonene inhibits C. albicans growth by cell wall/membrane damage induced oxidative stress that leads to DNA damage resulting into modulation of cell cycle and induction of apoptosis through nucleolar stress and metacaspase dependent pathway.

}, issn = {1369-3786}, doi = {10.1093/mmy/myx074}, author = {Thakre, Archana and Zore, Gajanan and Kodgire, Santosh and Kazi, Rubina and Mulange, Shradha and Patil, Rajendra and Shelar, Amruta and Santhakumari, Bayitigeri and Kulkarni, Mahesh J. and Kharat, Kiran and Karuppayil, Sankunny Mohan} } @article {44353, title = { Lithium hydride as an efficient reagent for the preparation of 1,2-anhydro inositols: does the reaction proceed through {\textquoteright}axial rich{\textquoteright} conformation?}, journal = {Carbohydrate Research}, volume = {463}, year = {2018}, month = {JUL}, pages = {32-36}, type = {Article}, abstract = {scyllo-Inositol derived 1,2-trans-diequatorial halohydrins can be efficiently converted to the corresponding epoxides in the presence of lithium hydride. The structure of one of the epoxides was determined by single crystal X-ray diffraction analysis. This provides a potential route for the preparation of ring modified inositol derivatives. DFT calculations suggest that this epoxide formation could be proceeding through the intermediacy of the cyclohexane ring-inverted axial-rich conformer (1,2-trans-diaxial halohydrin). This is supported by the results of DFT calculations on the formation of inositol orthoformate, where the product is locked in the axial-rich conformation, while the starting inositol has the equatorial-rich conformation.}, doi = {10.1016/j.carres.2018.04.014}, author = {Sarkar, Nitai and Sardessai, Richa S. and Shashidhar, Mysore S. and Tamboli, Majid I. and Gonnade, Rajesh G.} } @article {45360, title = {Machine learning prediction of interaction energies in rigid water clusters}, journal = {Physical Chemistry Chemical Physics }, volume = {20}, year = {2018}, month = {SEP}, pages = {22987-22996}, type = {Article}, abstract = {Classical force fields form a computationally efficient avenue for calculating the energetics of large systems. However, due to the constraints of the underlying analytical form, it is sometimes not accurate enough. Quantum mechanical (QM) methods, although accurate, are computationally prohibitive for large systems. In order to circumvent the bottle-neck of interaction energy estimation of large systems, data driven approaches based on machine learning (ML) have been employed in recent years. In most of these studies, the method of choice is artificial neural networks (ANN). In this work, we have shown an alternative ML method, support vector regression (SVR), that provides comparable accuracy with better computational efficiency. We have further used many body expansion (MBE) along with SVR to predict interaction energies in water clusters (decamers). In the case of dimer and trimer interaction energies, the root mean square errors (RMSEs) of the SVR based scheme are 0.12 kcal mol(-1) and 0.34 kcal mol(-1), respectively. We show that the SVR and MBE based scheme has a RMSE of 2.78\% in the estimation of decamer interaction energy against the parent QM method in a computationally efficient way.}, doi = {10.1039/c8cp03138j}, author = {Bose, Samik and Dhawan, Diksha and Nandi, Sutanu and Sarkar, Ram Rup and Ghosh, Debashree} } @article {44515, title = {Manganese-catalyzed direct conversion of ester to amide with liberation of H 2}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {JUN}, pages = {3381-3384}, type = {Article}, abstract = {

A simple and efficient Mn-catalyzed acylation of amines is achieved using both acyl and alkoxy functions of unactivated esters with the liberation of molecular hydrogen as a sole byproduct. The present protocol provides an atom-economical and sustainable route for the synthesis of amides from esters by employing an earth-abundant manganese salt and inexpensive phosphine-free tridentate ligand.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b01305}, author = {Mondal, Akash and Subaramanian, Murugan and Avanashiappan, Nandakumar and Balaraman, Kambaram} } @article {44232, title = {Mechanical activation in reduced graphite oxide/boron nitride nanocomposite electrocatalysts for significant improvement in dioxygen reduction}, journal = {Sustainable Energy \& Fuels}, volume = {2}, year = {2018}, month = {JAN}, pages = {252-261}, type = {Article}, abstract = {

A nanocomposite of reduced graphite oxide (rGO) with hexagonal boron nitride (h-BN) is prepared using a simple hydrothermal method. Significant enhancement in the surface area of the composite is mainly due to the pre-mechanical activation of pristine GO. The structural and morphological study reveals the formation of a homogeneous nanocomposite and masking of rGO sheets over micron sized h-BN particles respectively. Interestingly, the as-synthesized GOBN2-BM composite (nanocomposite of 2 wt\% h-BN with mechanically activated GO) catalyst exhibits significant oxygen electroreduction kinetics in terms of onset potential (E-onset = 0.89 V), half-wave potential (E-1/2 = 0.74 V) and limiting current density (J(L) = 4.4 mA cm(-2)) with a single step similar to 4-electron transfer pathway in alkaline medium. Though the composite catalysts exhibit higher overpotential (110 mV) than state-of-the-art Pt/C catalysts, they are much superior to previously reported carbon or h-BN based nanocomposite electrocatalysts. Importantly, the GOBN2-BM nanocomposite shows excellent tolerance towards both methanol oxidation and CO poisoning. Moreover, the nanocomposite catalysts show substantially higher stability than Pt/C catalysts even after 5000 cycles under similar conditions. Additionally, they show a better relative current stability (95\% retention) than that of a Pt/C catalyst, signifying immense selectivity and durability towards oxygen electroreduction kinetics. The electrocatalytic oxygen reduction activity of the nanocomposite is mainly attributed to the high surface area (thanks to mechanical activation of GO, leading to increased pore distribution) as well as the synergistic mechanism between the h-BN and carbon network of rGO. Hence, it could be a potential cathode catalyst to replace precious-metal based catalysts in alkaline fuel cells.

}, issn = {2398-4902}, doi = {10.1039/c7se00461c}, author = {Patil, Indrajit M. and Jijil, Chamundi P. and Lokanathan, Moorthi and Swami, Anita and Kakade, Bhalchandra} } @article {45392, title = {Melamine formaldehyde-metal organic gel interpenetrating polymer network derived intrinsic Fe-N-doped porous graphitic carbon electrocatalysts for oxygen reduction reaction}, journal = {New Journal of Chemistry }, volume = {42}, year = {2018}, month = {DEC}, pages = {18690-18701}, type = {Article}, abstract = {Fe, N doped porous graphitic carbon electrocatalyst (Fe-MOG-MF-C), obtained by pyrolysis of an Interpenetrating Polymer Network (IPN) comprised of melamine formaldehyde (MF as hard segment) and Metal-Organic Gel (MOG as soft segment), exhibited significant Oxygen Reduction Reaction (ORR) activity in alkaline medium. BET surface area analysis of Fe-MOG-MF-C showed high surface area (821 m(2) g(-1)), while TEM, Raman and XPS results confirmed Fe and N co-doping. Furthermore, a modulated porous morphology with a higher degree of surface area (950 m(2) g(-1)) has been accomplished for the system (Fe-MOG-MFN-C) when aided by a sublimable porogen, such as naphthalene. XPS results further demonstrated that these systems exhibited a better degree of distribution of graphitic N and an onset potential value of 0.91 V vs. RHE in 0.1 M KOH solution following an efficient four-electron ORR pathway. The electrocatalytic activity of Fe-MOG-MFN-C is superior to that of Fe-MOG-MF-C by virtue of its higher graphitic N content and surface area. Thus, the study presents a new class of IPN derived MF-MOG nanocomposites with the potential to generate extended versions of in situ Fe-N doped porous graphitic carbon structures with superior ORR activity.}, issn = {1144-0546}, doi = {10.1039/c8nj03170c}, author = {Shijina, Kottarathil and llathvalappil, Rajith and Sumitha, N. S. and Sailaja, G. S. and Kurungot, Sreekumar and Nair, Balagopal N. and Mohamed, A. Peer and Anilkumar, Gopinathan M. and Yamaguchig, Takeo and Hareesh, U. S.} } @conference {45433, title = {Melanin-based composite materials for multifunctional applications}, booktitle = {256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond}, year = {2018}, month = {AUG}, publisher = {American-Chemical-Society}, organization = {American-Chemical-Society}, address = {Boston, MA}, abstract = {256th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nanoscience, Nanotechnology and Beyond}, author = {Shanmuganathan, Kadhiravan and Ram, Farsa and Pimpalkar, Nikhil} } @article {44521, title = {Membrane-induced organization and dynamics of the N-terminal domain of chemokine receptor CXCR1: insights from atomistic simulations}, journal = {Chemistry and Physics of Lipids}, volume = {210}, year = {2018}, month = {JAN}, pages = {142-148}, abstract = {

The CXC chemokine receptor 1 (CXCR1) is an important member of the G protein-coupled receptor (GPCR) family in which the extracellular N-terminal domain has been implicated in ligand binding and selectivity. The structure of this domain has not yet been elucidated due to its inherent dynamics, but experimental evidence points toward membrane-dependent organization and dynamics. To gain molecular insight into the interaction of the N-terminal domain with the membrane bilayer, we performed a series of microsecond time scale atomistic simulations of the N-terminal domain of CXCR1 in the presence and absence of POPC bilayers. Our results show that the peptide displays a high propensity to adopt a beta-sheet conformation in the presence of the membrane bilayer. The interaction of the peptide with the membrane bilayer was found to be transient in our simulations. Interestingly, a scrambled peptide, containing the same residues in a randomly varying sequence, did not exhibit membrane-modulated structural dynamics. These results suggest that sequence-dependent electrostatics, modulated by the membrane, could play an important role in folding of the N-terminal domain. We believe that our results reinforce the emerging paradigm that cellular membranes could be important modulators of function of G protein-coupled receptors such as CXCR1.

}, keywords = {All atom MD simulations, beta-sheet, CXCR1, Membrane interaction, N-terminal}, issn = {0009-3084}, doi = {10.1016/j.chemphyslip.2017.09.003}, author = {Kharche, Shalmali and Joshi, Manali and Sengupta, Durba and Chattopadhyay, Amitabha} } @article {44522, title = {Mesoporous shell@macroporous core aluminosilicates as sustainable nanocatalysts for direct N-alkylation of amines}, journal = {Chemnanomat}, volume = {4}, year = {2018}, month = {JUN}, pages = {537-541}, abstract = {

Aluminosilicate spheres with a macroporous core and mesoporous shell (Si/Al ratio of 11) is synthesised by a sol-gel method utilizing cetyltrimethyl ammonium bromide (CTAB) as a structure directing agent in basic medium. The selective incorporation of aluminium in the silica matrix results in the formation of aluminosilicates with an overall acidity of 0.32mmol/g with interconnected pores. Direct N-alkylation reaction is a prototype of C-N bond formation reaction and meso- macroporous aluminosilicate is shown to catalyze this reaction with excellent yield. The catalyst is tested and found sustainable for five catalytic cycles even without any high temperature regeneration step.

}, keywords = {Aluminosilicates, macroporous, Mesoporous, N-alkylation, nanocatalysis}, issn = {2199-692X}, doi = {10.1002/cnma.201800081}, author = {Sekhar, Anandakumari C. Sunil and Ashokkumar, Anumol Erumpukuthickal and Cygnet, Choorapoikayil T. and Lakshmi, Saseendranpillai Vidhya and Deepak, Francis Leonard and Vinod, Chathakudath P.} } @article {44334, title = {Mesoporous tin oxide: an efficient catalyst with versatile applications in acid and oxidation catalysis}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {61-76}, type = {Article}, abstract = {Mesoporous tin oxide was prepared by template assisted and template-free methods. As-prepared materials were calcined at various temperatures to generate different nature (Bronsted and Lewis), amount and strength of acidic sites. The physico-chemical properties of the catalysts were studied by XRD, N-2 sorption, pyridine-FTIR, NH3-TPD, DRS UV-vis, TGA, SEM, TEM, H-1 MAS and Sn-119 MAS NMR analyses. The catalytic behavior of mesoporous tin oxide catalysts was evaluated for acetalization and ketalization of glycerol with benzaldehyde and acetone respectively under solvent free conditions. The catalytic performance of mesoporous tin oxide was compared with that of other conventional solid acid catalysts namely H-ZSM-5, H-mordenite, H-beta, Al-MCM-41, Al-SBA-15 and Al-TUD-1. The efficiency of mesoporous tin oxide was also tested for cyclohexene epoxidation reaction. The catalyst prepared by template assisted method showed excellent catalytic performance compared to other catalysts due the difference in nature and amount of acidic sites in the catalyst. Meso-SnO2-T-350 was stable and reusable catalyst for four cycles without any appreciable loss in activity, and therefore it offers a good catalyst for potentially wide applications.}, doi = {10.1016/j.cattod.2017.10.009}, author = {Manjunathan, Pandian and Marakatti, Vijaykumar S. and Chandra, Prakash and Kulal, Atul B. and Umbarkar, Shubhangi B. and Ravishankar, Raman and Shanbhag, Ganapati V.} } @article {44523, title = {Metabolite profiling for biomarkers in schistosoma haematobium infection and associated bladder pathologies}, journal = {Plos Neglected Tropical Diseases}, volume = {12}, year = {2018}, month = {APR}, pages = {e0006452}, abstract = {

Background Metabolic fingerprinting analysis can offer insights into underlying reactions in a biological system; hence it is crucial to the understanding of disease pathogenesis and could provide useful tools for discovering biomarkers. We sought to examine the urine and plasma metabolome in individuals affected by urogenital schistosomiasis and its associated-bladder pathologies. Methodology Blood and midstream urine were obtained from volunteers who matched our inclusion criteria among residents from Eggua, southwestern Nigeria. Samples were screened by urinalysis, microscopy, PCR and ultrasonography, and categorised as advanced (urogenital schistosomiasis associated-bladder pathologies), infection-only (urogenital schistosomiasis alone) and controls (no infection and no pathology). Metabolites were extracted and data acquired with ultra high-performance liquid chromatography coupled with Thermo Q-Exactive orbitrap HRMS. Data was analysed with MetaboAnalyst, Workflow4Metabolomics, HMDB, LipidMaps and other bioinformatics tools, with univariate and multivariate statistics for metabolite selection. Principal findings There were low levels of host sex steroids, and high levels of several benzenoids, catechols and lipids (including ganglioside, phosphatidylcholine and phosphatidylethanolamine), in infection-only and advanced cases (FDR\< 0.05, VIP\> 2, delta\> 2.0). Metabolites involved in biochemical pathways related to chorismate production were abundant in controls, while those related to choline and sphingolipid metabolism were upregulated in advanced cases FDR\<0.05). Some of these human host and Schistosoma haematobium molecules, including catechol estrogens, were good markers to distinguish infection-only and advanced cases. Conclusions Altered glycerophospholipid and sphingolipid metabolism could be key factors promoting the development of bladder pathologies and tumours during urogenital schistosomiasis.

}, issn = {1935-2735}, doi = {10.1371/journal.pntd.0006452}, author = {Adebayo, Adewale S. and Mundhe, Swapnil D. and Awobode, Henrietta O. and Onile, Olugbenga S. and Agunloye, Atinuke M. and Isokpehi, Raphael D. and Shouche, Yogesh S. and Santhakumari, Bayatigeri and Anumudu, Chiaka I.} } @article {44524, title = {Metal-free annulation of β-acylamino ketones: facile access to spirooxazolines and oxazolines via oxidative C{\textendash}O bond formation}, journal = {Organic Chemistry Frontiers }, volume = {5}, year = {2018}, month = {OCT}, pages = {544-548 }, abstract = {A metal-free annulation reaction of β-acylamino ketone derivatives has been reported for the synthesis of a group of functionalized spirooxazolines and oxazolines in good to excellent yields. The reaction proceeds via phenyliodine(III) diacetate (PIDA)-mediated oxidative C{\textendash}O bond formation in the presence of BF3{\textendash}OEt2. The mild reaction conditions, broad substrate scope, simple execution and synthetic potential of the products make this novel protocol very attractive.}, doi = {10.1039/C7QO00783C}, author = {Chavan, Santosh S. and Rupanawar, Bapurao D. and Kamble, Rohit B. and Shelke, Anil M. and Gurunath Suryavanshi} } @article {45572, title = {Metal-free hypervalent iodine/tempo mediated oxidation of amines and mechanistic insight into the reaction pathways}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {SEP}, pages = {32055-32062}, type = {Article}, abstract = {A highly efficient metal free approach for the oxidation of primary and secondary amines to their corresponding aldehydes and ketones using PhI(OAc)2 in combination with a catalytic amount of TEMPO as an oxidizing agent is described. This protocol is rapid and provides diverse products under milder reaction conditions in excellent yields. In addition, the mechanistic study is well demonstrated by spectroscopic methods.}, doi = {10.1039/c8ra07451h}, author = {Bansode, A.H. and Suryavanshi, G.} } @article {44591, title = {"Metal-free{\textquoteright}{\textquoteright} synthesis of 1,2,3-triazoles via tandem azidation, intramolecular [3+2]-cycloaddition and aromatization of ethyl acrylate derivatives}, journal = {Tetrahedron Letters}, volume = {59}, year = {2018}, month = {JUN }, pages = {2365-2367}, abstract = {

An efficient {\textquoteleft}{\textquoteleft}one-pot{\textquoteright}{\textquoteright} method for the synthesis of substituted 1,2,3-triazole derivatives in excellent yields as single regioisomer is reported. The key transformation involves an atom-efficient tandem azidation, intramolecular [3+2]-cycloaddition and aromatization of acrylate derivatives on treatment with NaN3 in DMF under mild conditions. (C) 2018 Elsevier Ltd. All rights reserved.

}, keywords = {Intramolecular cycloaddition, Regioselective, Tandem azidation, triazoles}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2018.05.020}, author = {Kumar, B. Senthil and Gadakh, Sunita and Sudalai, Arumugam} } @article {45451, title = {Methanol oxidation reaction on Pt based electrocatalysts modified ultramicroelectrode (UME): Novel electrochemical method for monitoring rate of CO adsorption}, journal = {Electrochimica Acta}, volume = {286}, year = {2018}, month = {OCT}, pages = {287-295}, type = {Article}, abstract = {Novel fast scan cyclic voltammetry (FSCV) based method has been developed to study methanol oxidation reaction on Pt nanoparticles (PtNPs) based catalysts. To support the cyclic voltammetry measurements at higher scan rates, micron-sized electrode geometries viz. PtNPs loaded on the single strand of carbon fiber (SSCF) and PtNPs decorated multiwalled carbon nanotubes (MWCNTs), loaded on commercial ultramicroelectrode (UME) have been employed. Deconvolution of the voltammograms obtained during methanol oxidation revealed three major anodic peaks. These peaks have been plausibly attributed to the electron transfer processes viz. methanol oxidation into CO/other intermediates, oxidation of these intermediates into CO2 and adsorption of un-oxidized CO on the catalyst surface. The peaks due to CO adsorption have been elucidated as a function of scan rates. The area under the peak as a function of time has been correlated to the rate of CO adsorption on these catalysts. The average rate of CO adsorption in methanol oxidation at Pt-SSCF and Pt-MWCNTs/UME are estimated to be 1.08 x 10(-8) mol cm(-2) s(-1) and 13.5 x 10(-8) mol cm(-2) s(-1) respectively. This novel method is proposed to generalize to any electrocatalysts of interest. (C) 2018 Published by Elsevier Ltd.}, issn = {0013-4686}, doi = {10.1016/j.electacta.2018.08.014}, author = {Joshi, Vrushali S. and Poudyal, Durgasha C. and Satpati, Ashis K. and Patil, Kashinath R. and Haram, Santosh K.} } @article {44526, title = {Microbacterium telephonicum sp nov., isolated from the screen of a cellular phone}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {68}, year = {2018}, month = {APR}, pages = {1052-1058}, abstract = {

A cultivation-based study of the microbial diversity of cellular phone screens led to the isolation of a Gram-stain-positive, aerobic, rod-shaped and non-endospore-forming bacterium, designated S2T63(T), exhibiting phenotypic and genotypic characteristics unique to the type strains of closely related species. Phylogenetic analysis based on 16S rRNA gene sequences indicated that the strain is a member of Microbacterium, and most closely related to Microbacterium aurantiacum IFO 15234(T) and Microbacterium kitamiense Kitami C2(T). The DNA-DNA relatedness values of the strain S2T63(T) to M. aurantiacum KACC 20510(T), M. kitamiense KACC 20514(T) and Microbacterium laevaniformans KACC 14463(T) were 65\% (+/- 4), 29.5\% (+/- 3) and 55.9\% (+/- 4), respectively. The genomic DNA G+C content was 71.8 mol\%. The major fatty acids were anteiso C-15:0, iso-C-16 : 0, C-16 : 0 and anteiso-C-17 : 0. The main polar lipids were diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylglycerol and two unidentified polar lipids. The peptidoglycan contained the amino acids glycine, lysine, alanine and glutamic acid, with substantial amounts of hydroxy glutamic acid detected, which is characteristic of peptidoglycan type B1 alpha. The predominant menaquinones were MK-12 and MK-13. Rhamnose, fucose and galactose were the whole-cell sugars detected. The strain also showed biofilm production, estimated by using crystal violet assay. Based on the results of the phenotypic and genotypic characterizations, it was concluded that the new strain represents a novel species of the genus Microbacterium, for which the name Microbacterium telephonicum is proposed, with S2T63(T) (=MCC 2967 T = KACC 18715 T = LMG 29293(T)) as the type strain.

}, keywords = {actinobacteria, bio-film, MALDI-TOF MS, mobile phone}, issn = {1466-5026}, doi = {10.1099/ijsem.0.002622}, author = {Rahi, Praveen and Kurli, Rashmi and Pansare, Aabeejjeet N. and Khairnar, Mitesh and Jagtap, Shubhangi and Patel, Nisha B. and Dastager, Syed G. and Lawson, Paul A. and Shouche, Yogesh S.} } @article {44527, title = {Microbial synthesis of mammalian metabolites of spironolactone by thermophilic fungus thermomyces lanuginosus}, journal = {Steroids}, volume = {136}, year = {2018}, month = {MAY}, abstract = {Mesophilic fungi are well recognized as models of mammalian drug metabolism. Thermophilic fungi remained unexplored despite having a unique mechanism of growing at higher temperatures and performing wide diverse reactions. The present investigation is directed to isolate a promising thermophilic fungal strain capable of biotransformation using spironolactone as a model drug. Two-stage fermentation protocol was followed for the process. The transformation of spironolactone was identified by HPLC and structure elucidation of the metabolites was done with the help of LC-MS/MS analysis and previous reports. A strain of Thermomyces lanuginosus isolated from decomposed banana peel waste was found to be most promising in transforming spironolactone to 4 metabolites viz.7α-thiospironolactone (M1) canrenone (M2), 7α-thiomethylspironolactone (M3) and 6β-OH-7α-thiomethylspironolactone (M4), the major mammalian metabolites reported previously. The synthesis of metabolites of spironolactone by T.lanuginosus similar to mammals clearly states that this fungus possess enzyme system similar to mammals. Hence, this fungus has the potential to use as a model organism for studying drug metabolism.}, doi = {10.1016/j.steroids.2018.05.011}, author = {Sreelatha, B. and Prasad, G. Shyam and Vankudoth, Koteswara Rao and Sivadevuni, Girisham} } @article {44224, title = {Microwave-assisted MgO NP catalyzed one-pot multicomponent synthesis of polysubstituted steroidal pyridines}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN}, pages = {184-197}, type = {Article}, abstract = {

The present study reports a highly efficient and green synthetic route for the synthesis of steroidal pyridines. The synthetic methodology involves a microwave-assisted one-pot multicomponent reaction using MgO NPs as a heterogeneous, mild and reusable catalyst. The synthesized MgO NPs were characterized by FTIR, TGA/DTA and XRD analyses. The remarkable features of this protocol include simple operational procedure, shorter reaction profiles, mild reaction conditions, minimal chemical waste and economic viability. The recyclability of the catalyst and high yield of products make the proposed method a sustainable alternative.

}, issn = {1144-0546}, doi = {10.1039/c7nj03742b}, author = {Ansari, Anam and Ali, Abad and Asif, Mohd and Shamsuzzaman} } @article {44594, title = {MiRNA160 is associated with local defense and systemic acquired resistance against Phytophthora infestans infection in potato}, journal = {Journal of Experimental Botany}, volume = {69}, year = {2018}, month = {APR }, pages = {2023-2036}, abstract = {

To combat pathogen infection, plants employ local defenses in infected sites and elicit systemic acquired resistance (SAR) in distant tissues. MicroRNAs have been shown to play a significant role in local defense, but their association with SAR is unknown. In addition, no such studies of the interaction between potato and Phytophthora infestans have been reported. We investigated the role of miR160 in local and SAR responses to P. infestans infection in potato. Expression analysis revealed induced levels of miR160 in both local and systemic leaves of infected wild-type plants. miR160 overexpression and knockdown plants exhibited increased susceptibility to infection, suggesting that miR160 levels equivalent to those of wild-type plants may be necessary for mounting local defense responses. Additionally, miR160 knockdown lines failed to elicit SAR, and grafting assays indicated that miR160 is required in both local and systemic leaves to trigger SAR. Consistently, SAR-associated signals and genes were dysregulated in miR160 knockdown lines. Furthermore, analysis of the expression of defense and auxin pathway genes and direct regulation of StGH3.6, a mediator of salicylic acid-auxin cross-talk, by the miR160 target StARF10 revealed the involvement of miR160 in antagonistic cross-talk between salicylic acid-mediated defense and auxin-mediated growth pathways. Overall, our study demonstrates that miR160 plays a crucial role in local defense and SAR responses during the interaction between potato and P. infestans.

}, keywords = {Auxin-salicylic acid antagonism, microRNA, miR160, Phytophthora infestans, Solanum chacoense, Solanum tuberosum, systemic acquired resistance}, issn = {0022-0957}, doi = {10.1093/jxb/ery025}, author = {Natarajan, Bhavani and Kalsi, Harpreet S. and Godbole, Prajakta and Malankar, Nilam and Thiagarayaselvam, Aarthy and Siddappa, Sundaresha and Thulasiram, Hirekodathakallu V. and Chakrabarti, Swarup K. and Banerjee, Anjan K.} } @article {44590, title = {Modeling the universal viscoelastic response of polymer fibers}, journal = {Physical Review Materials}, volume = {2}, year = {2018}, month = {JUN}, pages = {062601}, abstract = {

Polymer fibers, including natural silk and synthetic fibers, exhibit universal viscoelastic response. On stretching below yield, they show logarithmic stress decay. On unloading fibers with a glassy amorphous phase, the stress recovers. A simple phenomenological model accurately describes data from independent mechanical experiments and provides insights into the micro structural origins of the fiber response. Counter to intuition, the model indicates that it is the crystalline regions, rather than the amorphous glass, that deform first on stretching fibers at high strain rates. On holding a stretched fiber, stress decays as a consequence of relaxations in amorphous regions. Finally, unloading the fiber transfers stress from the amorphous to crystalline regions resulting in stress recovery. Model parameters correlate well with the fiber microstructure. Crystal and amorphous moduli from the model match those from x-ray diffraction. Activation energies for the temperature dependence of the peak relaxation time are similar to those reported in the literature. Thus, a simple model that invokes only crystal-amorphous coexistence can successfully model the mechanical response of a wide variety of polymer fibers.

}, issn = {2475-9953}, doi = {10.1103/PhysRevMaterials.2.062601}, author = {Sharma, Aakash and Kumaraswamy, Guruswamy and Thakre, Shirish} } @article {44587, title = {Modern trends in inorganic chemistry: celebration of inorganic chemistry in India}, journal = {Journal of Chemical Sciences}, volume = {130}, year = {2018}, month = {JUL}, pages = {Article Number: UNSP 75}, doi = {10.1007/s12039-018-1499-z}, author = {Chikkali, Samir H. and Anand, Venkataramanarao G. and Srinivas, Darbha and Kumbhar, Avinash S.} } @article {45588, title = {Modification of porous polyethylene scaffolds for cell attachment and proliferation}, journal = {International journal of nanomedicine}, volume = {13}, year = {2018}, month = {MAR}, pages = {87-90}, type = {Article}, abstract = {

Synthetic polymers are widely researched for their use in tissue engineering. Control in size, surface area, pore size, and elasticity are the biggest advantages of using a man-made polymer. However, often the polymers are hydrophobic (do not encourage cell attachment); hence, it is hugely challenging to integrate them with the normal tissues. Herein, we have tried to overcome this disadvantage of polymers by coating them with citrate-stabilized gold nanoparticles and arginine. High-density polyethylene, upon multiple treatments, shows low water contact angle, which encourages cell attachment and proliferation in comparison to the untreated polymers.

}, doi = {10.2147/IJN.S125000}, author = {Sengupta, P. and Surwase, S. S. and Prasad, B. L.} } @article {44593, title = {Modulated photochemical reactivities of O-acetylated (3{\textquoteright}, 5{\textquoteright}-dimethoxyphenyl) heteroaryl acyloin derivatives under direct irradiation and photo-induced electron transfer conditions}, journal = {Photochemical \& Photobiological Sciences}, volume = {17}, year = {2018}, month = {JUN }, pages = {835-845}, abstract = {

3{\textquoteright}, 5{\textquoteright}-Dimethoxybenzoin esters are important photoremovable protecting groups which form 2-phenylbenzofuran derivatives upon photo-release. We utilized a similar concept to test a photochemical method of installing a benzofuran moiety to the conjugated backbone by subjecting O-acetylated (3{\textquoteright}, 5{\textquoteright}-dimethylphenyl) heteroaryl acyloin derivatives through direct photo irradiation and a photo-induced electron transfer reaction. These photochemical methods were explored for a variety of heteroaromatic substrates appended on the ketone part of the O-acetylated cross-acyloin derivatives. The furan, thiophene and bithiophene derivatives led to the expected cyclized (benzofuran capped) products but the derivatives with extended conjugation decomposed under direct irradiation. However, under irradiation in the presence of an electron donor such as triethylamine, the extended acyloin derivatives afforded both cyclized and deacetoxylated products. The semiconducting nature of the extended cyclized products was also explored and tested for solution-processed organic field effect transistors, providing a maximum hole mobility of 1.3 x 10(-6) cm(2) V-1 s(-1).

}, issn = {1474-905X}, doi = {10.1039/c8pp00082d}, author = {Bisht, Rajesh and Singh, Saumya and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {44530, title = {Modulation of reactivity of singlet radical pair in continuous flow: photo-fries rearrangement}, journal = {Journal of Photochemistry and Photobiology A: Chemistry}, volume = {364}, year = {2018}, month = {JUN}, pages = { 316-321}, type = {Article}, abstract = {

Photo-Fries rearrangement of phenyl benzoate is studied using continuous flow for modulating the reactivity of singlet radical pair by changing the viscosity of the solvent. The effect of flow and proximity of the reactants with the light source on the reactivity of radical pair, formed from singlet excited state was investigated in details. In non-viscous solvent, the results from flow synthesis were comparable to batch reactor. In viscous solvents, selectivity of ortho- and para-isomers (o-/p- isomer) of the product could be controlled by changing viscosity as well as the flow rate. Using flow synthesis, ortho- and para-isomer ratio was obtained as high as 8.45 which are twice as compared to batch experiment with in fraction of residence time.

}, doi = {10.1016/j.jphotochem.2018.06.014}, author = {Karjule, Neeta and Sharma, Mrityunjay K. and Nithyanandhan, Jayaraj and Kulkarni, Amol} } @article {44531, title = {Molecular modeling studies and in vitro screening of dihydrorugosaflavonoid and its derivatives against mycobacterium tuberculosis}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {MAY}, pages = {10634-10643}, abstract = {

Novel drug regimens against tuberculosis (TB) are urgently needed and may be developed by targeting essential enzymes of Mtb that sustain the pathogenicity of tuberculosis. In the present investigation, series of compounds (5a-f and 6a-f) based on a naturally occurring rugosaflavonoid moiety were evaluated by in silico molecular modeling studies against -ketoacyl-ACP reductase (MabA) (PDB ID: IUZN) and pantothenate kinase (PanK) (PDB ID: ; 3AF3). Compounds 5a, 5c, 5d, and 6c, which had docking scores of -8.29, -8.36, -8.17 and -7.39 kcal mol(-1), respectively, displayed interactions with MabA that were better than those of isoniazid (-6.81 kcal mol(-1)). Similarly, compounds 5a, 5c, 5d, and 6c, which had docking scores of -7.55, -7.64, -7.40 and -6.7 kcal mol(-1), respectively, displayed interactions with PanK that were comparable to those of isoniazid (-7.64 kcal mol(-1)). Because of their docking scores, these compounds were screened in vitro against Mycobacterium tuberculosis H37Ra (Mtb) using an XRMA protocol. Among the screened compounds, the dihydrorugosaflavonoid derivatives 5a, 5c, and 5d had IC50 values of 12.93, 8.43 and 11.3 g mL(-1), respectively, and exhibited better inhibitory activity than the parent rugosaflavonoid derivatives. The rugosaflavonoid derivative 6c had an IC50 value of 17.57 g mL(-1). The synthesized compounds also displayed inhibitory activity against the Gram-positive bacteria Bacillus subtilis and Staphylococcus aureus. The present study will be helpful for the further development of these molecules into antitubercular lead candidates.

}, issn = {2046-2069}, doi = {10.1039/c8ra00636a}, author = {Puranik, Ninad V. and Srivastava, Pratibha and Swami, Sagar and Choudhari, Amit and Sarkar, Dhiman} } @article {44391, title = {Molecular view of CO2 capture by polyethylenimine: role of structural and dynamical heterogeneity}, journal = {Langmuir}, volume = {34}, year = {2018}, month = {MAY}, pages = {5138-5148}, abstract = {The molecular thermodynamics and kinetics of CO2 sorption in Polyethylenimine (PEI) melt have been investigated systematically using GCMC and MD simulations. We elucidate presence of significant structural and dynamic heterogeneity associated with the overall absorption process. CO2 adsorption in a PEI membrane shows a distinct two-stage process of a rapid CO2 adsorption at the interfaces (hundreds of picoseconds) followed by a significantly slower diffusion limited release toward the interior bulk regions of PEI melt (hundreds of nanoseconds to microseconds). The spatial heterogeneity of local structural features of the PEI chains lead to significantly heterogeneous absorption characterized by clustering and trapping of CO2 molecules that then lead to subdiffusive motion of CO2. In the complex interplay of interaction and entropy, the latter emerges out to be the major determining factor with significantly higher solubility of CO2 near the interfaces despite having lower density of binding amine groups. Regions having higher free-volume (entropically favorable) viz. interfaces, pores and loops demonstrate higher CO2 capture ability. Various local structural features of PEI conformations, for example, inter- and intrachain loops, pores of different radii, and di- or tricoordinated pores are explored for their effects on the varying CO2 adsorption abilities.}, doi = {10.1021/acs.langmuir.8b00204}, author = {Sharma, Pragati and Chakrabarty, Suman and Roy, Sudip and Kumar, Rajnish} } @article {44632, title = {Morphology and thermophysical properties of non-aqueous titania nanofluids}, journal = {Heat and Mass Transfer}, volume = {54}, year = {2018}, month = {SEP}, pages = {2645-2650}, abstract = {

This work deals with the experimental investigation on thermophysical properties of TiO2-nanofluids and characterization of morphology and structure of TiO2 nanoparticles. Non-aqueous liquids like silicone oil and ethylene glycol are used as base fluids to prepare the nanofluids. Thermophysical properties including viscosity and thermal conductivity of these nanofluids are measured at different concentrations and temperatures. Results showed that silicone oil-based TiO2 nanofluid is Newtonian and the viscosity of this nanofluid increases with the loading of nanoparticles but it decreases nonlinearly with increasing temperature. Existing viscosity models are found unable to predict the viscosity of nanofluids. Although the effective thermal conductivities of both the silicone oil and ethylene glycol-based nanofluids increased with the TiO2 concentration, their enhanced thermal conductivity was found to decrease with increasing temperature.

}, issn = {0947-7411}, doi = {10.1007/s00231-018-2308-4}, author = {Murshed, S. M. S. and Santos, F. J. V. and Nieto de Castro, C. A. and Patil, V. S. and Patil, K. R.} } @article {44534, title = {Multifunctional activated carbon with antimicrobial property derived from Delonix regia biomaterial for treatment of wastewater}, journal = {Journal of Environmental Chemical Engineering }, volume = {6}, year = {2018}, month = {FEB}, pages = {169-181}, abstract = {In this work, we report the development of a multifunctional high surface area activated carbon (DRP), from a biomaterial, Delonix regia, with antimicrobial potential and demonstrated its applicability towards removal of two reactive dyes, Reactive Red (RR-120) and Reactive Blue (RB-4) with an adsorption capacity of \~{}6.36 and 24 mg{\textperiodcentered}g-1 respectively. The newer multifunctional activated carbon was prepared from the deseeded pods of Delonix regia through thermo-chemical surface modification and characterized for surface and morphological characteristics, chemical composition, and thermal stability. DRP exhibited a high surface area of 1577 m2{\textperiodcentered}g-1 with various active functional groups. The decolourisation efficiency achieved was very high, \~{}98\% for both the dyes. The effects of various operating parameters like pH, initial dye concentration, adsorbent dosage, surfactant, salt etc. were investigated and the batch adsorption equilibrium data in each dye system was analyzed with various isotherms-Langmuir, Freundlich, and Tempkin. The kinetics of the adsorption process was best represented by pseudo-second order kinetic model and the adsorption efficiency was also illustrated in the binary system of varying dye compositions. DRP could successfully reduce the microbial growth of Gram positive B. subtilis with a higher zone of inhibition.}, doi = {10.1016/j.jece.2017.11.056}, author = {Louis, Mary R. and Sorokhaibam, Laxmi Gayatri and Bhandari, Vinay M. and Bundale, Sunita} } @article {44648, title = {Multi-step continuous flow synthesis of the cystic fibrosis medicine ivacaftor}, journal = {Reaction Chemistry \& Engineering}, volume = {3}, year = {2018}, month = {AUG}, pages = {520-526}, abstract = {

A continuous flow ozonolysis method combined with a multi-step flow sequence is developed for the synthesis of the drug ivacaftor for the first time. Safe ozonolysis, a continuous flow quadruple reaction to construct a quinolone scaffold, and inline extraction followed by continuous phase separation are the key features of the present work. The feasibility of using a continuous mixed flow reactor, commonly referred to as a continuous stirred tank reactor (CSTR), is also investigated for the relatively slow reaction step. The current integrated multi-step flow synthesis can produce 7.2 g of the drug ivacaftor per day on a laboratory scale, which is sufficient to treat 50 patients per day. The present route can also be used as a general route for the synthesis of other related drugs such as quinolone antibiotics.

}, issn = {2058-9883}, doi = {10.1039/c8re00025e}, author = {Vasudevan, N. and Sharma, Mrityunjay K. and Reddy, D. Srinivasa and Kulkarni, Amol A.} } @article {44653, title = {Multistimuli-responsive interconvertible low-molecular weight metallohydrogels and the in situ entrapment of CdS quantum dots therein}, journal = {Chemistry of Materials}, volume = {30}, year = {2018}, month = {JUL}, pages = {4755-4761}, abstract = {

Two low molecular weight metallohydrogels (ZALA and CALA) have been synthesized from an amino-acid based ligand precursor (LA) and two different metal salts [zinc acetate dihydrate (ZA) and cadmium acetate dihydrate (CA), respectively. These two hydrogels show a unique chemically stimulated interconversion to each other via a reversible gel-sol gel pathway. This programmable gel-sol reversible system satisfies logic operations of a basic Boolean logic (INHIBIT) gate. Also, these hydrogels can be degraded into different MOF phases at room temperature spontaneously or in the presence of chloride and bromide salts (NaCl and NaBr.). CdS quantum dots can be grown inside the CALA gel matrix (CdS@CALA) in the presence of small amount of Na2S. This CdS doped gel exhibits time dependent tunable emission (white to yellow to orange) as a consequence of a slow agglomeration process of the entrapped quantum dots inside the gel matrix. This luminescence property also reflects the corresponding gel derived MOFs (obtained either by self-degradation of CdS@CALA or via anion induction) as well. This, to the best of our knowledge, is probably the simplest way to make a CdS quantum dot based composite material where CdS is entrapped within the gel and the gel-derived MOF matrix.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.8b01698}, author = {Bera, Saibal and Chakraborty, Amit and Karak, Suvendu and Halder, Arjun and Chatterjee, Soumyajyoti and Saha, Subhadeep and Banerjee, Rahul} } @article {44185, title = {Naphthalene diimide copolymers by direct arylation polycondensation as highly stable supercapacitor electrode materials}, journal = {Macromolecules}, volume = {51}, year = {2018}, month = {FEB}, pages = {954-965}, type = {Article}, abstract = {

Conjugated donor-acceptor copolymers based on naphthalene diimide (NDI) as acceptor and thiopheneterminated oligophenylenevinylene as donor moieties (P-1 and P-2, respectively) were synthesized using the direct (hetero) arylation (DHAP) polymerization route. Nitrile groups were introduced at the vinylene linkage in one copolymer (P-2) to fine-tune its electrochemical properties. Both polymers show) pi-pi* transition in the 300-480 nm region and intramolecular charge transfer (ICT) from thiophene to NDI in the 500-800 nm region in the absorption spectra. P-2 exhibits a blue-shifted intramolecular charge transfer (ICT) band in the absorption spectrum as well as a lower reduction potential in the cyclic voltammogram compared to the analogous polymer without the nitrile substitution (P-1). The two polymers were evaluated as type III supercapacitor materials by preparing composite electrodes with carbon nanotubes (CNTs) and employing 0.5 M H2SO4 as the electrolyte. Their performance was compared with that of P(NDI2OD-T2) as a reference polymer. The polymer P-2 based supercapacitor exhibits a specific capacitance of 124 F/g with excellent stability up to 5000 cycles with almost 100\% retention of the initial capacitance in the potential window of -0.7 to 0.5 V. Compared to P-2, P-1 exhibits a specific capacitance of 84 F/g, while the corresponding value for the reference polymer P(NDI2OD-T2) is 61 F/g under identical conditions.

}, issn = {0024-9297}, doi = {10.1021/acs.macromol.7b02425}, author = {Sharma, Sandeep and Soni, Roby and Kurungot, Sreekumar and Asha, S. K.} } @article {45399, title = { A new class of N-doped ionic PAHs via intramolecular [4+2]-cycloaddition between arylpyridines and alkynes}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {OCT}, pages = {11909-11912}, type = {Article}, abstract = {Reported herein, for the first time, is a copper-promoted intramolecular [4+2]-cycloaddition cascade to access ionic N-doped polycyclic aromatic hydrocarbons (PAHs) with tunable emission wavelengths. It is shown that the reaction can be made catalytic with respect to Cu(OTf)(2) when an external oxidant, Selectfluor, was used.}, issn = { 1359-7345}, doi = {10.1039/c8cc05743e}, author = {Mule, Ravindra D. and Shaikh, Aslam C. and Gade, Amol B. and Patil, Nitin T.} } @article {45479, title = {Ni-catalyzed dehydrogenative coupling of primary and secondary alcohols with methyl-N-heteroaromatics}, journal = {Organic Chemistry Frontiers}, volume = {5}, year = {2018}, month = {NOV}, pages = {3250-3255}, type = {Article }, abstract = {Here we report the first base-metal catalyzed dehydrogenative coupling of primary (aromatic, heteroaromatic, and aliphatic) and secondary alcohols with methyl-N-heteroaromatics to form various C(sp(3))-alkylated N-heteroaromatics. The reaction is enabled by Earth abundant, non-precious NiBr2 as a transition metal catalyst and N,N,N,N-tetramethylethylenediamine (TMEDA) as a ligand system. Mechanistic studies reveal that a hydrogen auto-transfer process is involved in the direct C(sp(3))-alkylation and the reaction proceeds through an -olefination process.}, doi = {10.1039/c8qo00764k}, author = {Rana, Jagannath and Babu, Reshma and Subaramanian, Murugan and Balaraman, Ekambaram} } @article {45440, title = {Ni-Catalyzed dimerization and hydroperfluoroarylation of 1,3-dienes}, journal = {Journal of Organic Chemistry}, volume = { 83 }, year = {2018}, month = {AUG}, pages = {9267-9277}, type = {Article}, doi = {10.1021/acs.joc.8b01266}, author = {Iwasaki, Takanori and Min, Xin and Fukuoka, Asuka and Zhu, Longzhi and Qiu, Renhua and Yang, Tao and Ehara, Masahiro and Sudalai, Arumugam and Kambe, Nobuaki} } @article {45396, title = { Nickel-catalyzed regioselective C(2)-H difluoroalkylation of indoles with difluoroalkyl bromides}, journal = {Chemistry-An Asian Journal}, volume = {13}, year = {2018}, month = {SEP}, pages = {2516-2521}, type = {Article}, abstract = {Regioselective C(2)-H difluoroalkylation of C-3 unsubstituted indoles with commonly available fluoroalkyl bromides is successfully achieved employing a simple nickel catalyst system, (DME)NiCl2/Xantphos. This methodology shows excellent regioselectivity and exhibits a broad substrate scope. Various functional groups, such as -OMe, -F, and -Br, are tolerated on the indole backbone to give the difluoroalkylated products in moderate to good yields. Preliminary mechanistic findings demonstrate that the reaction is homogeneous in nature and involves a radical manifold. Synthetic utility of this nickel-catalyzed method is demonstrated by synthesizing melatonin receptor antagonist Luzindole derivative.}, doi = {10.1002/asia.201800504}, author = {Soni, Vineeta and Sharma, Dipesh M. and Punji, Benudhar} } @article {44537, title = {Ni(OH)(2)-Fe2O3/CNOs ternary nanocomposite designed as an anode with complementary properties for high-performance li-ion battery}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = {FEB}, pages = {2286-2292}, type = {Article }, abstract = {

Synthesis of the new ternary hybrid composite with excellent electrochemical performances for Li-ion battery is demonstrated. The ternary hybrid composite of Ni(OH)(2)-Fe2O3/Carbon Nano Onions (NFOC) is synthesized by using two-step solution phase method delivers a high reversible discharge capacity of 928 mAhg(-1) at 50 mAg(-1) and 673 mAhg(-1) at a higher current density of 1000 mAg(-1) with excellent rate performance. Additionally, it shows to have stable cycle life up to 1000 cycles with 96\% capacity retention and more than 99\% of coulombic efficiency. The synergetic effect between Ni(OH)(2), Fe2O3 and carbon nano onions (CNOs) as well as the unique feature of heterostructures are responsible for the improved electrochemical performance of the battery. The reversible reaction of Fe2O3 and Ni(OH)(2) with Li, maintains its long cycle life with higher reversible discharge capacity and CNOs improve the efficient electronic transfer, accommodate substantial volume expansion and maintain the structural integrity of the material during lithiation-delithiation process.

}, keywords = {Heterostructures, Long cycle stability, Superior rate capability, Ternary Composite, Transition metal oxides}, issn = {2365-6549}, doi = {10.1002/slct.201702779}, author = {Dwivedi, Pravin Kumari and Muniraj, Vedi Kuyil Azhagan and Devarapalli, Rami Reddy and Shelke, Manjusha V.} } @article {44597, title = {N-Methylation of isoDGR peptides: discovery of a selective alpha 5 beta 1-integrin ligand as a potent tumor imaging agent}, journal = {Journal of Medicinal Chemistry}, volume = {61}, year = {2018}, month = {MAR}, pages = {2490-2499}, type = {Article}, abstract = {

Specific targeting of the integrin subtype alpha 5 beta 1 possesses high potential in cancer diagnosis and therapy. Through sequential N-methylation, we successfully converted the biselective alpha 5 beta 1/alpha v beta 6 peptide c(phg-isoDGR-k) into a potent peptidic RGD binding aSfil subtype selective ligand c(phg-isoDGR-(NMe)k). Nuclear magnetic resonance spectroscopy and molecular modeling clarified the molecular basis of its improved selectivity profile. To demonstrate its potential in vivo, c(phg-isoDGR-(NMe)k) was trimerized with the chelator TRAP and used as a positron-emission tomography tracer for monitoring alpha 5 beta 1 integrin expression in a M21 mouse xenograft.

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.7b01752}, author = {Kapp, Tobias G. and Di Leva, Francesco Saverio and Notni, Johannes and Raeder, Andreas F. B. and Fottner, Maximilian and Reichart, Florian and Reich, Dominik and Wurzer, Alexander and Steiger, Katja and Novellino, Ettore and Marelli, Udaya Kiran and Wester, Hans-Juergen and Marinelli, Luciana and Kessler, Horst} } @article {45388, title = {Novel 2,4-dimethyl-5-((E)-3-phenyl-3-oxoprop-1-enyl)-1H-pyrrole-3-carboxylic acid derivatives: new leads in cancer and bacterial chemotherapy}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {SEP}, pages = {9571-9575}, type = {Article}, abstract = {

The efficiently designed and synthesized novel 2,4-dimethyl-5-((E)-3-phenyl-3-oxoprop-1-enyl)-1H-pyrrole-3-carboxylic acid derivatives has been described here which is encouraged by the anticancer activities associated with sunitinib and semaxanib. Synthesized compounds were characterized by (HNMR)-H-1, (CNMR)-C-13 and high-resolution mass spectrometry (HRMS). They are evaluated for invitro antiproliferative properties on cancer cell lines as well as antibacterial activity against gram-positive and gram-negative species. The bioassay results revealed that several compounds exhibit potential antiproliferation activity. Among them, the lead compound 2,2,2-trifluoroethyl 5-((E)-3-(3-fluoro-4-(trifluoromethyl)phenyl)-3-oxoprop-1-enyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (9g) showed the most potent anticancer activity against MDA-MB-231 and PC-3 cancer cell line with GI(50) values of 5.51 and 5.15 mu g/mL and subsequently more active than sunitinib (GI(50): 6.50 mu g/mL) against PC-3. Same compound 9g also exhibits the most potent antibacterial activity against gram-positive bacteria Bacillus subtilis and Staphylococcus aureus with IC50 of 1.44 and 1.54 mu g/mL. In silico prediction, shows that all seven potent compounds obeyed Lipinski rule for druglikeness. Structure-activity relationship (SAR) study reflect the activity enhance with electron withdrawing group on aryl ring and replacement of acid by its bioisosteres i.e. amide and ester group. These studies have successfully identified many newly synthesized compounds as potential anticancer as well as antibacterial agent for further development.

}, doi = {10.1002/slct.201801458}, author = {Rasal, Nishant K. and Sonawane, Rahul B. and Choudhari, Amit S. and Chakraborty, Shakti S. and Sarkar, Dhiman D. and Jagtap, Sangeeta, V.} } @article {44607, title = {Novel benzylidenehydrazide-1,2,3-triazole conjugates as antitubercular agents: synthesis and molecular docking}, journal = {Mini Reviews in Medicinal Chemistry}, volume = {18}, year = {2018}, month = {JUL}, abstract = {Novel 1,2,3-triazole based benzylidenehydrazide derivatives were synthesized and evaluated for antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra, M. bovis BCG and cytotoxic activity. Most of the derivatives exhibited promising in vitro potency against MTB characterized by lower MIC values. Among all the synthesized derivatives, compound 6a and 6j were the most active against active and dormant MTB H37Ra, respectively. Compound 6d was significantly active against dormant and active M. bovis BCG. The structure activity relationship has been explored on the basis of anti-tubercular activity data. The active compounds were also tested against THP-1, A549 and Panc-1 cell lines and showed no significant cytotoxicity. Further, the synthesized compounds were found to have potential antioxidant with IC50 range = 11.19-56.64 μg/mL. The molecular docking study of synthesized compounds was performed against DprE1 enzyme of MTB to understand the binding interactions. Moreover, synthesized compounds were also analysed for ADME properties and from all the experimental results, the potency of compounds indicate that, this series considered as starting point for the developement of novel and more potent anti-tubercular agents in future.}, doi = {10.2174/1389557518666180718124858}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar and Nawale, Laxman and Sarkar, Dhiman and Khan, Firoz A. Kalam and Sangshetti, Jaiprakash and Shingate, Bapurao B.} } @article {44387, title = {Novel red fluorescence protein based microplate assay for drug screening against dormant mycobacterium tuberculosis by using paraffin}, journal = {Tuberculosis}, volume = {110}, year = {2018}, month = {MAY}, pages = {15-19}, abstract = {

The hypoxia model of dormancy is widely used in drug screening programs to identify novel inhibitors against latent Mycobacterium tuberculosis disease. In earlier reported microplate assays, hypoxia was maintained by either sealing the microplate or shifting in an anaerobic chamber to develop dormant phenotype. In these assays, inhibitors were added during inoculation, which mainly represents the active stage inhibitors instead of the dormant ones. Herein, the culture was covered with paraffin to develop hypoxia condition and consequently providing the advantage of adding compounds at any stage during incubation of 96-well plate. The stable expression of the red fluorescent protein in the bacilli under both actively growing as well as dormant conditions also facilitate the reliable estimation of growth and inhibition kinetics of bacilli in medium. Furthermore, S/N ratio and Z{\textquoteright} factor of this assay were found to be \> 27 and 0.91-0.94 respectively, which confirm the robustness of the protocol. This newly developed drug-screening assay offers an easy, inexpensive, safe and high throughput-screening tool to search novel antitubercular inhibitors against both active and dormant bacilli. The red fluorescent H37Ra strain is a suitable surrogate for the more virulent H37Rv strain, and thus this effort will help in combating latent tuberculosis.

}, doi = {10.1016/j.tube.2018.02.008}, author = {Yeware, Amar and Sarkar, Dhiman} } @article {44364, title = {Novel synthesis of immobilized bronsted- acidic ionic liquid: application in lignin depolymerization}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = {MAY}, pages = {5461-5470}, type = {Article}, abstract = {Designing of efficient catalyst for the valorization of lignin is a topic of long neglect due to intrinsic properties of lignin. We show designing of an efficient, stable and recyclable Immobilized-Bronsted acidic ionic liquid (I-BAIL), which was further used as a solid acid catalyst for the depolymerization of lignin. The synthesized I-BAIL catalyst with sulfonic acid (-SO3H) groups was found to be stable until 250 degrees C and has 42.2 wt.\% loading of BAIL anchored on silica framework. The detailed characterization (elemental, Thermogravimetric analysis, Fourier transformation-infrared, Nuclear magnetic resonance) of catalyst disclosed formation of strong covalent bond between Si and carbon of BAIL, which in turn is responsible for achieving a stable catalyst. The catalyst could successfully depolymerize range of lignin substrates with high molecular weight (60000 Dalton) at 200(degrees)C in 1 h to achieve 90\% yield of tetrahydrofuran soluble products with good mass balance. The formation of products and correlation of products with lignin was achieved with the help of Nuclear magnetic resonance, gel permeation chromatography, gas chromatography, gas chromatography-mass spectrometry, high performance liquid chromatography etc.}, doi = {10.1002/slct.201703050}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {44363, title = {Nucleic aptamer modified porous reduced graphene oxide/MoS2 based electrodes for viral detection: application to human papillomavirus (HPV)}, journal = {Sensors and Actuators B-Chemical}, volume = {262}, year = {2018}, month = {JUN}, pages = {991-1000}, type = {Article}, abstract = {Next to graphene nanomaterials, molybdenum disulfide (MoS2) offers large surface area that can enhance its biosensing performance. In this work, we investigate the performance of glassy carbon (GC) electrodes modified successively with porous reduced graphene oxide (prGO) and molybdenum sulfide (MoS2) for the sensitive and selective detection of the L1-major capsid protein of human papilloma virus (HPV). Owing to the difficulties to perform serological assays and HPV culture efficiently, tools based on molecular recognition are becoming of great importance. We developed here an electrochemical sensor for HPV upon covalent functionalization of the electrode with an aptamer Sc5-c3, a RNA aptamer targeted against the HPV-16 L1 protein. Using differential pulse voltammetry (DPV) and an optimized sensor interface, a linear relationship between the peak current density of a redox couple such as [Fe(CN)6]4- and the concentration of HPV-16 L1 proteins in the range of 0.2-2 ng mL(-1) (3.5 pM-35.3 pM) could be reached with a detection limit of 0.1 ng mL(-1) (1.75 pM). Cross-reactivity studies demonstrated high selectivity over potential interfering species such as HPV-16 E6, opening new opportunities of the developed concept for the development of point of care devices. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.snb.2018.02.065}, author = {Chekin, Fereshteh and Bagga, Komal and Subramanian, Palaniappan and Jijie, Roxana and Singh, Santosh K. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {45361, title = { One pot ligand exchange method for a highly stable Au-SBA-15 catalyst and its room temperature CO oxidation}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {NOV}, pages = {12412-12415}, type = {Article}, abstract = {A modified deposition precipitation (DP) method has been developed to address a fundamental issue of supporting well dispersed Au nanoparticles on silica. Ammonium chloride (NH4Cl) plays an important role in in situ modifying the gold precursor (HAuCl(4)3H(2)O) solution allowing facile deposition of gold NPs in the channels of SBA-15. The Au-SBA-15 catalyst (2.8 wt\%) synthesized by this procedure showed 100\% conversion for CO oxidation at room temperature with excellent stability at room temperature and high temperature.}, issn = {1359-7345}, doi = {10.1039/c8cc06887a}, author = {Soni, Yogita and Kavya, I. and Ajithkumar, T. G. and Vinod, C. P.} } @article {44539, title = {One pot synthesis and biological evaluation of some new pyridine-3,5-dicarbonitrile derivatives}, journal = {ChemistrySelect }, volume = {3}, year = {2018}, month = {MAR}, pages = {3374-3378}, abstract = {

We have developed eco-friendly route for the synthesis of title compounds by using simple compounds like aromatic aldehydes, malononitrile, 4-bromothiophenol and NaHCO3. In continuation to this, a series of pyridine-3,5-dicarbonitriles were synthesized with excellent yields and assessed for their invitro antitubercular and antimicrobial activity. The results of the antimicrobial study showed potent antimicrobial activity as compared to the standard drugs (Chloramphenicol and Griseofulvin). It was noticed that the presence of electron donating groups significantly increases the antibacterial activity of the newly synthesized compounds. The title compounds further evaluated for antitubercular activity and from the promising results, they were found to possess significant biological activity against M. tuberculosis.

}, keywords = {3, 4-Arylpyridine, 5-dicarbonitriles, Antimicrobial, Antitubercular, Catalyst}, issn = {2365-6549}, doi = {10.1002/slct.201702116}, author = {Joshi, Hitendra and Shah, Nirav and Sakar, Dhiman and Desai, N. C. and Jadeja, Krunalsinh A.} } @article {44541, title = {One-pot cascade synthesis of 2-cyanoacrylamides via Sn-catalyzed acetic acid free selective monohydration of dinitrile}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAR}, pages = {3534-3538}, abstract = {

The simple, mild, novel and an efficient new protocol has been developed for the straightforward synthesis of 2-cyanoacrylamides. This is the first report in which Sn-catalyzed acetic acid free selective monohydration of dinitrile was achieved for a one pot cascade synthesis of 2-cyanoacrylamides in good to excellent yield via condensation of various aldehydes, heterocyclic aldehydes with malononitrile.

}, keywords = {2-cyanoacrylamides, Aldehyde, one pot, SnCl2 center dot 2H(2)O}, issn = {2365-6549}, doi = {10.1002/slct.201703171}, author = {Shaikh, Taufeekaslam M. Y. and Mulla, Shafeek A. R.} } @article {45531, title = {One-pot sequential bromination and fluorination to access 3-fluoroimidazo[1,2-a]pyridines from arylketones}, journal = {European Journal Of Organic Chemistry}, volume = {2018}, year = {2018}, month = {JUL}, pages = {3432-3436}, type = {Article}, abstract = {3-Fluoro-2-arylimidazo[1,2-a]pyridines were selectively synthesised in one-pot from acetophenones and 2-aminopyridines under mild conditions. The sequence of reactions involved bromination, condensation, and late-stage fluorination. Two halogenating reagents play key roles in the process. We found that tetrabutylammonium tribromide and SelectfluorTM gave excellent yields of the desired products in the one-pot sequential reaction. {\textcopyright} 2018 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim}, isbn = {1434193X}, doi = {10.1002/ejoc.201800578}, author = {Udavant, R. N. and Yadav, A. R. and Shinde, S. S.} } @article {44540, title = {One-dimensional porphyrin-fullerene (C60) assemblies: role of central metal ion in enhancing ambipolar mobility}, journal = {Chemistry - A European Journal }, volume = {24}, year = {2018}, month = {MAR}, abstract = {One-dimensional (1D) nanostructures of -conjugated molecules exhibiting excellent charge carrier mobilities have found much interest in organic electronic devices. Even though it is tedious to form such structures, the availability of highly delocalized electron and hole carriers in these donor (D)-acceptor (A) co-assemblies realize ambipolar charge transport. Here we report the successful demonstration of a simple solution casting method to create ambipolar donor-acceptor single crystalline assembly. 1D assemblies of 5,10,15,20-tetraphenylporphyrins (H2TPP, ZnTPP) and fullerene (C60) exhibit high ambipolar mobility in the range of 0.8-3.4 cm2/Vs for electrons and holes with high ON/OFF ratio and low threshold voltage. A direct experimental proof for the pivotal role of central Zn2+ in tetraphenyl porphyrin, which enables a strong D-A charge transfer interaction in the cocrystal and thereby induces electron (1.35 cm2/Vs), hole (3.42 cm2/Vs) mobilities, the highest reported for two component D-A assemblies using solution casting, is demonstrated.}, doi = {10.1002/chem.201800197}, author = {Goudappagouda and Gedda, Murali and Kulkarni, Giridhar U. and Sukumaran, Santhosh Babu} } @article {45559, title = {Optimization of pressure-Swing distillation by evolutionary techniques: separation of ethanol-water and acetonitrile-water mixtures}, journal = {Chemical Product and Process Modeling}, volume = {13}, year = {2018}, month = {JUN}, type = {Article}, abstract = {Complete separation can be achieved in selective homogeneous azeotropic mixtures by exploiting the pressure sensitive nature of the system. In the present work the optimal number of trays, feed location and reflux ratio for sequential column systems encountered in continuous pressure swing distillation (PSD) have been determined by use of two evolutionary techniques. Two industrially relevant systems: ethanol-water and acetonitrile-water have been considered. The Napthali-Sandholm model is solved to obtain the concentration and temperature profiles. The objective is to minimize the total cost using Genetic Algorithm (GA) and Differential Evolution (DE) for the two azeotropic systems. The techniques offer attractive features like applicability to discontinuous and non-differentiable search spaces.}, issn = {21946159}, doi = {10.1515/cppm-2017-0007}, author = {Adjay Sagar, A. and Rahman, I.} } @conference {47492, title = {Opto-electronic analysis of Cs2PdCl2Br4 Perovskites compounds for photovoltaic applications}, booktitle = {2018 International Conference and Utility Exhibition on Green Energy for Sustainable Development (ICUE)}, year = {2018}, month = {OCT}, publisher = {IEEE}, organization = {IEEE}, address = {Phuket, Thailand}, abstract = {In this paper, electronic and optical properties of Cs2PdCl2Br4 perovskite compound are presented using full potential linearized augmented plane wave (FP-LAPW) method. All computations are performed using most accurate modified Becke Johnson (mBJ) potential within density functional theory. Energy band computations are performed over here to elaborate relationship between energy and wave vector (k). Pattern of occurrence observed for energy bands are analyzed in terms of plotted total and partial density of states. For investigating optical behavior of Cs2PdCl2Br4, we have computed dielectric tensor, absorption spectra, reflectivity and refraction spectra using mBJ potential. Different peaks recorded in the imaginary components of dielectric tensor are interpreted in terms of interband transitions for better understanding. Significant absorption intensity available in desired energy range and suitable band gap indicates effective utilization of this compound in photovoltaic applications.}, doi = {10.23919/ICUE-GESD.2018.8635653}, author = {Soni, Amit and Sahariya, Jagrati and Bhamu, K. C. and Ahuja, Ushma} } @conference {45506, title = {Opto-electronic analysis of promising photovoltaic Cs2PdCl4Br2: An upcoming perovskite material}, booktitle = {WIECON-ECE 2017 - IEEE International WIE Conference on Electrical and Computer Engineering 2017}, year = {2018}, month = {SEP}, abstract = {

he metal halide perovskites are attracting much attention due to their potential applications in optoelectronic devices. Herein, we review and calculate a new avenue for Cs 2 PdCl 4 Br 2 perovskites by computing its electronic and optical properties to show its candidature in optoelectronics. For the computation of electronic and optical properties, we have used modified Becke Johnson approximation available in Wien2k code, based on full potential linearised augmented plane wave method. Investigated electronic and optical properties show that Cs 2 PdCl 4 Br 2 has the indirect band gap of 1.70 eV. The significant intense peaks in absorption spectra between energy range 2-3 eV reveals the utility of this compound in solar cells and other optoelectronic devices.

}, doi = { 10.1109/WIECON-ECE.2017.8468904}, author = {Sahariya, J. and Soni, A. and Bhamu, K. C.} } @article {45353, title = { Organic phase transmetallation approach for synthesis of hollow Ni-Au nanocomposites with tunable cavity size}, journal = {New Journal Of Chemistry}, volume = {42}, year = {2018}, month = {DEC}, pages = { 19615-19624}, type = {Article }, abstract = {

Ni-Au nanocomposites in the form of hollow spheres with controlled cavity size have been successfully synthesized by the transmetallation reaction between hydrophobized Ni nanoparticles and hydrophobized Au precursors. This can be considered as a fairly unique synthesis strategy that does not require any additional external reductants. The synthesis is carried out in a nonpolar solvent and precise tuning of the cavity size has been achieved only by varying the ratio of the two reacting components. A detailed characterization has been performed via UV-vis spectroscopy, XPS, TEM, EDAX, and SEM. The mechanistic aspect is established from FTIR. SQUID-VSM confirmed the magnificent superparamagnetism of the nanocomposites.

}, issn = {1144-0546}, doi = {10.1039/c8nj03668c}, author = {Sardar, Debasmita and Ahmed, Md Azaharuddin and Bandyopadhyay, Sudipta and Ghosalya, Manoj Kumar and Bala, Tanushree} } @article {44543, title = {Overexpression of mango alcohol dehydrogenase (MiADH1) mimics hypoxia in transgenic tomato and alters fruit flavor components}, journal = {Agri Gene}, volume = {7}, year = {2018}, month = {MAR}, pages = {23-33}, abstract = {Plant alcohols and aldehydes are produced by the action of alcohol dehydrogenases (ADH) and play an important role during fruit ripening and aroma production. Alcohols are not only produced in different tissues at different stages of plant development but are also products of the fermentative pathway which gets activated by different stresses, including hypoxia. The ADH gene is a well-established marker for hypoxic response as well as plant aroma. In a previous report we have identified and characterized three ADHs (MiADH1, 2, 3) from Dashehari mango. MiADH1 was found to be fruit specific and was upregulated by ethylene and ABA, suggesting a role in fruit aroma volatile production. In order to functionally characterize MiADH1, transgenic tomato plants were developed under the control of the constitutive (CaMV35S) promoter. Transgenic tomato fruit expressing MiADH1 gene showed a change in the levels of several alcohols and aldehydes related to flavor in comparison to the control. The change in aroma and volatiles compounds was more prominent during the ripe stage as compared to unripe and mid-ripe stages of tomato fruit. The transgenic tomato plants also produced adventitious roots. Our results suggest that the overexpression of MiADH1 in tomato plants induced the fermentative pathway in roots, and mimicked hypoxic response by development of adventitious roots from the stem as an adaptive mechanism.}, doi = {10.1016/j.aggene.2017.10.003}, author = {Singh, Rajesh Kumar and Srivastava, Smriti and Chidley, Hemangi and Nath, Pravendra and Sane, Vidhu A.} } @article {44544, title = {Overexpression of tryptophan decarboxylase and strictosidine synthase enhanced terpenoid indole alkaloid pathway activity and antineoplastic vinblastine biosynthesis in Catharanthus roseus}, journal = {Protoplasma}, volume = {255}, year = {2018}, month = {SEP}, pages = {1281-1294}, type = {Article}, abstract = {

Terpenoid indole alkaloid (TIA) biosynthetic pathway of Catharanthus roseus possesses the major attention in current metabolic engineering efforts being the sole source of highly expensive antineoplastic molecules vinblastine and vincristine. The entire TIA pathway is fairly known at biochemical and genetic levels except the pathway steps leading to biosynthesis of catharanthine and tabersonine. To increase the in-planta yield of these antineoplastic metabolites for the pharmaceutical and drug industry, extensive plant tissue culture-based studies were performed to provide alternative production systems. However, the strict spatiotemporal developmental regulation of TIA biosynthesis has restricted the utility of these cultures for large-scale production. Therefore, the present study was performed to enhance the metabolic flux of TIA pathway towards the biosynthesis of vinblastine by overexpressing two upstream TIA pathway genes, tryptophan decarboxylase (CrTDC) and strictosidine synthase (CrSTR), at whole plant levels in C. roseus. Whole plant transgenic of C. roseus was developed using Agrobacterium tumefaciens LBA1119 strain having CrTDC and CrSTR gene cassette. Developed transgenic lines demonstrated up to twofold enhanced total alkaloid production with maximum ninefold increase in vindoline and catharanthine, and fivefold increased vinblastine production. These lines recorded a maximum of 38-fold and 65-fold enhanced transcript levels of CrTDC and CrSTR genes, respectively.

}, doi = {10.1007/s00709-018-1233-1}, author = {Sharma, Abhishek and Verma, Priyanka and Mathur, Archana and Mathur, Ajay} } @article {45424, title = { Oxidant-free oxidative gold catalysis: the new paradigm in cross-coupling reactions}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {OCT}, pages = {11069-11083}, type = {Article}, abstract = {

The construction of C-C and C-X (X = hetero atom) bonds is the core aspect for the assembly of molecules. In this regard, late transition-metal-catalyzed cross-coupling reactions have retained their dominance for decades. Lately, gold catalysts have been emerging as a reliable contender for such transformations owing to the recent findings that reveal gold{\textquoteright}s potential beyond carbophilic -Lewis acid. The newfound ability of gold to undergo redox transformations under certain circumstances has allowed us to explore gold catalysts as a viable alternative to other late transition-metals for efficient construction of cross-coupled products. This feature article critically presents an overview of all the redox neutral cross-coupling reactions enabled by gold catalysis, which we believe would stimulate further research activities in this promising area.

}, isbn = {1359-7345}, doi = {10.1039/c8cc05601c}, author = {Akram, Manjur O. and Banerjee, Somsuvra and Saswade, Sagar S. and Bedi, Vaibhav and Patil, Nitin T.} } @article {45425, title = {Perspectives on leishmania species and stage-specific adaptive mechanisms}, journal = {Trends In Parasitology}, volume = {34}, year = {2018}, month = {DEC}, pages = {10.1016/j.pt.2018.09.004}, type = {Article}, abstract = {The hurdles in drug and vaccine development pipelines for leishmaniasis, a complex, multifaceted disease, are largely due to the digenetic lifecycle, differential clinical manifestations of the parasite, and the incomplete understanding of its adaptations within its hosts. Here, we discuss the distinct computational and experimental techniques employed to identify the species and stage-specific adaptive mechanisms at different levels of biological organization, the progress made so far, and limitations in comprehending leishmaniasis as a systems biology disease. Based on the available perspectives, we also provide suggestions and requirements to tackle the growing challenges for bridging the genotype with the phenotype. A systems perspective can be instrumental in understanding the complexities of the disease and can provide insights for targeted control.}, issn = { 1471-4922 }, doi = {10.1016/j.pt.2018.09.004}, author = {Subramanian, Abhishek and Sarkar, Ram Rup} } @article {45375, title = { Pharmaceutical standardization and physicochemical characterization of traditional ayurvedic marine drug: incinerated conch shell (shankha bhasma)}, journal = {Marine Drugs}, volume = {16}, year = {2018}, month = {NOV}, type = {Article}, abstract = {Natural resources such as plants, animals and minerals have always been used by mankind to develop drugs and marine world is no exception. Marine by-products like conches, pearls, mother of pearl shells, corals and so forth have been used by traditional Ayurvedic practitioners for centuries. The unique methods of these preparations are scientifically designed to eliminate unwanted impurities and convert them into bioavailable form. In this study, Conch (Xanchus pyrum) was used as a marine resource of calcium carbonate and was converted pharmaceutically from its aragonite form to calcite. All the steps of preparations and changes in the properties therein were documented and validated. Further, traditional as well as modern analytical tools were used to study its physical and chemical characters to develop a monograph. The physical characterization included particle size, X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Thermogravimetric Analysis (TGA) and Fourier Transform Infra-red (FTIR). Metal composition and heavy metal limits were determined using Inductively Coupled Plasma Optical Emission Spectrometry (ICPOES). This study revealed the rearrangement of aragonite crystals into calcite form by grinding, trituration with aloe vera juice and incineration under controlled conditions. Moreover, the finished product was found to be devoid of organic matrix that is nacre. This study creates a foundation for the development of a master formula for commonly used Shankha Bhasma in Ayurvedic medicines.}, issn = { 1660-3397}, doi = { 10.3390/md16110450}, author = {Chavan, Sandeep and Tayade, Sonali and Gupta, Vidya and Deshmukh, Vineeta and Sardeshmukh, Sadanand} } @article {44547, title = {Phase diagram of self-assembled sophorolipid morphologies from mesoscale simulations}, journal = {Journal of Molecular Liquids}, volume = {254}, year = {2018}, month = {MAR }, pages = {198-207}, abstract = {

We have constructed a phase diagram from the self-assembled morphologies of linolenic acid sophorolipid in water by performing mesoscale simulations in different concentrations. The dependence of morphologies and its properties of the self-assembled structure as a function of the concentration of bolaamphiphile in water are investigated. Two hydrophilic head groups and one hydrophobic tail group of bolaamphiphile have been mapped to beads for mesoscale simulation. The interaction parameters between different beads are calculated using Flory-Huggins solution theory. Flory-Huggins x-parameters have been calculated from atomistic simulation and experimental data of pure components constituting linolenic acid sophorolipid. We have obtained different self-assembled morphologies depending upon the concentrations of sophorolipid in water. We have explored the arrangements of hydrophobic and hydrophilic groups of the sophorolipid chains in the different morphologies. The sophorolipid chains found to be present in different structural arrangements. The residence time and flip frequency of these lipids in different orientations have been calculated and discussed in this work. (C) 2018 Elsevier B.V. All rights reserved.

}, keywords = {Bolaamphiphile, Flip frequency, Mesoscale simulation, Orientation of chains, Self-assembly}, issn = {0167-7322}, doi = {10.1016/j.molliq.2018.01.092}, author = {Sarkar, Sujit and Chakraborty, Souvik and Roy, Sudip} } @article {44205, title = {Phosphine-free cobalt pincer complex catalyzed Z-selective semi-hydrogenation of unbiased alkynes}, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {JAN}, pages = {428-433}, type = {Article}, abstract = {

Herein, we report a novel, molecularly defined NNN-type cobalt pincer complex catalyzed transfer semi-hydrogenation of unbiased alkynes to Z-selective alkenes. This unified process is highly stereo-and chemo-selective and exhibits a broad scope as well as wide functional group tolerance. Ammonia-borane (AB), a bench-stable substrate with high gravimetric hydrogen capacity, was used as a safe and practical transfer hydrogenating source.

}, issn = {2044-4753}, doi = {10.1039/c7cy01994g}, author = {Landge, Vinod G. and Pitchaimani, Jayaraman and Midya, Siba P. and Subaramanian, Murugan and Madhu, Vedichi and Balaraman, Ekambaram} } @article {45459, title = {Photocatalysis enabling acceptorless dehydrogenation of diaryl hydrazines at room temperature}, journal = {ACS Catalysis}, volume = {8}, year = {2018}, month = {AUG}, pages = {7727-7733}, type = {Article}, abstract = {

Aromatic azo compounds are privileged structural motifs, and they exhibit a myriad of pharmaceutical as well as industrial applications. Here, we report a catalytic acceptorless dehydrogenation of diarylhydrazine derivatives to access a wide variety of aryl-azo compounds with the removal of molecular hydrogen as the sole byproduct. This distinctive reactivity has been achieved under dual catalytic conditions by merging the visible-light active [Ru(bpy)(3)](2+) as the photoredox catalyst and Co(dmgH)(2)(py)Cl as the proton-reduction catalyst. The reaction proceeds smoothly under very mild and benign conditions and operates at ambient temperature. This dual catalytic approach is highly compatible with many different functional groups and has a broad substrate scope. We have also demonstrated the reversible hydrogen storage and release phenomenon on hydrazobenzene/azobenzene couple to show the utility of these compounds as hydrogen storage materials. Further diversification of azobenzene was shown by a transition metal-catalyzed azo-group-directed ortho-C-H bond functionalization.

}, keywords = {acceptorless dehydrogenation, Azo benzene, dual catalysis, Hydrogen, photoredox catalysis}, issn = {2155-5435}, doi = {10.1021/acscatal.8b01579}, author = {Sahoo, Manoj K. and Saravanakumar, Krishnasamy and Jaiswal, Garima and Balaraman, Ekambaram} } @article {44348, title = {Polycrystalline MnGe2 thin films on InAs(001) substrates}, journal = {Thin Solid Films}, volume = {657}, year = {2018}, month = {JUL}, pages = {38-41}, type = {Article}, abstract = {We report on the growth of MnGe2 thin films on InAs(001) substrates using radio frequency-magnetron cosputtering. Polycrystalline thin films were obtained at a substrate temperature of 353 K. X-ray diffractometry was used to identify the tetragonal MnGe2 phase (space group 14/mcm). Measurements of the magnetic field and temperature dependence of the magnetization revealed that the MnGe2 thin films are ferromagnetic with a magnetization of 280 kAm(-1) and a Curie temperature of 62 K. Additionally, an antiferromagnetic component is observed at low temperatures, which may arise atomic disorder at the grain boundaries between MnGe2 crystallites.}, doi = {10.1016/j.tsf.2018.05.007}, author = {Gutierrez-Naranjo, David and Holguin-Momaca, Jose T. and Solis-Canto, Oscar O. and Gupta, Preeti and Poddar, Pankaj and Espinosa Magana, Francisco and Olive-Mendez, Sion F.} } @article {44550, title = {Polysulfide-triggered fluorescent indicator suitable for super-resolution microscopy and application in imaging}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {APR}, pages = {3735-3738}, abstract = {

A new physiologically benign and cell membrane permeable BODIPY based molecular probe, MB-S-n, specifically senses intracellular hydrogen polysulfides (H2Sn, n \> 1) localized in the endoplasmic reticulum. This reagent is suitable for mapping the intracellular distribution of H2Sn by wide-field as well as super-resolution Structured Illumination Microscopy (SIM).

}, issn = {1359-7345}, doi = {10.1039/c8cc01332b}, author = {Hoskere, Anila A. and Sreedharan, Sreejesh and Ali, Firoj and Smythe, Carl G. and Thomas, Jim A. and Das, Amitava} } @article {45495, title = {Population genetic structure of banana corm weevil Cosmopolites sordidus (Germar) in India}, journal = {Journal of asia-pacific entomology}, volume = {21}, year = {2018}, month = {DEC}, pages = {1222-1232}, type = {Article}, abstract = {The population genetic structure of Cosmopolites sordidus (Germar), an economically important pest of bananas, was studied using the sequence data of the internal transcribed rDNA (ITS1+ITS2) and the mitochondrial {\textquoteleft}COI-tRNALeu-COII{\textquoteright} region from seventy nine individuals collected from six sampling locations in India. The ITS data revealed 70\% within population variation and non-significant genetic differentiation estimates suggesting lack of phylogeographic sub-structuring. 49\% within population variation and highly significant genetic differentiation values were obtained with the mitochondrial data. The Mantel test revealed lack of correlation between genetic and geographic distance with both the markers. Demographic expansion of the populations was confirmed by the star shaped haplotype networks, demographic tests and mismatch distribution curves using both the markers. Molecular diversity indices show a high haplotype diversity (Hd) but low nucleotide diversity (π) suggesting that the populations are closely related. Considering the low self-dispersal ability of the weevils, these results suggest that the range expansion of this banana pest in India has taken place mainly through transport of infested corms and plant material resulting in the weevils forming localised populations which are not genetically distinct from each other. The high gene diversity (Hd) has enabled the weevils to adapt to varying environmental conditions which could explain the range expansion of this pest in India. The observed discrepancy in the genetic differentiation estimates using these two markers can be attributed to the evolutionary dynamics of the nuclear and mitochondrial genomes.}, issn = {12268615}, doi = {10.1016/j.aspen.2018.08.013}, author = {Sunil Kumar, L. and Singh, J.} } @article {44552, title = {Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. Part 2: Application to the analysis of calcitonin containing pharmaceutical formulation}, journal = {Electrochimica Acta}, volume = {266}, year = {2018}, month = {MAR }, pages = {364-372}, abstract = {

In part 1 (A. Vasilescu et al., Porous reduced graphene oxide modified electrodes for the analysis of protein aggregation. Part 1: Lysozyme aggregation at pH 2 and 7.4 Electrochem. Acta, 254 (2017) 375 -383) we proposed porous reduced graphene oxide coated glassy carbon electrode (GC/prGO) in combination with differential pulse voltammetry as a new analytical tool for aggregation studies of proteins. Lysozyme was used as a model to follow its aggregation by electrochemical means at pH 2 and pH 7.4, leading to the formation of amyloid and amorphous aggregates, respectively. Part 2 of this work widens the scope of this approach by investigating a biopharmaceutical product, as the aggregation of peptide based drugs affects their therapeutic activity and can induce allergic reactions in patients. The salmon polypeptide calcitonin (sCT) was chosen as an example of a bioactive peptide with limited pharmaceutical potential due to a tendency to form cytotoxic aggregates and amyloid fibrils. For practical applications, screen printed electrodes (SPE) and flexible electrodes (FE) modified with polydiallyldimethylammonium (PDDA) and prGO by using the layer-by-layer deposition technique have been developed for the detection of sCT. The results indicate that these electrodes can differentiate between formation of amyloid aggregates of calcitonin (2 mg mL(-1)) in citrate buffer to no aggregation in acetate buffer. It was further demonstrated that these electrodes are able to analyze a pharmaceutical drug product of low potency, Miacalcic (8.3 mu g mL(-1)), where no aggregation was observed. (C) 2018 Elsevier Ltd. All rights reserved.

}, keywords = {Calcitonin, Disposable electrodes, Electrochemistry, Porous reduced graphene oxide, Protein aggregation}, issn = {0013-4686}, doi = {10.1016/j.electacta.2018.02.038}, author = {Vasilescu, Alina and Ye, Ran and Boulahneche, Samia and Lamraoui, Sabrina and Jijie, Roxana and Medjram, Mohamed Salah and Gaspar, Szilveszter and Singh, Santosh K. and Kurungot, Sreekumar and Melinte, Sorin and Boukherroub, Rabah and Szunerits, Sabine} } @article {44553, title = {Preparation of colourless phosphate glass by stabilising higher Fe[II] in microwave heating}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {APR}, pages = {6195}, abstract = {

Iron impurity in raw material remains a major challenge in producing colourless glass. In this investigation, we report microwave (MW) heating capable of altering Fe-redox ratio (Fe2+/Sigma Fe) enabling preparation of colourless phosphate glass. The effect of Sn concentration in retention of Fe[II] in glass melted in MW was compared with conventional glasses. Colourimetric study developing Fe2+-ferrozine colour complex reveals Fe-redox ratio \>= 0.49 required to obtain colourless phosphate glass. In microwave heating, addition of 1 wt.\% Sn metal powder can impart the desired effect whereas addition of 1.9 wt.\% Sn metal powder is required in conventional heating. The correlation equation of Fe-redox ratio with concentration of Sn metal is found to be different in microwave and conventional heating. Thus, exploiting this different redox changes in MW heating optical properties can be tailored. Preservation of higher Fe[II] in MW melted glass is also confirmed by XPS and TGA. P-31 MAS NMR spectra suggest that transition from cross linked ultra phosphate to linear polymer metaphosphate network in incorporation of Sn is found different in glass prepared adopting microwave irradiation. (27)A1 MAS NMR spectra suggest higher relative content of Al6+ in glass obtained from MW heating. Energy consumption analysis revels 3.4 kWh in MW heating while 14 kWh in conventional glass melting using resistance heating. Further, glass melting in MW can be completed within 2 h unlike similar to 5 h needed in conventional. MW heating plays a significant role in improving properties to make colourless phosphate glass in addition to significant energy and time saving.

}, issn = {2045-2322}, doi = {10.1038/s41598-018-24287-1}, author = {Mandal, Ashis K. and Mandal, B. and Illath, Kavya and Ajithkumar, T. G. and Halder, A. and Sinha, P. K. and Sen, Ranjan} } @article {44225, title = {Preparation of metal oxide supported catalysts and their utilization for understanding the effect of a support on the catalytic activity}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {JAN}, pages = {402-410}, type = {Article}, abstract = {

A convenient way of anchoring transition metal nanoparticles (palladium, platinum, rhodium and ruthenium) onto metal oxide supports (magnesium oxide and zirconium oxide) by means of a modified sol-gel technique is demonstrated. Use of toluene dispersed, ligand protected pre-synthesized nanoparticles during sol-gel synthesis delivered size-controlled, spatially distributed, well-adhered transition metal nanoparticles (MNPs) on metal oxide supports. The catalytic activities of these supported nanoparticles were tested for the p-nitro phenol reduction reaction. It was observed that the reaction kinetics were crucially dependent on the catalyst support and MNP size. The influence of the magnesium oxide and zirconium oxide supports towards the catalytic performance of the anchored transition MNPs was probed using cyclic voltammetry and the differences in the same were attributed to the support-induced modification in the electronic properties of the MNPs. Our results indicated that magnesium oxide is a better support than zirconium oxide.

}, issn = {1144-0546}, doi = {10.1039/c7nj03753h}, author = {Seth, Jhumur and Dubey, Prashant and Chaudhari, Vijay R. and Prasad, Bhagavatula L. V.} } @article {45466, title = {Prion-like propagation of post-translationally modified tau in alzheimer{\textquoteright}s disease: a hypothesis}, journal = {Journal of Molecular Neuroscience}, volume = {65}, year = {2018}, month = {AUG}, pages = {480-490}, type = {Review}, abstract = {

The microtubule-associated protein Tau plays a key role in the neuropathology of Alzheimer{\textquoteright}s disease by forming intracellular neurofibrillary tangles. Tau in the normal physiological condition helps stabilize microtubules and transport. Tau aggregates due to various gene mutations, intracellular insults and abnormal post-translational modifications, phosphorylation being the most important one. Other modifications which alter the function of Tau protein are glycation, nitration, acetylation, methylation, oxidation, etc. In addition to forming intracellular aggregates, Tau pathology might spread in a prion-like manner as revealed by several in vitro and in vivo studies. The possible mechanism of Tau spread can be via bulk endocytosis of misfolded Tau species. The recent studies elucidating this mechanism have mainly focussed on the aggregation and spread of repeat domain of Tau in the cell culture models. Further studies are needed to elucidate the prion-like propagation property of full-length Tau and its aggregates in a more intense manner in vitro as well as in vivo conditions. Varied post-translational modifications can have discrete effects on aggregation propensity of Tau as well as its propagation. Here, we review the prion-like properties of Tau and hypothesize the role of glycation in prion-like properties of Tau. This post-translationally modified Tau might have an enhanced propagation property due to differential properties conferred by the modifications.

}, keywords = {Alzheimer disease, Post-translational modifications of tau, Propagation of tau, Tau, Tauopathies}, issn = {0895-8696}, doi = {10.1007/s12031-018-1111-5}, author = {Sonawane, Shweta Kishor and Chinnathambi, Subashchandrabose} } @article {44554, title = {Proline-catalyzed asymmetric -amination in the synthesis of bioactive molecules}, journal = {Synlett}, volume = {29}, year = {2018}, month = {JUN}, pages = {1944-1956}, type = {Article}, abstract = {The direct -amination of carbonyl compounds using organocatalysts represents a powerful and atom-economical tool for asymmetric C-N bond formation. We describe a complete account of -functionalization of carbonyl compounds, through iterative sequential -aminoxylation/amination using electrophilic O and N sources, as well as sequential -amination/HWE reaction for enantio- and diastereoselective synthesis of both syn - and anti -1,3-aminoalcohols and 1,3-diamines. Additionally this protocol is further extended for the easy construction of alkaloids such as indolizidine, pyrrolizidine, and quinolizidine fused-ring systems just by tuning the chain length of the aldehyde used as a starting material. This methodology provides further scope to extrapolate it for a variety of naturally occurring hydroxylated monocyclic and fused bicyclic pyrrolidine and piperidine based alkaloids such as lentiginosine, epi -lentiginosine, dihydroxypyrrolizidine, (+)-deoxoprosophylline and (-)-deoxoprosopinine alkaloids. Furthermore, we have also uncovered proline-catalyzed anti -selectivity for the synthesis of 1,2-amino alcohols in -amination of aldehyde and one-pot indium-mediated Barbier type allylation of -hydrazino aldehydes to accomplish the total synthesis of clavaminols, sphinganine and spisulosine with reduced number of steps and with high overall yields. 1 Introduction 2 Application in the Total Synthesis of Alkaloids 3 Conclusion}, doi = {10.1055/s-0037-1610022}, author = {Kumar, Pradeep and Sharma, Brijesh M.} } @article {45383, title = {Proteomic study of endothelial dysfunction induced by Ages and its possible role in diabetic cardiovascular complications}, journal = {Journal of Proteomics }, volume = {187}, year = {2018}, month = {SEP}, pages = {69-79}, type = {Article}, abstract = {

Endothelial dysfunction is one of the primary steps in the development of diabetes associated cardiovascular diseases. Hyperglycemic condition in diabetes promotes accumulation of advanced glycation end products (AGEs) in the plasma, that interact with the receptor for AGEs (RAGE) present on the endothelial cells and negatively affect their function. Using Human umbilical vascular endothelial cells (HUVECs) in culture, the effect of glycated human serum albumin on global proteomic changes was studied by SWATH-MS, a label free quantitative proteomic approach. Out of the 1860 proteins identified, 161 showed higher abundance while 123 showed lesser abundance in cells treated with glycated HSA. Bioinformatic analysis revealed that the differentially regulated proteins were involved in various processes such as apoptosis, oxidative stress etc. that are associated with endothelial dysfunction. Furthermore, the iRegulon analysis and immunofuorescence studies indicated that several of the differentially regulated proteins were transcriptionally regulated by NF-kappa B, that is downstream to AGE-RAGE axis. Some of the important differentially regulated proteins include ICAM1, vWF, PAI-1 that affect important endothelial functions like cell adhesion and blood coagulation. qPCR analysis showed an increase in expression of the AGE receptor RAGE along with other genes involved in endothelial function. AGE treatment to HUVEC cells led to increased oxidative stress and apoptosis. This is the first proteomics study that provides insight into proteomic changes downstream to AGE-RAGE axis leading to endothelial dysfunction and predisposing to cardiovascular complications. Significance: Cardiovascular disease (CVD) is a major pathological outcome in diabetic patients and it is important to address ways that target its development before the onset. Elevated plasma AGEs in diabetes can affect endothelial function and can continue to show their effects even after blood glucose levels are back to normal. Since endothelial dysfunction acts as one of the initiating factors for the development of CVD, understanding how AGEs affect the endothelial cell proteome to cause dysfunction will provide insight into the mechanisms involved and aid designing new therapeutic approaches.

}, doi = {10.1016/j.jprot.2018.06.009}, author = {Banarjee, Reema and Sharma, Akshay and Bai, Shakuntala and Deshmukh, Arati and Kulkarni, Mahesh J.} } @article {45436, title = { Rational design of coumarin derivatives as antituberculosis agents}, journal = {Future Medicinal Chemistry}, volume = {10}, year = {2018}, month = {OCT}, pages = {2431-2444}, type = {Article}, abstract = {A series of coumarin derivatives was designed as potential antituberculosis agents. Results: The compounds were screened against active and dormant Mycobacterium tuberculosis (Mtb). Compounds 3k and 3n were found to have the most promising activity against replicating MtbH37Rv exhibiting minimum inhibitory concentration of 4.63 and 9.75 mu M respectively. The compounds were also effective against dormant MtbH37Rv exhibiting more potency than the standard drugs, isoniazid and rifampicin. The compounds were found to be non-cytotoxic against human cell lines. Conclusion: This study provides promising antituberculosis agents that are effective against replicating as well as dormant Mtb and can thus act as potential leads for further development. }, issn = {1756-8919}, doi = {10.4155/fmc-2018-0015}, author = {Mali, Hemlata M. and Sabale, Sandip S. and Degani, Mariam S. and Borkute, Rachana and Choudhari, Amit S. and Sarkar, Dhiman and Krishna, Vagolu Siva and Sriram, Dharmarajan} } @article {44373, title = {Rationally designed self-standing V2O5 electrode for high voltage non-aqueous all-solid-state symmetric (2.0 V) and asymmetric (2.8 V) supercapacitors}, journal = {Nanoscale}, volume = {10}, year = {2018}, month = {MAY}, pages = {8741-8751}, abstract = {The maximum capacitive potential window of certain pseudocapacitive materials cannot be accessed in aqueous electrolytes owing to the low dissociation potential of 1.2 V possessed by water molecules. However, the inferior pseudocapacitance exhibited by the commonly used electrode materials when integrated with non-aqueous electrolytes still remains a challenge in the development of supercapacitors (SC). Proper selection of materials for the electrode and a rational design process are indeed important to overcome these practical intricacies so that such systems can perform well with non-aqueous electrolytes. We address this challenge by fabricating a prototype all-solid-state device designed with high-capacitive V2O5 as the electrode material along with a Li-ion conducting organic electrolyte. V2O5 is synthesized on a pre-treated carbon-fibre paper by adopting an electrochemical deposition technique that effects an improved contact resistance. A judicious electrode preparation strategy makes it possible to overcome the constraints of the low ionic and electrical conductivities imposed by the electrolyte and electrode material, respectively. The device, assembled in a symmetrical fashion, achieves a high specific capacitance of 406 F g(-1) (at 1 A g(-1)). The profitable aspect of using an organic electrolyte is also demonstrated with an asymmetric configuration by using activated carbon as the positive and V2O5 as the negative electrode materials, respectively. The asymmetric device displays a wide working-voltage window of 2.8 V and delivers a high energy density of 102.68 W h kg(-1) at a power density of 1.49 kW kg(-1). Moreover, the low equivalent series resistance of 9.9 Omega and negligible charge transfer resistance are observed in the impedance spectra, which is a key factor that accounts for such an exemplary performance.}, doi = {10.1039/c8nr00805a}, author = {Ghosh, Meena and Vijayakumar, Vidyanand and Soni, Roby and Kurungot, Sreekumar} } @article {44218, title = {Realizing high capacitance and rate capability in polyaniline by enhancing the electrochemical surface area through induction of superhydrophilicity}, journal = {ACS Applied Materials \& Interfaces}, volume = {10}, year = {2018}, month = {JAN}, pages = {676-686}, type = {Article}, abstract = {

Polyaniline (PANI) as a pseudocapacitive material has very high theoretical capacitance of 2000 F g(-1). However, its practical capacitance has been limited by low electrochemical surface area (ESA) and unfavorable wettability toward aqueous electrolytes. This work deals with a strategy wherein the high ESA of PANI has been achieved by the induction of superhydrophilicity together with the alignment of PANI exclusively on the surface of carbon fibers as a thin layer to form a hybrid assembly. Superhydrophilicity is induced by electrochemical functionalization of the Toray carbon paper, which further induces superhydrophilicity to the electrodeposited PANI layer on the paper, thereby ensuring a high electrode-electrolyte interface. The Toray paper is electrochemically functionalized by the anodization method, which generates a highly active electrochemical surface as well as greater wettability (superhydrophilic) of the carbon fibers. Because of the strong interaction of anilinium chloride with the hydrophilic carbon surface, PANI is polymerized exclusively over the surface of the fibers without any appreciable aggregation or agglomeration of the polymer. The PANI-Toray paper assembly in the solid-state prototype supercapacitor can provide a high gravimetric capacitance of 1335 F g(-1) as well as a high areal capacitance of 1.3 F cm(-2) at a current density of 10 A g(-1). The device also exhibits high rate capability, delivering 1217 F g(-1) at a current density of 50 A g(-1) and a high energy density of 30 W h kg(-1) at a power density of 2 kW kg(-1).

}, keywords = {electrochemical active sulfate area, electrochemical functionalization, electropolymerization, polyaniline, supercapacitor, superhydrophilic}, issn = {1944-8244}, doi = {10.1021/acsami.7b15534}, author = {Soni, Roby and Kashyap, Varchaswal and Nagaraju, Divya and Kurungot, Sreekumar} } @article {45592, title = {Recursive orthogonal least squares based adaptive control of a polymerisation reactor}, journal = {Indian Chemical Engineer}, year = {2018}, month = {NOV}, type = {Article}, abstract = {A Nonlinear Internal Model Control (NIMC) scheme, based on a recursively updated Radial Basis Function Network (RBFN), is applied to control the nonlinear Polymerisation process. Recursive Orthogonal Least Squares (ROLS) algorithm recursively updates the weighting matrix of RBFN in real time, such that modelling errors are minimised. In addition to the ROLS based adaptive IMC, a non-adaptive IMC, based on the fixed Orthogonal Least Squares (OLS) algorithm and a normal PID controller are also applied to control the polymerisation process. The simulated results show the effectiveness of the ROLS based controller in terms of response time to step changes and disturbance rejection capabilities over the classical PID controller and the fixed OLS based IMC. Also, the proposed algorithm fits well in the IMC framework}, doi = {10.1080/00194506.2018.1545605}, author = {Tiwari, S. and Sawant, P. and Rahman, I.} } @article {44643, title = {Repeated photoporation with graphene quantum dots enables homogeneous labeling of live cells with extrinsic markers for fluorescence microscopy}, journal = {Light-Science \& Applications}, volume = {7}, year = {2018}, month = {AUG}, pages = {47}, abstract = {

In the replacement of genetic probes, there is increasing interest in labeling living cells with high-quality extrinsic labels, which avoid over-expression artifacts and are available in a wide spectral range. This calls for a broadly applicable technology that can deliver such labels unambiguously to the cytosol of living cells. Here, we demonstrate that nanoparticle-sensitized photoporation can be used to this end as an emerging intracellular delivery technique. We replace the traditionally used gold nanoparticles with graphene nanoparticles as photothermal sensitizers to permeabilize the cell membrane upon laser irradiation. We demonstrate that the enhanced thermal stability of graphene quantum dots allows the formation of multiple vapor nanobubbles upon irradiation with short laser pulses, allowing the delivery of a variety of extrinsic cell labels efficiently and homogeneously into live cells. We demonstrate high-quality time-lapse imaging with confocal, total internal reflection fluorescence (TIRF), and Airyscan super-resolution microscopy. As the entire procedure is readily compatible with fluorescence (super resolution) microscopy, photoporation with graphene quantum dots has the potential to become the long-awaited generic platform for controlled intracellular delivery of fluorescent labels for live-cell imaging.

}, issn = {2047-7538}, doi = {10.1038/s41377-018-0048-3}, author = {Liu, Jing and Xiong, Ranhua and Brans, Toon and Lippens, Saskia and Parthoens, Eef and Zanacchi, Francesca Cella and Magrassi, Raffaella and Singh, Santosh K. and Kurungot, Sreekumar and Szunerits, Sabine and Bove, Hannelore and Ameloot, Marcel and Fraire, Juan C. and Teirlinck, Eline and Samal, Sangram Keshari and De Rycke, Riet and Houthaeve, Gaelle and De Smedt, Stefaan C. and Boukherroub, Rabah and Braeckmans, Kevin} } @article {44560, title = {Revealing optoelectronic and transport properties of potential perovskites Cs2PdX6 (X = Cl, Br): A probe from density functional theory (DFT)}, journal = {Solar Energy}, volume = {162}, year = {2018}, month = {MAR }, pages = {336-343}, abstract = {

Metal-halide perovskites are rapidly emerging crystalline materials that are reasonably preferred as leading aspirant for applications in optoelectronic and thermoelectric devices. In this paper, we have thoroughly reviewed and performed calculations to reveal optoelectronic and transport properties for a potential newcomer, Cs2PdX6 (X = Cl, Br) termed as Cesium Palladium Halides (CPH). Outcome of present computations are compared with available results and a reasonable agreement is recorded. Energy band gap computations performed reveal indirect band gap of 2.29 eV for Cs2PdC16, which substantially reduces to 1.22 eV when {\textquoteleft}Cl{\textquoteright} is replaced by {\textquoteleft}Br{\textquoteright}. Optical absorption spectra investigations performed here, in the energy range from 3 to 5 eV confirms effective utilization of these compounds in solar cells and other optoelectronic applications. In addition, the transport properties computations performed using semi-classical Boltzmann theory, shows constant pattern of thereto power near ambient temperature range (200-500 K), which admits possible utilization of these compounds as low temperature thermoelectric materials. Performed ZT calculations demonstrates reasonably good thermoelectric performance for both materials, as there exist minor variation (0.1) in the values over wide temperature ranges i.e. from 100 to 800 K. Further, detailed analysis of transport properties predicts p-type semiconducting nature of the present series of materials.

}, keywords = {Ab-initio studies, Density functional theory, Optical properties, Transport properties}, issn = {0038-092X}, doi = {10.1016/j.solener.2018.01.059}, author = {Bhamu, K. C. and Soni, Amit and Sahariya, Jagrati} } @article {44562, title = {Reversible phase transformation phenomenon in titanium dioxide films: evidence beyond interface-nucleation and dissolution-precipitation kinetics}, journal = {Acta Materialia}, volume = {146}, year = {2018}, month = {MAR}, pages = {253-264}, abstract = {

The re-crystallization kinetics and rutile to anatase reversible phase transformation (PT) in nano crystalline titanium dioxide (TiO2) are reported. Initially, an amorphous TiO2 film is used for the present study and in situ isothermal annealing dependent nucleation and growth kinetics of anatase and rutile phase is studied at low temperature (similar to 523 K) and well explained using Johnson Mehl AvramiKolmogorov (JMAK) model. The anatase nanocrystallite (NCs) transformation into rutile phase is reported with isothermal annealing for longer time and temperature dependent annealing in lower temperature range 523 K-673 K and explained using interface-nucleation mechanism. Furthermore, the thermodynamic stability of rutile NCs and lattice stress-induced reversible PT in nano-sized rutile TiO2 are confirmed in moderate temperature range (623 K- 973 K) and well explained using x-ray diffraction, micro-Raman spectroscopy and near edge x-ray absorption fine structure spectroscopy studies. However, annealing at higher temperature (1123 K- 1323 K) induces the growth of anatase NCs and their natural transform into rutile phase are explained by well-known dissolution precipitation mechanism. Activation energy of rutile PT is quantified and found higher for dissolution-precipitation mechanism than that for interface nucleation at earlier stage. Thus, overall PT kinetics at different temperature range is well understood by invoking in three step mechanism: 1) early stage anatase-to-rutile transformation is dominated by interface-nucleation, II) then intermediate stage reversible rutile-to-anatase PT and, Ill) at later stages, anatase-to-rutile PT is controlled by dissolution precipitation mechanism. (C) 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Dissolution-precipitation kinetics, Interface-nucleation mechanism, Johnson-Mehl-Avrami-Kolmogorov (JMAK) approach, Reversible phase transformation}, issn = {1359-6454}, doi = {10.1016/j.actamat.2017.12.050}, author = {Gautam, Subodh K. and Singh, Jitendra and Shukla, D. K. and Pippel, E. and Poddar, P. and Singh, Fouran} } @article {44588, title = {Role of oxygen vacancies and interstitials on structural phase transition, grain growth, and optical properties of Ga doped TiO2}, journal = {Journal of Applied Physics}, volume = {123}, year = {2018}, month = {JUN}, pages = {Article Number: 245702}, abstract = {A systematic study on the effect of gallium (Ga) doping (0 <= x <= 0.10) on the structural phase transition and grain growth of TiO2 is reported here. X-ray diffraction spectroscopy and Raman spectroscopy confirm that Ga doping inhibits the phase transition. Activation energy increases from 125 kJ/mol (x = 0.00) to 300 kJ/mol (x = 0.10) upon Ga incorporation. X-ray photoelectron spectroscopy shows the presence of Ti3+/Ga3+ interstitials, substitution (Ti4+ by Ga3+), and oxygen vacancies in the samples. At lower doping (x <= 0.05), interstitials play a more significant role over substitution and oxygen vacancies, thereby resulting in a considerable lattice expansion. At higher doping (x >= 0.05), the effect of interstitials is compensated by both the effect of substitution and oxygen vacancies, thereby resulting in relatively lesser lattice expansion. Inhibition of the phase transition is the result of this lattice expansion. The crystallite size (anatase) and particle size (rutile) both are reduced due to Ga incorporation. It also modifies optical properties of pure TiO2 by increasing the bandgap (from 3.06 to 3.09 eV) and decreasing the Urbach energy (from 58.59 to 47.25 meV). This happens due to regularization of the lattice by the combined effect of substitution/ interstitials and oxygen vacancies. Published by AIP Publishing.}, doi = {10.1063/1.5027672}, author = {Khatun, Nasima and Tiwari, Saurabh and Vinod, C. P. and Tseng, Chuan-Ming and Liu, Shun Wei and Biring, Sajal and Sen, Somaditya} } @article {44565, title = {Role of palladium crystallite size on CO oxidation over CeZrO 4-δ supported Pd catalysts}, journal = {Journal of Molecular Catalysis }, volume = {455}, year = {2018}, month = {AUG}, abstract = {Photodeposited palladium on nanocrystalline CeZrO 4-δ support was evaluated for CO oxidation, as a function of particle size and pre-treatment. All the catalysts were well characterized by XRD, SEM, EDX, TEM, CO chemi-sorption and Raman spectroscopy. It was observed that change in photodeposition time alters the average crystallite size of Pd, and the same was confirmed by CO chemisorption. 7 nm average crystallite size of Pd exhibited excellent catalytic activity for CO oxidation. In order to understand the effect of support and metal-support interaction, 1 wt\% Pd was deposited deliberately onto reduced and oxidized CeZrO 4-δ support. The reduced support with anionic vacancies and more Ce 3+ species exhibited an improvement in CO oxidation at onset temperature. Detailed analysis shows that Pd-deposition occurs preferentially at oxygen-vacancy sites and subsequent metal-support interaction influences the catalysis.}, doi = {10.1016/j.mcat.2018.05.021}, author = {Burange, Anand S. and Reddy, Kasala Prabhakr and Gopinath, Chinnakonda and Shukla, Rakesh and Tyagi, Avesh K.} } @article {44190, title = {Rufinamide: crystal structure elucidation and solid state characterization}, journal = {Journal of Pharmaceutical and Biomedical Analysis}, volume = {149}, year = {2018}, month = {FEB}, pages = {185-192}, type = {Article}, abstract = {

Rufinamide (R) is a triazole derivative approved for the management of partial seizures and seizures associated with Lennox-Gastaut Syndrome, in November 2007. Crystal structure, solid state characterization, drug-excipient compatibility and solubility play a pivotal role in formulation development. This work deals with the crystal structure elucidation of R by single crystal X-ray diffraction and solid state characterization by thermal, spectroscopic and crystallographic techniques. Drug- excipient compatibility was assessed by differential scanning calorimetry (DSC). New RP-HPLC method for quantification of R was developed with improved retention time. Solubility and dissolution of drug in different media was determined. Additionally, the flow behavior of the drug was evaluated by measuring Carr{\textquoteright}s index and Hausner{\textquoteright}s ratio, while the compressibility behavior was studied using Well{\textquoteright}s protocol. R crystallized from dimethylformamide (R-DMF) was utilized for single crystal analysis. The drug crystallized in triclinic crystal system with P-1 space group. Asymmetric unit cell consists of two molecules of R held by intermolecular hydrogen bond (connected by N-H center dot center dot center dot O, which forms the catemeric chain). Analytical outcomes from DSC, thermogravimetric analysis (TGA) and powder X-ray diffraction (PXRD) revealed that the drug was present in pure crystalline form and was devoid of any polymorphic or pseudopolymorphic impurities. Influence of pH on the solubility and dissolution of R-DMF was found to be insignificant. The drug exhibited poor aqueous solubility, which was improved nearly 4.6 fold with the addition of 2\% sodium lauryl sulphate (SLS). The drug exhibits poor flow and elastic compression nature. Excipients such as poly ethylene glycol (PEG) 8000, SLS, lactose monohydrate, starch and Hydroxypropyl methylcellulose (HPMC) E15 were incompatible with R-DMF as identified by thermal analysis. It is envisaged that these information regarding solid state properties of R-DMF would aid in identifying a logical path for formulation development. (C) 2017 Elsevier B.V. All rights reserved.

}, keywords = {Compressibility, Dissolution media, DSC, HPLC method, solubility}, issn = {0731-7085}, doi = {10.1016/j.jpba.2017.11.003}, author = {Salunke, Nita and Thipparaboina, Rajesh and Chavan, Rahul B. and Lodagekar, Anurag and Mittapalli, Sudhir and Nangia, Ashwini and Shastri, Nalini R.} } @article {44217, title = {Ru(II)-functionalized SBA-15 as highly chemoselective, acid free and sustainable heterogeneous catalyst for acetalization of aldehydes and ketones}, journal = {Catalysis Communications}, volume = {104}, year = {2018}, month = {JAN}, pages = {62-66}, type = {Article}, abstract = {

Combining electron deficient Ru(II) coordination sites with organofunctionalized SBA-15, (L)Ru(Il)@SBA-15, result in a mild, neutral, water scavenger free and chemo-selective acetalization catalyst for cyclic/acyclic acetals. Vacant coordination sites of ruthenium in (L)Ru(II)@SBA-15 activates protecting groups as well as reactants simultaneously and restricts the reverse acetalization reaction. Synthesized (L)Ru(Il)@SBA-15 catalyst has been thoroughly characterized and act as competitive catalyst compared to conventional acid catalysts. (L) RuaD@SBA-15 performs high catalytic activity as well as selectivity within 20 min with high TOF. The catalyst can be recycled and reaction parameters are optimized.

}, keywords = {Acetalization reactions, Acid free, chemo-selective, heterogeneous catalyst, Reusable, Ru(II) immobilized SBA-15}, issn = {1566-7367}, doi = {10.1016/j.catcom.2017.10.016}, author = {Lazar, Anish and Betsy, K. J. and Vinod, C. P. and Singh, A. P.} } @article {44390, title = {Salts and salt cocrystals of the antibacterial drug pefloxacin}, journal = {Crystal Growth \& Design}, volume = {18}, year = {2018}, month = {MAY}, pages = {2824-2835}, abstract = {Pefloxacin (PEF) is an amphoteric, antibacterial drug which exists as a neutral molecule in the crystal structure stabilized by C-H center dot center dot center dot O and C-H center dot center dot center dot F interactions. The design of multicomponent solids using crystal engineering was undertaken in a cocrystal/salt screen of PEF with generally recognized as safe (GRAS) dicarboxylic acids to improve the solubility and phase stability of the drug. Ten multicomponent forms, namely, five salts, two salt hydrates, and three salt cocrystals, were prepared by liquid-assisted grinding followed by crystallization. In some cases, salt and salt cocrystals were obtained concomitantly during solution evaporative crystallization. Single crystal X-ray diffraction showed that the structures are stabilized by N+-H center dot center dot center dot O-, O-H center dot center dot center dot O, C-H center dot center dot center dot O, C-H center dot center dot center dot F, and pi-pi stacking interactions. The bulk phase purity of multicomponent forms was characterized by powder X-ray diffraction, spectroscopy, and thermal techniques. The salt/salt cocrystal forms exhibit a faster dissolution rate and higher solubility compared to pure PEF in pH 1.2 (acidic, like gastric environment) and pH 7 phosphate buffer media (neutral, like intestinal passage). Specifically the PEF+-SA(-) salt (SA = succinic acid) showed remarkably high solubility, dissolution rate, and stability compared to the other multicomponent forms and PEF neutral form. The drug formulation compatible pefloxacin succinate is a promising soluble and stable PEF salt.}, doi = {10.1021/acs.cgd.7b01600}, author = {Gunnam, Anilkumar and Suresh, Kuthuru and Nangia, Ashwini} } @article {44392, title = {Selective N-acetylation with concurrent S-oxidation of o-amino thiol at ambient conditions over Ce doped ZnO composite nanocrystallites}, journal = {Molecular Catalysis}, volume = {450}, year = {2018}, month = {MAY}, pages = {19-28}, abstract = {The oxidative S-S coupling of thiol to disulfide is an imperative chemical transformation in the domain of biological processes and also finds numerous chemical applications. The CeO2 and ZnO are significant catalysts for oxidation of thiol to disulfide and N-acetylation of amines respectively. Dithiobis(phenylene)bis(benzyldeneimine) moiety containing N-acetyl and disulfide functional groups is a potential antimicrobial agent with Leishmanicidal and antihyperlipidemic activities. Herein, we report a synchronized catalytic application of Ce doped ZnO (Ce-ZnO) and CeO2-Ce-ZnO composites for selective synthesis of Dithiobis(phenylene)bis(benzyldeneimine) from o-amino thiol. The Ce-ZnO samples were synthesized by simple co precipitation method by calcination of hydroxide precursors at 400 degrees C to get 0-10\% Ce-ZnO nanocrystallites. The formation of CeO2-Ce-ZnO composite material was observed beyond 1.5\% Ce concentration. The synthesized materials were well characterized by IR, XRD, DRS spectroscopy and SEM-EDS analysis. The application of Ce doped ZnO as an efficient catalyst towards the selective N-acetylation and concurrent S-oxidation of o-amino thiol to afford Dithiobis(phenylene)bis(benzyldeneimine) at ambient temperature in acetonitrile was deliberated. Among all screened catalysts, the maximum selectivity was found for 7.5\% Ce-ZnO as CeO2-Ce-ZnO composite catalyst. Lewis acidic property of catalyst supported probable mechanism for achieved dual transformations. Also, the 7.5\% Ce-ZnO catalyst has demonstrated a versatile S-S coupling ability for variety of thiol substrates with excellent stability.}, doi = {10.1016/j.mcat.2018.03.007}, author = {Jagtap, Rohidas and Sakate, Sachin and Pardeshi, Satish} } @article {44362, title = {Sensitive electrochemical detection of cardiac troponin I in serum and saliva by nitrogen-doped porous reduced graphene oxide electrode}, journal = {Sensors and Actuators B-Chemical}, volume = {262}, year = {2018}, month = {JUN}, pages = {180-187}, type = {Article}, abstract = {Cardiovascular diseases pose one of the highest mortality risks among all diseases in developed countries, steadily increasing the burden on the health systems. Early diagnosis of cardiovascular diseases has consequently become highly important to decrease mortality and to use more adapted therapeutic decisions. We demonstrate here the utility of nitrogen-doped reduced graphene oxide (N-prGO) for detecting and quantifying of cardiac troponin I (cTnI), a key human cardiac protein biomarker, under physiologically relevant conditions. Non-covalent modification of N-prGO by 1-pyrenecarboxylic acid (py-COOH) and poly(ethylene glycol) modified pyrene (py-PEG) ligands allowed the covalent integration of Tro4 aptamer, known for its high selectivity towards cTnI. Using differential pulse voltammetry (DPV), a label-free electrochemical sensor for cTnI for concentrations down to 1 pgmL(-1) in human serum could be obtained. This sensitive detection arises from the integration of a porous nanomaterial with excellent electrochemical properties being easily amendable to site-specific surface modification. (C) 2018 Elsevier B.V. All rights reserved.}, doi = {10.1016/j.snb.2018.01.215}, author = {Chekin, Fereshteh and Vasilescu, Alina and Jijie, Roxana and Singh, Santosh K. and Kurungot, Sreekumar and Iancu, Madalina and Badea, Gabriela and Boukherroub, Rabah and Szunerits, Sabine} } @article {44336, title = {Sensitizing with short conjugated molecules: multimodal anchoring on ZnO nanoparticles for enhanced electron transfer characteristics, stability and H-2 evolution}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {89-97}, type = {Article}, abstract = {Sensitizing semiconductors with organic dyes is usually employed to improve efficiency of semiconductors towards visible light absorption and charge transport. However, till date most of the dyes are either noble metal based with complex and expensive synthesis procedure or have a very narrow absorption band. Further the photostability of the dyes is another important issue. In this work we have studied, using a combination of photophysical and computational methods, ZnO nanoparticles sensitized with transition metal free, cheap and easy to synthesize azoquinoline dye that has been designed to have multiple chelating sites, viz., carboxylic group and hydroxyl imine group as a photocatalyst for water splitting activity. We find that the presence of multiple chelating sites facilitates dual mode of anchoring on ZnO nanoparticles, which leads to enhanced photostability and H-2 generation of the composite. This is attributed to the incorporation of resonance features in the dye that increases electron transfer between ZnO and dye in contrast to the charge accumulation and photo degradation observed in non-conjugated and single site anchoring counterparts. Electron transfer from ZnO to dye under UV light and reverse in visible light could be identified experimentally. Such simple designing aspects can aid in identifying better catalysts for photocatalytic water splitting.}, doi = {10.1016/j.cattod.2017.09.052}, author = {George, Leena and Sappati, Subrahmanyam and Ghosh, Prasenjit and Devi, R. Nandini} } @article {44636, title = {Serum responsive proteome reveals correlation between oxidative phosphorylation and morphogenesis in Candida albicans ATCC10231}, journal = {Journal of Proteomics}, volume = {185}, year = {2018}, month = {AUG}, pages = {25-38}, abstract = {

To understand the impact of fetal bovine serum (FBS) on metabolism and cellular architecture in addition to morphogenesis, we have identified FBS responsive proteome of Candida albicans. FBS induced 34\% hyphae and 60\% pseudohyphae in C. albicans at 30 C while 98\% hyphae at 37 C. LC-MS/MS analysis revealed that 285 proteins modulated significantly in response to FBS at 30 degrees C and 37 degrees C. Out of which 152 were upregulated and 62 were downregulated at 30 degrees C while 18 were up and 53 were downregulated at 37 degrees C. Functional annotation suggests that FBS may inhibit glycolysis and fermentative pathway and enhance oxidative phosphorylation (OxPhos), TCA cycle, amino acid and fatty acid metabolism indicating a use of alternative energy source by C. albicans. OxPhos inhibition assay using sodium azide corroborated the correlation between inhibition of glycolysis and enhanced OxPhos with pseudohyphae formation. C. albicans induced hyphae in response to FBS irrespective of down regulation of Rasl,Asrl/Asr2, indicates the possible involvement of MAPK and cAMP-PKA independent pathway. The Cell wall of cells grown in presence of FBS at 30 degrees C was rich in mannan, Beta 1,3glucan and chitin while membranes were rich in ergosterol compared to those grown at 37 degrees C. Significance of the study: This is the first study suggesting a correlation between OxPhos and morphogenesis especially pseudohyphae formation in C. albicans. Our data also indicate that fetal bovine serum (FBS) induced morphogenesis is multifactorial and may involve MAPK and cAMP-PKA independent pathway. In addition to morphogenesis, our study provides an insight in to the modulation of metabolism and cellular architecture of C. albicans in response to FBS.

}, keywords = {analysis, Candida albicans, Fetal bovin serum, Liquid chromatography mass spectrometry, morphogenesis, Oxidative phosphorylation, pathogenicity}, issn = {1874-3919}, doi = {10.1016/j.jprot.2018.06.018}, author = {Ahmed, Radfan and Kodgire, Santosh and Santhakumari, B. and Patil, Rajendra and Kulkarni, Mahesh J. and Zore, Gajanan} } @article {44367, title = {Silicon-fluorine chemistry: from the preparation of SiF2 to C-F bond activation using silylenes and its heavier congeners}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {MAY}, pages = {5046-5057}, type = {Article}, abstract = {This feature article is intended to provide a background to the history of the isolation of silicon(II) fluorides and the different synthetic methodologies used to generate them. Although first detected in the 1970s, the chemistry of silicon(II) fluorides has not encountered serious research efforts for a rather long period of time. This is somewhat surprising given the fact that the chemistry of compounds with divalent silicon has undergone a renaissance during last three decades. Recently, the interest in silicon(II) fluorides have been resparked with tremendous progress being achieved in this area, in particular, with respect to their synthesis and structural characterisation. The successful isolation of cyclic alkyl amino carbene (cAAC) stabilized silicon difluoride has completed the classic progression of SiF2, from a transient intermediate to spectroscopically detected molecule to a stable compound. The related germanium(II), tin(II), and lead(II) fluoride chemistry will also be discussed. Apart from the isolation of tetrel(II) fluorides, the use of compounds with low valent group 14 elements for the selective activation and functionalisation of C-F bonds has witnessed some remarkable advances, which will also be summarized in this feature article.}, doi = {10.1039/c8cc01816b}, author = {Sen, Sakya S. and Roesky, Herbert W.} } @article {44622, title = {Silk cocoon as counter - electrode substrate in dye - sensitized solar cells}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {JUL}, pages = {7195-7199}, abstract = {

Electrodes are vital components of energy conversion devices such as dye sensitized solar cells (DSSCs). The widely used electrodes consist of fluorine doped tin oxide (FTO) and platinum. We were interested in identifying a substrate that is available from natural resources and exhibit performance comparable to that of Pt coated FTO (Pt-FTO). Silk fibers are naturally available and they are mechanically stable. The woven silk fibers are known as silk cocoons (SCs) that structurally resemble widely used carbon paper electrodes. To impart conductivity to the insulating SCs, metal film was coated by an electroless metal plating procedure using polyphenols from green tea. The metal coated SCs were conformaly coated with a conjugated polymer and these electrodes were used as flexible electrodes in DSSCs. The flexible electrode based DSSCs exhibited a power conversion efficiency of 7.2\% which is comparable to that of the DSSCs with rigid Pt-FTO based devices (7.4\%).

}, keywords = {counter electrode, PEDOT-G-SCs, Recombination, Silk cocoons (SCs)}, issn = {2365-6549}, doi = {10.1002/slct.201800856}, author = {Sudhakar, Vediappan and Das, Chayanika and Krishnamoorthy, Kothandam} } @article {44380, title = {Silk fibroin micro-particle scaffolds with superior compression modulus and slow bioresorption for effective bone regeneration}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {MAY}, pages = {Article Number: 7235}, abstract = {Silk fibroin (SF), a natural polymer produced by Bombyx mori silkworms, has been extensively explored to prepare porous scaffolds for tissue engineering applications. Here, we demonstrate, a scaffold made of SF, which exhibits compression modulus comparable to natural cancellous bone while retaining the appropriate porosities and interconnected pore architecture. The scaffolds also exhibit high resistance to in-vitro proteolytic degradation due to the dominant beta sheet conformation of the SF protein. Additionally, the scaffolds are prepared using a simple method of microparticle aggregation. We also demonstrate, for the first time, a method to prepare SF micro-particles using a Hexafluoroisopropanol-Methanol solvent-coagulant combination. SF microparticles obtained using this method are monodisperse, spherical, non-porous and extremely crystalline. These micro-particles have been further aggregated together to form a 3D scaffold. The aggregation is achieved by random packing of these microparticles and fusing them together using a dilute SF solution. Preliminary in-vitro cell culture and in-vivo implantation studies demonstrate that the scaffolds are biocompatible and they exhibit the appropriate early markers, making them promising candidates for bone regeneration.}, doi = {10.1038/s41598-018-25643-x}, author = {Nisal, Anuya and Sayyad, Raeesa and Dhavale, Prachi and Khude, Bhakti and Deshpande, Rucha and Mapare, Vidhyashri and Shukla, Swati and Venugopalan, Premnath} } @article {44572, title = {Single-particle tracking to probe the local environment in ice-templated crosslinked colloidal assemblies}, journal = {Langmuir}, volume = {34}, year = {2018}, month = {APR}, pages = {4603{\textendash}4613}, type = {Article}, abstract = {

We use single-particle tracking to investigate colloidal dynamics in hybrid assemblies comprising colloids enmeshed in a crosslinked polymer network. These assemblies are prepared using ice templating and are macroporous monolithic structures. We investigate microstructure-property relations in assemblies that appear chemically identical but show qualitatively different mechanical response. Specifically, we contrast elastic assemblies that can recover from large compressive deformations with plastic assemblies that fail on being compressed. Particle tracking provides insights into the microstructural differences that underlie the different mechanical response of elastic and plastic assemblies. Since colloidal motions in these assemblies are sluggish, particle tracking is especially sensitive to imaging artifacts such as stage drift. We demonstrate that the use of wavelet transforms applied to trajectories of probe particles from fluorescence microscopy eliminates stage drift, allowing a spatial resolution of about 2 nm. In elastic and plastic scaffolds, probe particles are surrounded by other particles{\textemdash}thus, their motion is caged. We present mean square displacement and van Hove distributions for particle motions and demonstrate that plastic assemblies are characterized by significantly larger spatial heterogeneity when compared with the elastic sponges. In elastic assemblies, particle diffusivities are peaked around a mean value, whereas in plastic assemblies, there is a wide distribution of diffusivities with no clear peak. Both elastic and plastic assemblies show a frequency independent solid modulus from particle tracking microrheology. Here too, there is a much wider distribution of modulus values for plastic scaffolds as compared to elastic, in contrast to bulk rheological measurements where both assemblies exhibit a similar response. We interpret our results in terms of the spatial distribution of crosslinks in the polymer mesh in the colloidal assemblies.

}, issn = {7437463}, doi = {0.1021/acs.langmuir.7b04120}, author = {Suresh, Karthika and Sharma, D. K. and Chulliyil, Ramya and Sarode, Ketan Dinkar and Kumar, V. Ravi and Choudhary, Arindam and Kumaraswamy, Guruswamy} } @article {44371, title = {Soluble polybenzimidazoles with intrinsic porosity: synthesis, structure, properties and processability}, journal = {56Journal of Polymer Science Part A-Polymer Chemistry}, volume = {56}, year = {2018}, month = {MAY}, pages = {1046-1057}, type = {Article}, abstract = {We have explored two novel comonomers, namely, 4,16-dicarboxyl[2.2]paracyclophane and 5,5,6,6-tetraamino-3,3,3,3-tetramethyl-1,1-spirobi[indane], for the synthesis of co-polybenzimidazoles (co-PBIs) with intrinsic porosity. Both these monomers possess twisted structures that can lead to awkward macromolecular shapes that cannot pack efficiently. The consequences of introducing these two monomers on the structure and properties of PBIs are reported. The random copolymers synthesized are amorphous and possess glass transition temperatures (T(g)s) greater than 400 degrees C. T-g decreases with increasing comonomer content indicating an increase in fractional free volume. The copolymers have low surface area. TEM and BET measurements show evidence of mesopore formation. The copolymers show significant carbon dioxide adsorption. Single chain molecular dynamics simulation of 24-mer repeat units shows intramolecular void spaces arising as a result of distorted polymer chain with reduced conformational mobility. These studies define a new synthetic strategy for bottoms-up synthesis of PBIs with intrinsic porosity. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 1046-1057}, doi = {10.1002/pola.28979}, author = {Kumar, Vikas and Chatterjee, Shyambo and Sharma, Pragati and Chakrabarty, Suman and Avadhani, Chilukuri V. and Sivaram, Swaminathan} } @article {44236, title = {Solvent degradation studies using hydrodynamic cavitation}, journal = {Environmental Progress \& Sustainable Energy}, volume = {37}, year = {2018}, month = {JAN}, pages = {295-304}, type = {Article}, abstract = {

Hydrodynamic cavitation for the degradation of organic solvents was investigated in detail using a newer form of cavitating device-vortex diode. The results were also compared with that using conventional cavitating device orifice. Removal of three different organic solventsacetone, methyl ethyl ketone (MEK), and toluene were studied on a pilot plant with capacity of 1m(3)/h. The effect of different operating parameters such as inlet pressure, initial concentration, and reactor type on the degradation rate of solvent was investigated in detail. The results revealed that efficiency of solvent removal varies substantially with the change in physical operating conditions and nature of the solvent. It was found that up to 80\% degradation could be achieved for toluene (cavitational yield 32.2 x 10(-3) mg/J), substantially higher than that for acetone and MEK indicating the effect of molecular weight/structure in the degradation process. Further, the results clearly indicated chemical oxidation as a predominant mechanism for degradation and not physical destruction. Vortex diode that works on the principle of vortex generation for cavitation, was found to be far superior over conventional cavitating device-orifice- approximate to up to eight times higher cavitational yield could be obtained for toluene as compared to orifice. The results of this study provide newer insight into solvent removal using hydrodynamic cavitation and would have bearing on the treatment of solvent containing wastewaters. (C) 2017 American Institute of Chemical Engineers

}, keywords = {Effluent treatment, industry, pollution, Vortex diode, wastewater}, issn = {1944-7442}, doi = {10.1002/ep.12674}, author = {Suryawanshi, Pravin G. and Bhandari, Vinay M. and Sorokhaibam, Laxmi Gayatri and Ruparelia, Jayesh P. and Ranade, Vivek V.} } @article {45402, title = {Spatial-temporal spectroscopy characterizations and electronic structure of methylammonium perovskites}, journal = {MRS Communications}, volume = {8}, year = {2018}, month = {SEP}, pages = {961-969}, type = {Article}, abstract = {

Using time-resolved laser-scanning confocal microscopy and ultrafast optical pump/THz probe spectroscopy, we measure photoluminescence (PL) and THz-conductivity in perovskite micro-crystals and films. PL quenching and lifetime variations occur from local heterogeneity. Ultrafast THz-spectra measure sharp quantum transitions from excitonic Rydberg states, providing weakly bound excitons with a binding energy of similar to 13.5 meV at low temperatures. Ab-initio electronic structure calculations give a direct band gap of 1.64 eV, a dielectric constant of similar to 18, heavy electrons, and light holes, resulting in weakly bound excitons, consistent with the binding energies from the experiment. The complementary spectroscopy and simulations reveal fundamental insights into perovskite light-matter interactions.

}, doi = {10.1557/mrc.2018.114}, author = {Liu, Zhaoyu and Bhamu, K. C. and Luo, Liang and Shah, Satvik and Park, Joong-Mok and Cheng, Di and Long, Men and Biswas, Rana and Fungara, F. and Shiner, Ruth and Shiner, Joseph and Vela, Javier and Wang, Jigang} } @article {44618, title = {Specific stereoisomeric conformations determine the drug potency of cladosporin scaffold against malarial parasite}, journal = {Journal of Medicinal Chemistry}, volume = {61}, year = {2018}, month = {JUL}, pages = {5664-5678}, abstract = {

The dependence of drug potency on diastereomeric configurations is a key facet. Using a novel general divergent synthetic route for a three-chiral center antimalarial natural product cladosporin, we built its complete library of stereoisomers (cladologs) and assessed their inhibitory potential using parasite-, enzyme-, and structure-based assays. We show that potency is manifest via tetrahyropyran ring conformations that are housed in the ribose binding pocket of parasite lysyl tRNA synthetase (KRS). Strikingly, drug potency between top and worst enantiomers varied 500-fold, and structures of KRS-cladolog complexes reveal that alterations at C3 and C10 are detrimental to drug potency whereas changes at C3 are sensed by rotameric flipping of glutamate 332. Given that scores of antimalarial and anti-infective drugs contain chiral centers, this work provides a new foundation for focusing on inhibitor stereochemistry as a facet of antimicrobial drug development.

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.8b00565}, author = {Das, Pronay and Babbar, Palak and Malhotra, Nipun and Sharma, Manmohan and Jachak, Goraknath R. and Gonnade, Rajesh G. and Shanmugam, Dhanasekaran and Harlos, Karl and Yogavel, Manickam and Sharma, Amit and Reddy, D. Srinivasa} } @article {45378, title = {Specificity of amino acid-aluminum cluster interaction and subsequent oxygen activation by the above complex}, journal = {Journal of Physical Chemistry C }, volume = {122}, year = {2018}, month = {DEC}, pages = {28310-28323}, type = {Article}, abstract = {Amino acid aluminum cluster complex has been shown to be a promising oxygen molecule activator and has the potential to dissociate O-O bond on the cluster surface. The study of the complex also reveals specificity of amino acid to aluminum cluster in the above complex, which can be used in the detection of amino acid. The results have been obtained by the density functional theory at the B3LYP/6-311++g(d,p) level of calculation.}, issn = { 1932-7447}, doi = { 10.1021/acs.jpcc.8b08396}, author = {Samanta, Bipasa and Sengupta, Turbasu and Pal, Sourav} } @article {45418, title = {Spiro [fluorene-9,9 {\textquoteright}-xanthene]-containing copolymers of intrinsic microporosity: synthesis, characterization and gas permeation properties}, journal = {Reactive \& Functional Polymers}, volume = {133}, year = {2018}, month = {2018}, pages = {153-160}, type = {Article}, abstract = {In the present study, a new bis(catechol) containing spiro[fluorene-9,9{\textquoteright}-xanthene], namely, 4,4{\textquoteright}-(spiro(fluorene9,9{\textquoteright}-xanthene]-2{\textquoteright},7{\textquoteright}-diyl)bis(benzene-1,2-diol) (THSFX) was designed and synthesized. Polycondensation reactions of THSFX and varying compositions of THSFX and 5,5{\textquoteright},6,6{\textquoteright}-tetrahydroxy-3,3,3{\textquoteright},3{\textquoteright}-tetramethyl-1,1{\textquoteright}-spirobisindane (TTSBI) were carried out with 2,3,5,6-tetrafluoroterephthalonitrile (TFTPN) to obtain a homopolymer and copolymers, respectively. The organo-soluble polymers exhibited reasonably high molecular weights (23300-34,100 g/mol) and could be cast into self-standing films from their chloroform solutions. X-Ray diffraction studies indicated that PIMs were amorphous in nature. These polymers exhibited high thermal stability (T-10 = 490-510 degrees C) and possessed intrinsic microporosity with high BET surface area (360-796 m(2)/g). The gas permeation properties of SFX-PIM-25 and SFX-PIM-33 were evaluated and they exhibited high gas permeability (CO2 = 3595-4034 Barrer). The gas permeability data of SFX-PIM-25 and SFX-PIM-33 was located close to 1991 Robson upper bound for CO2/N-2, CO2/CH4 and O-2/N-2 gas pairs}, issn = {1381-5148 }, doi = {10.1016/j.reactfunctpolym.2018.10.008}, author = {Shrimant, Bharat and Kharul, Ulhas K. and Wadgaonkar, Prakash P.} } @article {44231, title = {Spreading dynamics of superposed liquid drops on a spinning disk}, journal = {Physics of Fluids}, volume = {30}, year = {2018}, month = {JAN}, pages = {012110}, type = {Article}, abstract = {

We have experimentally studied simultaneous spreading of superposed drops of two Newtonian liquids on top of a horizontal spinning disk using the flow visualization technique. An inner drop of high surface tension liquid is placed centrally on the disk followed by a drop of outer liquid (lower surface tension) placed exactly above that. The disk is then rotated at a desired speed for a range of volume ratios of two liquids. Such an arrangement of two superposed liquid drops does not affect the spreading behavior of the outer liquid but influences that of the inner liquid significantly. The drop spreads to a larger extent and breaks into more fingers (Nf) as compared to the case where the same liquid is spreading in the absence of outer liquid. The experimentally observed number of fingers is compared with the prediction using available theory for single liquid. It is found that the theory over-predicts the value of Nf for the inner liquid while it is covered by an outer liquid. We provide a theoretical justification for this observation using linear stability analysis. Our analysis demonstrates that for small but finite surface tension ratio of the two liquids, the presence of the outer interface reduces the value of the most unstable wave number which is equivalent to the decrease in the number of fingers observed experimentally. Finally, sustained rotation of the disk leads to the formation of droplets at the tip of the fingers traveling outwards. Published by AIP Publishing.

}, issn = {1070-6631}, doi = {10.1063/1.5002601}, author = {Sahoo, Subhadarshinee and Orpe, Ashish V. and Doshi, Pankaj} } @article {44186, title = {Streptomyces sp metabolite(s) promotes Bax mediated intrinsic apoptosis and autophagy involving inhibition of mTOR pathway in cervical cancer cell lines}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {FEB}, pages = {2810}, type = {Article}, abstract = {

In cervical cancer, the association between HPV infection and dysregulation of phosphoinositide 3-kinase (PI3K)/protein kinase B (AKT)/mammalian target of rapamycin (mTOR) pathway (PI3K/AKT/mTOR pathway) places mTOR as an attractive therapeutic target. The failure of current treatment modalities in advanced stages of this cancer and drawbacks of already available mTOR inhibitors demand for novel drug candidates. In the present study we identified the presence of a mTOR inhibitor in an active fraction of the ethyl acetate extract of Streptomyces sp OA293. The metabolites(s) in the active fraction completely inhibited mTORC1 and thereby suppressed activation of both of its downstream targets, 4E-BP1 and P70S6k, in cervical cancer cells. In addition, it also stalled Akt activation via inhibition of mTORC2. The mechanism of mTOR inhibition detailed in our study overcomes significant drawbacks of well known mTOR inhibitors such as rapamycin and rapalogs. The active fraction induced autophagy and Bax mediated apoptosis suggesting that mTOR inhibition resulted in programmed cell death of cancer cells. The molecular weight determination of the components in active fraction confirmed the absence of any previously known natural mTOR inhibitor. This is the first report of complete mTOR complex inhibition by a product derived from microbial source.

}, issn = {2045-2322}, doi = {10.1038/s41598-018-21249-5}, author = {Dan, Vipin Mohan and Muralikrishnan, Balaji and Sanawar, Rahul and Vinodh, J. S. and Burkul, Bhushan Bapusaheb and Srinivas, Kalanghad Puthankalam and Lekshmi, Asha and Pradeep, N. S. and Dastager, Syed G. and Santhakumari, B. and Santhoshkumar, Thankayyan R. and Kumar, R. Ajay and Pillai, Madhavan Radhakrishna} } @article {44566, title = {Structural and functional analysis of UGT92G6 suggests an evolutionary link between mono- and disaccharide glycoside-forming transferases}, journal = {Plant and Cell Physiology}, volume = {59}, year = {2018}, month = {APR }, pages = { 862{\textendash}875}, type = {Journal Article}, abstract = {

Glycosylation mediated by UDP-dependent glycosyltransferase (UGT) is one of the most common reactions for the biosynthesis of small molecule glycosides. As glycosides have various biological roles, we characterized UGT genes from grapevine (Vitis vinifera). In silico analysis of VvUGT genes that were highly expressed in leaves identified UGT92G6 which showed sequence similarity to both monosaccharide and disaccharide glucoside-forming transferases. The recombinant UGT92G6 glucosylated phenolics, among them caffeic acid, carvacrol, eugenol and raspberry ketone, and also accepted geranyl glucoside and citronellyl glucoside. Thus, UGT92G6 formed mono- and diglucosides in vitro from distinct compounds. The enzyme specificity constant Vmax/Km ratios indicated that UGT92G6 exhibited the highest specificity towards caffeic acid, producing almost equal amounts of the 3- and 4-O-glucoside. Transient overexpression of UGT92G6 in Nicotiana benthamiana leaves confirmed the production of caffeoyl glucoside; however, the level of geranyl diglucoside was not elevated upon overexpression of UGT92G6, even after co-expression of genes encoding geraniol synthase and geraniol UGT to provide sufficient precursor. Comparative sequence and 3-D structure analysis identified a sequence motif characteristic for monoglucoside-forming UGTs in UGT92G6, suggesting an evolutionary link between mono- and disaccharide glycoside UGTs. Thus, UGT92G6 functions as a mono- and diglucosyltransferase in vitro, but acts as a caffeoyl glucoside UGT in N. benthamiana.

}, issn = {320781}, doi = { 10.1093/pcp/pcy028}, author = {Huang, Fong-Chin and Giri, Ashok and Daniilidis, Melina and Sun, Guangxin and H{\"a}rtl, Katja and Hoffmann, Thomas and Schwab, Wilfried} } @article {45556, title = {Structural insights into the unique inhibitory mechanism of Kunitz type trypsin inhibitor from Cicer arietinum L.}, journal = {Journal of Biomolecular Structure and Dynamics}, volume = {24}, year = {2018}, month = {NOV}, pages = {1-9}, type = {Article}, abstract = {Kunitz-type trypsin inhibitors bind to the active pocket of trypsin causing its inhibition. Plant Kunitz-type inhibitors are thought to be important in defense, especially against insect pests. From sequence analysis of various Kunitz-type inhibitors from plants, we identified CaTI2 from chickpea as a unique variant lacking the functionally important arginine residue corresponding to the soybean trypsin inhibitor (STI) and having a distinct and unique inhibitory loop organization. To further explore the implications of these sequence variations, we obtained the crystal structure of recombinant CaTI2 at 2.8{\r A} resolution. It is evident from the structure that the variations in the inhibitory loop facilitates non-substrate like binding of CaTI2 to trypsin, while the canonical inhibitor STI binds to trypsin in substrate like manner. Our results establish the unique mechanism of trypsin inhibition by CaTI2, which warrant further research into its substrate spectrum. Abbreviations BApNA Nα-Benzoyl-L-arginine 4-nitroanilide BPT bovine pancreatic trypsin CaTI2 Cicer arietinum L trypsin inhibitor 2 DrTI Delonix regia Trypsin inhibitor EcTI Enterolobium contortisiliquum trypsin inhibitor ETI Erythrina caffra trypsin inhibitor KTI Kunitz type inhibitor STI soybean trypsin inhibitor TKI Tamarindus indica Kunitz inhibitor Communicated By Ramaswamy H. Sarma.}, author = {Bendre, A.D. and Suresh, C.G. and Shanmugam, D. and Ramasamy, S.} } @article {44551, title = {Structure and function of a highly active Bile Salt Hydrolase (BSH) from Enterococcus faecalis and post-translational processing of BSH enzymes}, journal = {Biochim Biophys Acta.}, volume = {1866}, year = {2018}, month = {JAN}, pages = {507-518}, type = {Journal Article}, abstract = {Bile Salt Hydrolase (BSH), a member of Cholylglycine hydrolase family, catalyzes the de-conjugation of bile acids and is evolutionarily related to penicillin V acylase (PVA) that hydrolyses a different substrate such as penicillin V. We report the three-dimensional structure of a BSH enzyme from the Gram-positive bacteria Enterococcus faecalis (EfBSH) which has manifold higher hydrolase activity compared to other known BSHs and displays unique allosteric catalytic property. The structural analysis revealed reduced secondary structure content compared to other known BSH structures, particularly devoid of an anti-parallel β-sheet in the assembly loop and part of a β-strand is converted to increase the length of a substrate binding loop 2. The analysis of the substrate binding pocket showed reduced volume owing to altered loop conformations and increased hydrophobicity contributed by a higher ratio of hydrophobic to hydrophilic groups present. The aromatic residues F18, Y20 and F65 participate in substrate binding. Thus, their mutation affects enzyme activity. Docking and Molecular Dynamics simulation studies showed effective polar complementarity present for the three hydroxyl (-OH) groups of GCA substrate in the binding site contributing to higher substrate specificity and efficient catalysis. These are unique features characteristics of this BSH enzyme and thought to contribute to its higher activity and specificity towards bile salts as well as allosteric effects. Further, mechanism of autocatalytic processing of Cholylglycine Hydrolases by the excision of an N-terminal Pre-peptide was examined by inserting different N-terminal pre-peptides in EfBSH sequence. The results suggest that two serine residues next to nucleophile cysteine are essential for autocalytic processing to remove precursor peptide. Since pre-peptide is absent in EfBSH the mutation of these serines is tolerated. This suggests that an evolution-mediated subordination of the pre-peptide excision site resulted in loss of pre-peptide in EfBSH and other related Cholylglycine hydrolases.}, keywords = {autocatalytic processing, Bile salt hydrolase, molecular dynamics, Mutagenesis, Polar complementarity, X-ray crystallography}, issn = {15709639}, doi = {0.1016/j.bbapap.2018.01.003.}, author = {Chand, D.}, editor = {Panigrahi, P.} } @article {44628, title = {Studies on CL-20/HMX (2:1) cocrystal: a new preparation method and structural and thermokinetic analysis}, journal = {Crystal Growth \& Design}, volume = {18}, year = {2018}, month = {JUL}, pages = {3781-3793}, abstract = {

A new preparation method for CL-20/HMX (2:1) cocrystal has been established at the laboratory level that is amenable for scale up. Solvent evaporation from a saturated solution of the stoichiometric mixture in the presence of a high boiling antisolvent, comparatively a very efficient and cheaper method, yielded pure cocrystals. Cocrystals were well characterized by spectroscopic, thermoanalytical tools, X-ray diffraction, and microscopic techniques. A correlation of percentage of cocrystal formation with evaporation rate has been obtained through quantitative analysis using Raman spectrometry. An evaporation rate of \<1 mL/min consistently produced pure cocrystal confirmed by Raman and powder X-ray diffraction analysis. Thermokinetic analysis suggests the cocrystal to be more stable than CL-20 with an energy of activation of 65 kcal/mol, higher than CL-20 but inferior to HMX. Significant augmentation in the values of k and A over CL-20 justified a faster decomposition rate. Enhanced insensitivity toward friction and impact forces and higher measured velocity of detonation indicate improved performance on incorporation into high explosive formulations.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.8b00015}, author = {Ghosh, Mrinal and Sikder, Arun K. and Banerjee, Shaibal and Gonnade, Rajesh G.} } @article {44542, title = {Substituent-induced deformed ni{\textendash}porphyrin as an electrocatalyst for the electrochemical conversion of water into dioxygen}, journal = {European Journal of Inorganic Chemistry}, volume = {14}, year = {2018}, month = {APR}, pages = {1549-1555}, type = {Article}, abstract = {

The electrochemical water oxidation ability of complexes 5,15-diphenylporphinatonickel(II) (A) and 5,15-bis(3,5-di-tert-butylphenyl)porphinatonickel(II) (B) in the oxygen evolution reaction (OER) have been investigated in an alkaline medium. Complex B was found to be kinetically and thermodynamically more active than complex A. The overpotential and Tafel slope of complex B are lower than those of complex A by 30 mV and around 45 mV/decade, respectively, which supports the higher activity of B. Moreover, stability tests endorse the sustainability of both samples under alkaline conditions. It has been found that the 3,5-di-tert-butylphenyl substituent in B plays a decisive role in achieving a better OER onset potential and current than that obtained with A, which is a result of the modulation of the structural parameters of B. Furthermore, the measured OER activities of A and B have been correlated with their molecular arrangement as well as differences in their bonding characteristics and dipole moments. For further insight, the obtained results have been confirmed by a theoretical study.

}, issn = {14341948}, doi = {10.1002/ejic.201701427}, author = {Krishna, J. V. S. and Krishna, Narra Vamsi and Singh, Santosh K. and Shaw, Pankaj K. and Dhavale, Vishal M. and Vardhaman, Anil Kumar and Giribabu, Lingamallu} } @article {44161, title = {Sucrose capped gold nanoparticles as a plasmonic chemical sensor based on non-covalent interactions: application for selective detection of vitamins B-1 and B-6 in brown and white rice food samples}, journal = {Food Chemistry}, volume = {250}, year = {2018}, month = {JUN}, pages = {14-21}, type = {Article}, abstract = {

We report simple and selective method for detection of vitamins B-1 and B-6 in brown and white rice samples using localized surface plasmon resonance (LSPR) of sucrose capped gold nanoparticles (AuNPs) as a chemical sensor colorimetrically. Here, detection is based on the color change of AuNPs from pink to blue followed by a red shift of LSPR absorption band in UV-vis region with the addition of vitamins B-1 and B-6 into the NPs solution. A good linear range was observed in the range of 25-1000 ngmL(-1) with detection limit of 8 ngmL(-1) for B-1 and 50-1000 ngmL(-1) with detection limit of 15 ngmL(-1) for vitamins B-6. The employment of AuNPs for detection of B-1 and B-6 vitamins in rice food samples showed remarkable abilities in terms of the simplicity, low cost, stability, reproducibility and sensitivity.

}, doi = {10.1016/j.foodchem.2018.01.002}, author = {Shrivas, Kamlesh and Nirmalkar, Nidhi and Thakur, Santosh Singh and Deb, Manas Kanti and Shinde, Sandip S. and Shankar, Ravi} } @article {44188, title = {Superior HIV-1 TAR binders with conformationally constrained R52 arginine mimics in the Tat(48-57) peptide}, journal = {Chemmedchem}, volume = {13}, year = {2018}, month = {FEB }, pages = {220-226}, type = {Article}, abstract = {

We report a 100-fold increase in binding affinity of the Tat(48-57) peptide to HIV-1 transcriptional activator-responsive element (TAR) RNA by replacing Arg52, an essential and critical residue for Tat{\textquoteright}s specific binding, with (2S,4S)-4-guanidinoproline. The resulting Tat1M peptide is a far superior binder than Tat1M, a peptide containing another conformationally constrained arginine mimic, (2S,4S)-4-amino-N-(3-guanidinopropyl)proline, or even the control Tat peptide (CtrlTat) itself. Our observations are supported by circular dichroism (CD), isothermal titration calorimetry (ITC), gel electrophoresis and UV spectroscopy studies. Molecular dynamics simulations suggest increased interactions between the more compact Tat1M and TAR RNA, relative to CtrlTat. The CD signature of the RNA itself remains largely unchanged upon binding of the peptides. The Tat mimetics further have better cell uptake properties than the control Tat peptide, thus increasing their potential application as specific TAR-binding molecules.

}, keywords = {antiviral agents, arginine mimics, RNA, Tat peptide analogues, Tat-TAR binding}, issn = {1860-7179}, doi = {10.1002/cmdc.201700653}, author = {Bhosle, Govind S. and Kharche, Shalmali and Kumar, Santosh and Sengupta, Durba and Maiti, Souvik and Fernandes, Moneesha} } @article {44609, title = {Superprotonic conductivity in flexible porous covalent organic framework membranes}, journal = {Angewandte Chemie}, volume = {57}, year = {2018}, month = {AUG}, pages = {10894-10898}, type = {Article}, abstract = {

Poor mechanical stability of the polymer electrolyte membranes (PEMs) remains one of the bottlenecks towards improving the performance of the proton exchange membrane (PEM) fuel cells. The present work proposes a unique way to utilize crystalline covalent organic frameworks (COFs) as a self-standing, highly flexible membrane to further boost the mechanical stability of the material without compromising its innate structural characteristics. The as-synthesized p-toluene sulfonic acid loaded covalent organic framework membranes (COFMs) showing the highest proton conductivity amongst all crystalline porous organic polymeric materials reported till date, as high as 7.8 x 10-2 S cm-1, have been further tested under real PEM operating conditions to ascertain their practical utilization as proton exchange membranes. Attainment of 24 mW cm-2 power density, which is the highest among COFs and MOFs, highlights the possibilityof using a COF membrane over the other state-of-the-art crystalline porous polymeric materials reported to date.

}, doi = {10.1002/ange.201804753}, author = {Banerjee, Rahul and Sasmal, Himadri Sekhar and Harshitha, B. A. and Bhange, Siddheshwar and Karak, Suvendu and Halder, Arjun and Kurungot, Sreekumar} } @article {44533, title = {Supramolecular complexes of poly(3-Hexylthiophene)-block (and random)-poly[3-(2-(6-carboxyhexyl)methyl)thiophene] copolymers with perylene bisimide}, journal = {Journal of Polymer Science Part A: Polymer Chemistry}, volume = {56}, year = {2018}, month = {MAY}, pages = {1574-1583}, type = {Journal Article}, abstract = {Block and random copolymers of poly(3-hexylthiophene) and poly[3-(2-(6-carboxyhexyl)methyl)thiophene] with side-chain carboxylic functionality ((P3HT-b-P3COOH) and (P3HT-r-P3COOH) were developed by Grignard Metathesis (GRIM) polymerization. The carboxylic functionality was introduced in the side chain via the oxazoline route. Both the block and random polythiophene copolymers were complexed with pyridine functionalized perylene bisimide to obtain supramolecular block and random polymer complexes. The complex formation in both systems was confirmed by 1H NMR, WXRD and SAXS studies. An expansion of d spacing upon complex formation was observed in both the block and random copolymer, which could be traced by WXRD. Hole and electron mobilities measured for the supramolecular complexes indicated values which were higher by an order of magnitude for the supramolecular block complex (μh ≈ 2.9 {\texttimes} 10-4 cm2/Vs; μe ≈ 3.1 {\texttimes} 10-6 cm2/Vs) as compared to the random (μh ≈ 1.4 {\texttimes} 10-5 cm2/Vs; μe ≈ 4.7 {\texttimes} 10-7 cm2/Vs) copolymer. These results are indicative of the higher degree of disorder prevailing in the films of random copolymer system compared to the block copolymer.}, keywords = {block and random polythiophene, perylene bisi-mide, Self-assembly}, issn = {0887624X}, doi = {10.1002/pola.29042}, author = {Shinde, Shekhar}, editor = {Vijayan, Raaghesh} } @article {44519, title = {Surface modification of polymers for tissue engineering applications: arginine acts as a sticky protein equivalent for viable cell accommodation}, journal = {ACS Omega}, volume = {3}, year = {2018}, month = {APR }, pages = {4242{\textendash}4251}, type = {Journal Article}, abstract = {

Hydrophobic polymers, for their favorable mechanical properties, are a popular choice as permanent bioimplants. These materials remain absolutely bioinert for years, but throw up challenges when it comes to fast integration with healthy tissue. Addressing this, herein, we present a surface-modification technique of converting the hydrophobic surface of a polymeric film into a hydrophilic one using a layer-by-layer assembly process involving gold nanoparticles and small molecules like amino acids. These films showed much improved animal cell (murine fibroblast) adherence properties compared to commercially available tissue culture plates. Moreover, arginine-modified films exhibited a nearly equivalent cell viability compared to the films modified with the natural extracellular matrix component fibronectin. The surface hydrophilicity and roughness of our novel film were characterized by contact angle measurement and atomic force microscopy. Cell counting, fluorescence microscopy, cell viability, and collagen estimation assay were employed to demonstrate that our film favored a much improved cell adherence, and accommodation in comparison to the commercially available tissue culture plates.

}, keywords = {Cell and Molecular biology, Extracellular matrix proteins, Nanoparticles, Physical and chemical properties, Polymers, Proteins, Surface structure, Surface treatment, Thin films, tissue engineering}, issn = {24701343}, doi = { 10.1021/acsomega.8b00215}, author = {Sengupta, Poulomi}, editor = {Prasad, Bhagavatula L. V.} } @article {44358, title = {Syntheses and single crystal X-ray diffraction analysis of five isostructural 2D MOCCs}, journal = {Polyhedron}, volume = {147}, year = {2018}, month = {JUN}, pages = {49-54}, type = {Article}, abstract = {Five two-dimensional metal-organic coordination compounds (MOCCs) have been solvothermally synthesized by the combination of 2-aminonicotinic acid (ANA) and transition metal ions, viz. Co(II), Ni (II), Cu(Il), Zn(II) and Cd(II), in water-ethanol mixed solvent. They are formulated as [CoC6H5N2O2)(2)], (Co-ANA); [Ni(C6H5N2O2)(2)], (Ni-ANA) [Cu(C6H5N2O2)(2)], (Cu-ANA), [Zn(C6H5N2O2)(2)], (Zn-ANA) and [Cd(C6H5N2O2)(2)], (Cd-ANA). Single crystal X-ray diffraction studies for the complexes Co-ANA, Ni-ANA and Cd-ANA have also been carried out. These three complexes crystallize in the tetragonal crystal system with the space group P4(1)2(1)2. The metal ions in all these complexes have an octahedral coordination environment. The six coordinations are satisfied by two pyridine N-atoms from two different ANA ligands and four oxygen atoms from two chelating carboxylate groups of another two ANA ligands. The topological motif of the coordination network is defined as 2-periodic net or square lattice (sql). These complexes were further characterized by elemental, FT-IR spectral, thermal and powder X-ray diffraction analyses. (C) 2018 Elsevier Ltd. All rights reserved.}, doi = {10.1016/j.poly.2018.02.031}, author = {Singh, Sandeep K. and Srivastava, Krishna and Banerjee, Rahul and Prasad, Jagdish} } @article {45366, title = {Synthesis and anticancer activity of conformationally constrained Smac mimetics containing pseudo beta turns}, journal = {Tetrahedron Letters }, volume = {59}, year = {2018}, month = {SEP}, pages = {3473-3476}, type = {Article}, abstract = {Herein, we report synthesis and in vitro anticancer activity of conformationally constrained Smac mimetics containing reverse turn inducing motifs "Ant-Pro" and "sAnt-Pro". The synthesis of Smac analogs with diverse hydrophobic groups at the C-terminus was carried out using solution phase peptide synthesis. The synthesis of Ant-Pro containing analogs 3a-j was carried out by ring opening of benzoxazinones 7a-c, whereas, their sulfonamide counterparts 4a-h were synthesized by using routine acid-amine coupling reaction. In vitro anticancer studies against breast cancer cell line MDA-MB-231 revealed that some of the new analogs had better anticancer activity than the standard AVPI Smac tetrapeptide. (C) 2018 Published by Elsevier Ltd.}, doi = {10.1016/j.tetlet.2018.08.016}, author = {Baravkar, Sachin B. and Wagh, Mahendra A. and Paul, Debasish and Santra, Manas and Sanjayan, Gangadhar J.} } @article {45549, title = {Synthesis and anticancer studies of michael adducts and heck arylation products of sesquiterpene lactones, zaluzanin D and zaluzanin C from vernonia arborea}, journal = {RSC Advances}, volume = {8}, year = {2018}, month = {NOV}, pages = {38289-38304}, type = {Article}, abstract = {Sesquiterpene lactones containing α-methylene-γ-lactones, zaluzanin D 1 and zaluzanin C 2 were isolated from the leaves of Vernonia arborea. Several diverse Michael adducts (3{\textendash}22) and Heck arylation analogs (23{\textendash}34) of 1 have been synthesized by reacting with various amines and aryl iodides, respectively and were assayed for their in vitro anticancer activities against human breast cancer cell lines MCF7 and MDA-MB-231. Among all the synthesized analogs, Michael adducts 9 and 10 showed better anticancer activities as compared to 1. However, among these compounds, only 10 has minimal cytotoxic effect on normal breast epithelial MCF10A cells. Our detailed mechanistic studies reveal that compounds 9 and 10 execute their antiproliferative activity through induction of apoptosis and thereby inhibit the cancer cells proliferation and compound 10 could be a lead compound for designing potential anti-cancer compound.}, doi = {10.1039/c8ra06238b}, author = {Valkute, T.R. and Aratikatla, E.K. and Gupta, N.A. and Ganga, S. and Santra, M.K. and Bhattacharya, A.K.} } @article {45543, title = {Synthesis and antitumor activity evaluation of 2-aminothiazoles appended 5-methylisoxazoline and pyridine-piperazine hybrid molecules}, journal = {Letters in Organic Chemistry}, volume = {15}, year = {2018}, month = {NOV}, pages = {1070-1077}, type = {Article}, abstract = {A highly efficient and milder protocol for the syntheses of novel series of 2-aminothiazoles bearing 5-methylisoxazoline and pyridine-piperazine hybrid molecules has been developed. The target compounds 13a-e were screened for their in vitro cytotoxicity activity against various tumor cell lines including MCF-7 (human breast adenocarcinoma), HCT-116 (colorectal carcinoma), Jurkat (human T-cell leukemia) and THP-1 (human acute monocytic leukemia). The bioactive assay showed that the most of the new compounds exhibited promising results in comparison with the parental Sunitinib. The synthesized compounds could well be used in the future as lead anticancer drugs in drug development studies. The synthesized compounds were fully characterized by IR,1 H NMR,13 C NMR, elemental analysis and mass spectral data. }, doi = {10.2174/1570178615666180430122641}, author = {Suresh, G. and Nadh, R.V. and Srinivasu, N. and Yennity, D.} } @article {44197, title = {Synthesis and biological evaluation of new 2-aryl-4-((4-aryl-1H-1,2,3-triazol-1-yl)methyl)thiazole derivatives}, journal = {Research on Chemical Intermediates}, volume = {44}, year = {2018}, month = {FEB}, pages = {1247-1260}, type = {Article}, abstract = {

A series of 2-aryl-4-((4-aryl-1H-1,2,3-triazol-1-yl)methyl)thiazole derivatives (8a-p) have been synthesized. The structure of the newly synthesized compounds was determined by spectral analysis. The title compounds were screened for their preliminary antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB, ATCC 25177) and Mycobacterium bovis BCG (BCG, ATCC 35743). Further, the synthesized compounds were screened for antimicrobial activity against standard Gram-negative bacteria Escherichia coli (NCIM 2576) and Pseudomonas flurescence (NCIM 2059) and Gram-positive bacteria Staphylococcus aureus (NCIM 2602) and Bacillus subtilis (NCIM 2162). Among all the synthesized compounds, 8a-c, f-h, m exhibited good activity against dormant M. bovis BCG strain. Compounds 8h, j exhibited good activity against all tested bacterial strains. All active compounds were screened for cytotoxicity and found inactive. Their high potency and promising antimycobacterial activity suggest that these compounds could serve as good leads for further optimization and development.

}, keywords = {1, 2, 3-Triazole, antibacterial activity, Antitubercular activity, Thiazole}, issn = {0922-6168}, doi = {10.1007/s11164-017-3164-4}, author = {Shinde, Vikas and Mahulikar, Pramod and Mhaske, Pravin C. and Nawale, Laxman and Sarkar, Dhiman} } @article {44512, title = {Synthesis and biological evaluation of novel triazole-biscoumarin conjugates as potential antitubercular and anti-oxidant agents}, journal = {Research on Chemical Intermediates}, volume = {44}, year = {2018}, month = {MAY}, pages = {1-28}, type = {Journal Article}, abstract = {

The synthesis of a new series of triazole-biscoumarin conjugates by using a molecular hybridization approach is described. The newly synthesized compounds 6a{\textendash}k were evaluated for their in vitro antitubercular activity against active and dormant Mtb H37Ra and anti-oxidant activity against DPPH radical scavenging. Molecular docking simulations for the antitubercular activity showed that the conjugates 6a{\textendash}k bind in the pocket of the DprE1 enzyme. Most of the conjugates displayed good antitubercular activity against both the active and dormant Mtb H37Ra strain. The compound 6h displayed very good antitubercular activity against dormant Mtb H37Ra with an IC50 value of 1.44 μg/mL. Most of the synthesized conjugates exhibit excellent anti-oxidant activity with an IC50 of less than the standard BHT. Compound 6b is the most active among all the conjugates with an IC50 value of 08.17 {\textpm} 0.11 μg/mL. The molecular docking study shows good agreement between the observed antitubercular activity and the binding affinity.

}, keywords = {1, 2, 3-triazoles, Anti-oxidant activity, Antitubercular activity, Biscoumarins, Molecular docking}, issn = {9226168}, doi = {10.1007/s11164-018-3490-1}, author = {Danne, Ashruba B.}, editor = {Choudhari, Amit S.} } @article {44509, title = {Synthesis and biological evaluation of some bicyclic [2-(2,4-dimethylphenylthio)phenyl] aniline and its amide derivatives as potential antitubercular agents}, journal = {Journal of Chemical Sciences}, volume = {130}, year = {2018}, month = {FEB }, pages = {22}, type = {Journal Article}, abstract = {

In the present investigation, a series of bicyclic [2-(2,4-dimethylphenylthio)phenyl] aniline analogues were synthesized and characterized by IR, NMR (1H and 13C) and mass spectra. All newly synthesized 15 compounds were inspected for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra in both active and dormant state using an established XTT Reduction Menadione assay (XRMA). The titled compounds exhibited minimum inhibitory concentration (MIC90) ranging from 0.05 to \>30 (μg/mL). The potent four compounds were further evaluated in THP-1 infection model where they demonstrated significant antitubercular activity. All the ex vivo active were further evaluated for cytotoxic activity against THP-1, MCK7 and HeLa cell lines in order to check selectivity index. All compounds were further screened against four different bacteria to assess their selectivity towards MTB. These derivatives could be considered as a precursor structure for further design of antituberculosis agent.

}, keywords = {4-dimethylphenylthio)phenyl] aniline, antituberculosis activity, Cytotoxicity, [2-(2}, issn = {9743626}, doi = {10.1007/s12039-018-1424-5}, author = {Patil, Yogesh and Shingare, Ramesh} } @article {44650, title = {Synthesis and biological evaluation of some new tricyclic pyrrolo[3,2-e]tetrazolo[1,5-c]pyrimidine derivatives as potential antitubercular agents}, journal = {Archiv Der Pharmazie}, volume = {351}, year = {2018}, month = {AUG}, pages = {e1800040}, abstract = {

A series of new tricyclic pyrrolo[3,2-e]tetrazolo[1,5-c]pyrimidines 8a-l were synthesized and characterized by IR, NMR (H-1 and C-13), and mass spectral analysis. The newly synthesized compounds 8a-l were inspected for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra using an established XTT reduction menadione assay (XRMA). The title compounds exhibited minimum inhibitory concentrations (MIC90) ranging from 0.09 to \>30g/mL. Five compounds (8c, 8i-l) were further confirmed for their dose-dependent effect against MTB. These compounds were evaluated in the THP-1 infection model, where 8i (MIC90=0.35g/mL), 8j (MIC90=1.17g/mL), 8k (MIC90=2.38g/mL), and 8l (MIC90=1.17g/mL) demonstrated significant antitubercular activity. All the ex vivo active compounds showed insignificant cytotoxicity against the human cancer cell lines, HeLa, MCF-7, and THP-1. Inactivity of all these compounds against Gram positive and Gram negative bacteria indicates their specificity. Molecular docking studies in the active site of the sterol 14alpha-demethylase (CYP51) enzyme revealed a similar binding mode to the native ligand in the crystal structure, thereby helping to understand the ligand-protein interactions and to establish a structural basis for inhibition of MTB. The results suggest novel pharmacophores as selective and specific inhibitors against MTB that can be explored further to synthesize lead compounds against tuberculosis. In summary, the results clearly indicate the identification of some novel, selective, and specific inhibitors against MTB that can be explored further for potential antitubercular drugs.

}, keywords = {2-e]tetrazolo[1, 5-c]pyrimidine, Antituberculosis, Cytotoxicity, Molecular docking, tricyclic pyrrolo[3}, issn = {0365-6233}, doi = {10.1002/ardp.201800040}, author = {Patil, Yogesh and Shingare, Ramesh and Choudhari, Amit and Borkute, Rachana and Sarkar, Dhiman and Madje, Balaji R.} } @article {44498, title = {Synthesis, biological evaluation, and molecular docking study of pyridine clubbed 1,3,4-oxadiazoles as potential antituberculars}, journal = {Synthetic Communications}, volume = {48}, year = {2018}, month = {JAN}, pages = {524-540}, type = {Journal Article}, abstract = {

A series of pyridine clubbed 1,3,4-oxadiazole derivatives were efficiently synthesized, characterized by standard spectral techniques and evaluated for their in vitro antitubercular activity against Mycobacterium tuberculosis (MTB) H37Ra and Mycobacterium bovis BCG in active and dormant state using an established methods. Compounds 5a, 5m, and 5t were identified as the most active compounds against MTB. Molecular docking was performed against MTB enoyl-ACP (CoA) reductase (FabI/ENR/InhA) enzyme to predict the binding modes and affinity. The theoretical predictions from molecular docking could establish a link between the observed biological activity and the binding affinity shedding light into specific bonded and non-bonded interactions influencing the activity. The active compounds were studied for cytotoxicity against three cell lines and were found to be non-cytotoxic. Specificity of these compounds was checked by screening them for their antibacterial activity against four bacterial strains.

}, keywords = {antibacterial activity, antituberculosis activity, cytotoxicity activity}, issn = {397911}, doi = {10.1080/00397911.2017.1410892}, author = {Desai, N. C.}, editor = {Trivedi, Amit} } @article {44241, title = {Synthesis, characterization, and gas permeation properties of adamantane-containing polymers of intrinsic microporosity}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {56}, year = {2018}, month = {JAN }, pages = {16-24}, type = {Article}, abstract = {

A new bis(catechol) monomer, namely, 4,4-((1r,3r)-adamantane-2,2-diyl)bis(benzene-1,2diol) (THADM) was synthesized by condensation of 2-adamantanone with veratrole followed by demethylation of the formed (1r,3r)-2,2-bis(3,4 dimethoxyphenyl)adamantane. Polycondensation of THADM and various compositions of THADM and 5,5,6,6-tetrahydroxy-3,3,3,3-tetramethylspirobisindane was performed with 2,3,5,6-tetrafluoroterephthalonitrile (TFTPN) to obtain the homopolymer and copolymers. These polymers demonstrated good solubility in common organic solvents such as dichloromethane, chloroform, and tetrahydrofuran and could be cast into tough films from their chloroform solutions. GPC analysis revealed that number average molecular weights of polymers were in the range 48,100-61,700 gmol(-1), suggesting the formation of reasonably high molecular weight polymers. They possessed intrinsic microporosity with Brunauer-Emmett-Teller (BET) surface area in the range 703-741 m(2)g(-1). Thermogravimetric analysis of polymers indicated that 10\% weight loss temperature was in the range 513-518 degrees C demonstrating their excellent thermal stability. THADM-based polymer of intrinsic microporosity (PIM) showed P(CO2)=1080, P(O-2)=232 and appreciable selectivity [(CO2/CH4)=22.6, (CO2/N-2)=26.7, and (O-2/N-2)= 5.7]. The gas permeability measurements revealed that with increase in the content of adamantane units in PIMs, selectivity increased and permeability decreased, following the trade-off relationship. The gas separation properties of PIMs containing adamantane units were located close to 2008 Robeson upper bound for gas pairs such as CO2/CH4, CO2/N-2, H-2/N-2, and O-2/N-2. (c) 2017 Wiley Periodicals, Inc.

}, keywords = {adamantane, Gas permeation, intrinsic microporosity, membranes, structure-property relations}, issn = {0887-624X}, doi = {10.1002/pola.28710}, author = {Shrimant, Bharat and Shaligram, Sayali V. and Kharul, Ulhas K. and Wadgaonkar, Prakash P.} } @article {44585, title = {Synthesis of heterogeneous Ru(II)-1,2,3-triazole catalyst supported over SBA-15: application to the hydrogen transfer reaction and unusual highly selective 1,4-disubstituted triazole formation via multicomponent click reaction}, journal = {Catalysis Science \& Technology}, volume = {8}, year = {2018}, month = {JUL}, pages = {3246-3259}, abstract = {In the present study, we demonstrate a simple and efficient method for ligand formation and covalent anchoring to a heterogeneous support via click reaction. The complex tris(triphenylphosphine) ruthenium(II) dichloride [RuCl2(PPh3)(3)] anchored over the click modified ligand of SBA-15 forms a new highly efficient heterogeneous SBA-15-Tz-Ru(II) TPP catalyst. Solid state C-13, Si-29, and P-31 CP-MAS NMR spectra provide evidence for the formation of the heterogeneous catalyst. SBA-15-Tz-Ru(II) TPP catalyst was screened for the multicomponent click cycloaddition reaction in water medium as a green solvent and it exhibited unusual and excellent selectivity for the formation of 1,4-disubstituted triazole product under mild reaction condition. In addition, SBA-15-Tz-Ru(II) TPP catalyst also catalyzed the hydrogen transfer reaction of various carbonyl compounds with excellent catalytic activity to give the corresponding alcohols. The heterogeneous catalyst can be recycled and reused several times (five) without a loss in reactivity.}, doi = {10.1039/c7cy02619f}, author = {Sharma, Priti and Rathod, Jayant and Singh, A. P. and Kumar, Pradeep and Sasson, Yoel} } @article {44502, title = {Synthesis of key intermediate for (+)-tofacitinib through CoIII(salen)-catalyzed two stereocentered hydrolytic kinetic resolution of ({\^A}{\textpm})-methyl-3-(oxiran-2-yl)butanoate}, journal = { Synthetic Communications}, volume = {48}, year = {2018}, month = {MAR}, pages = {1045-1051}, type = {Journal Article}, abstract = {An enantiopure piperidine, a key intermediate for the synthesis of (+)-tofacitinib, has been achieved in high optical purity (98\% ee) from readily available crotyl alcohol. The key steps involved is a CoIII(salen)-OAc-catalyzed two stereocentered hydrolytic kinetic resolution of ({\textpm})-methyl-3-(oxiran-2-yl)butanoate.}, keywords = {enantioselective, Hydrolytic kinetic resolution, iodolactonization, γ-Butyralactone}, issn = {397911}, doi = {10.1080/00397911.2018.1434204}, author = {Kamble, Rohit B.}, editor = {Suryavanshi, Gurunath} } @article {44500, title = {Synthesis of novel alpha-aminophosphonate derivatives, biological evaluation as potent antiproliferative agents and molecular docking}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {MAY}, pages = {5552-5558}, type = {Journal Article}, abstract = {

A series of novel fluorine containing α-aminophosphonate derivatives (4 a{\textendash}4 q) were synthesized in excellent yield and high purity. All these novel Fluorinated α-aminophosphonate compounds were screened for antiproliferative and apoptosis activity on human non small cell lung carcinoma cells (A549) and human skin melanoma cells (SK-MEL-2). Compounds 4 a, 4 b, 4 c, 4 f, 4 i, 4 j and 4 m were found to be more active antiproliferative agent against A549 and SK-MEL-2 cells with IC50 value 0.22 to 1.25 μM. Molecular docking study related to binding affinity and binding mode analysis showed that synthesized compounds had potential to inhibit human Topoisomerase IIa enzyme system. Flow cytometric study showed some of these derivatives also induced cell apoptosis and arrest cell cycle at G1 and at G2/M phase. Overall, this study provides future perspective of lead candidate for the future anticancer drug discovery initiatives.

}, issn = {23656549}, doi = {10.1002/slct.201800798}, author = {Deshmukh, Satish U.}, editor = {Kharat, Kiran R.} } @article {45496, title = {Synthetic control on structure/dimensionality and photophysical properties of low dimensional organic lead bromide perovskite}, journal = { Inorganic chemistry}, volume = {57}, year = {2018}, month = {OCT }, pages = {13443-13452}, type = {Article }, abstract = {Low dimensional lead halide perovskites have attracted huge research interest due to their structural diversity and remarkable photophysical properties. The ability to controllably change dimensionality/structure of perovskites remains highly challenging. Here, we report synthetic control on structure/dimensionality of ethylenediammonium (ED) lead bromide perovskite from a two dimensionally networked (2DN) sheet to a one dimensionally networked (1DN) chain structure. Intercalation of solvent molecules into the perovskite plays a crucial role in directing the final dimensionality/structure. This change in dimensionality reflects strongly in the observed differences in photophysical properties. Upon UV excitation, the 1DN structure emits white light due to easily formed {\textquotedblleft}self-trapped{\textquotedblright} excitons. 2DN perovskites show band edge blue emission (\~{}410 nm). Interestingly, Mn2+ incorporated 2DN perovskites show a highly red-shifted Mn2+ emission peak at \~{}670 nm. Such a long wavelength Mn2+ emission peak is unprecedented in the perovskite family. This report highlights the synthetic ability to control the dimensionality/structure of perovskite and consequently its photophysical properties.}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.8b02042}, author = {Haris, Muhammed P. U. and Bakthavatsalam, Rangarajan and Shaikh, Samir and Kore, Bhushan P. and Moghe, Dhanashree and Gonnade, Rajesh G. and Sarma, D. D. and Kabra, Dinesh and Kundu, Janardan} } @article {44494, title = {Targeted phenotypic screening in plasmodium falciparum and toxoplasma gondii reveals novel modes of action of medicines for malaria venture malaria box molecules}, journal = {mSphere}, volume = {3}, year = {2018}, month = {JAN}, pages = { e00534-17}, type = {Journal Article}, abstract = {The Malaria Box collection includes 400 chemically diverse small molecules with documented potency against malaria parasite growth, but the underlying modes of action are largely unknown. Using complementary phenotypic screens against Plasmodium falciparum and Toxoplasma gondii, we report phenotype-specific hits based on inhibition of overall parasite growth, apicoplast segregation, and egress or host invasion, providing hitherto unavailable insights into the possible mechanisms affected. First, the Malaria Box library was screened against tachyzoite stage T. gondii and the half-maximal effective concentrations (EC50s) of molecules showing >=80\% growth inhibition at 10 {\textmu}M were determined. Comparison of the EC50s for T. gondii and P. falciparum identified a subset of 24 molecules with nanomolar potency against both parasites. Thirty molecules that failed to induce acute growth inhibition in T. gondii tachyzoites in a 2-day assay caused delayed parasite death upon extended exposure, with at least three molecules interfering with apicoplast segregation during daughter cell formation. Using flow cytometry and microscopy-based examinations, we prioritized 26 molecules with the potential to inhibit host cell egress/invasion during asexual developmental stages of P. falciparum. None of the inhibitors affected digestive vacuole integrity, ruling out a mechanism mediated by broadly specific protease inhibitor activity. Interestingly, five of the plasmodial egress inhibitors inhibited ionophore-induced egress of T. gondii tachyzoites. These findings highlight the advantage of comparative and targeted phenotypic screens in related species as a means to identify lead molecules with a conserved mode of action. Further work on target identification and mechanism analysis will facilitate the development of antiparasitic compounds with cross-species efficacy.}, issn = {23795042}, doi = {10.1128/mSphere.00534-17}, author = {Subramanian, Gowtham}, editor = {Belekar, Meenakshi A.} } @article {44480, title = {Thermo thickening behavior of MPEG-b-PCL grafted poly(acrylic acid): a molecular insight}, journal = {Polymer}, volume = {148}, year = {2018}, month = {JUL}, pages = {138-148}, type = {Journal Article}, abstract = {

We report on the synthesis and characterization of a new thermothickening polymer (PAA-g-(MPEG-b-PCL)) based on the grafting of a block copolymer of mono methoxy poly (ethylene glycol){\textendash}b-poly (caprolactone) (MPEG-b-PCL) onto poly (acrylic acid) (PAA). Rheological experiments reveal that aqueous solutions of PAA-g-(MPEG-b-PCL) exhibit interesting irreversible thermothickening behavior above a certain polymer concentration and critical temperature. Light scattering experiments show that increasing temperature induces hydrophobic associations and subsequent aggregation leading to gel formation which is irreversible. The mechanism of thermo thickening was examined at the molecular level by NMR methods which indicated unassembled and assembled environments of the MPEG-b-PCL grafts. On heating, interactions between the graft side chains are significantly enhanced and molecular mobility in the assembled microdomains is reduced. The stable well ordered microdomains that are formed on heating are retained on cooling thus, leading to irreversible gelation.

}, keywords = {Hydrophobically modified poly (acrylic acid), Light scattering, Methoxy polyethylene glycol-b-polycaprolactone (MPEG-b-PCL) copolymer, Rheology, Thermo gelation}, issn = {323861}, doi = {10.1016/j.polymer.2018.06.031}, author = {Tiwari, Neha}, editor = {Shedge, Aarti} } @article {44601, title = {THiCweed: fast, sensitive detection of sequence features by clustering big datasets}, journal = {Nucleic Acids Research}, volume = {46}, year = {2018}, month = {MAR}, pages = {e29}, abstract = {

We present THiCweed, a new approach to analyzing transcription factor binding data from high-throughput chromatin immunoprecipitation-sequencing (ChIP-seq) experiments. THiCweed clusters bound regions based on sequence similarity using a divisive hierarchical clustering approach based on sequence similarity within sliding windows, while exploring both strands. ThiCweed is specially geared toward data containing mixtures of motifs, which present a challenge to traditional motif-finders. Our implementation is significantly faster than standard motif-finding programs, able to process 30 000 peaks in 1-2 h, on a single CPU core of a desktop computer. On synthetic data containing mixtures of motifs it is as accurate or more accurate than all other tested programs. THiCweed performs best with large {\textquoteleft}window{\textquoteright} sizes (\>50 bp), much longer than typical binding sites (7-15 bp). On real data it successfully recovers literature motifs, but also uncovers complex sequence characteristics in flanking DNA, variant motifs and secondary motifs even when they occur in \<5\% of the input, all of which appear biologically relevant. We also find recurring sequence patterns across diverse ChIP-seq datasets, possibly related to chromatin architecture and looping. THiCweed thus goes beyond traditional motif finding to give new insights into genomic transcription factor-binding complexity.

}, issn = {0305-1048}, doi = {10.1093/narlgkx1251}, author = {Agrawal, Ankit and Sambare, Snehal V. and Narlikar, Leelavati and Siddharthan, Rahul} } @article {45349, title = {Three-dimensional metal-organic polymer of multivalent hexaphenylbenzene}, journal = {ChemistrySelect}, volume = {3}, year = {2018}, month = {DEC}, pages = {13712-13715}, type = {Article}, abstract = {

Metal-Organic Frameworks(MOFs) synthesized from ligands more than ten co-ordinating sites may offer material applications due to their structural architecture. Herein, a synthesis of metal-organic framework is reported from a ligand featuring 12-aryl carboxylic acid groups appended on a hexaphenylbenzene and s-block element potassium. The synthesized MOF was characterized by thermogravimetric analysis, infrared spectroscopy and X-diffraction studies. The X-ray crystal structure of MOF was shown to have a significant number of trapped and coordinated water molecules in its three-dimensional framework.

}, doi = {10.1002/slct.201802797}, author = {Madhu, Suresh and Gonnade, Rajesh G. and Sanjayan, Gangadhar J.} } @article {44179, title = {To form layer by layer composite film in view of its application as supercapacitor electrode by exploiting the techniques of thin films formation just around the corner}, journal = {Electrochimica Acta}, volume = {265}, year = {2018}, month = {MAR }, pages = {556-568}, type = {Article}, abstract = {A method is described to form robust composite supercapacitor electrodes consisting of polyaniline (PANI)-graphene (GNS) and PANI-MoS2 nanosheets wherein composites are formed by Layer by Layer (LbL) deposition. PANI layer consisting of 10-15 nm particle size was formed by LLIRT, while GNS and MoS2 layers were formed by modified LLIRT. A special feature of the development is the architecture which is rarely found in the literature wherein singular components are stacked over each other to form a composite. The architecture is found to show strong synergistic effects suitable for high performance supercapacitor applications. The composites were characterized by using X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM) etc. The characterization indicates the formation of composites having uniform distribution of PANI nanoparticles over the 2D nanosheets of GNS and MoS2 respectively. The electrochemical performance of the composites was evaluated by cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and Galvanostatic Charge Discharge (GCD). The composite layer consisting of PANI-GNS alternate layers, showed an excellent specific capacitance (C-sp) of 549 Fg(-1) while PANI-MoS2 alternate layers and PANI layers showed C-sp to be (413 F g(-1)) and (185 F g(-1)) respectively. It is proposed that C-sp stability of the composites is greatly enhanced by the architecture of composite formation through LbL deposition approach. PANI-GNS showed high stability (95\% retention of C-sp), PANI-MoS2 (94\% retention of C-sp) as against single component capacitance of PANI (67\% retention of C-sp). The results reveal the importance of the architecture of composite formation. The architecture of depositing alternate layers of components to form a composite would have special properties leading to synergistic effect in the applications. The present communication is a proof of this concept. It shows the boost in the charge storage resulting in stable robust supercapacitors formation. We predict similar advantages in other applications such as solar energy conversion, sensors, catalysis, etc. (C) 2018 Elsevier Ltd. All rights reserved.}, keywords = {GNS, Layer-by-Layer deposition, MoS2 nanosheets, polyaniline, Supercapacitors}, issn = {0013-4686}, doi = {10.1016/j.electacta.2018.01.165}, author = {Patil, Sagar H. and Gaikwad, Aarti P. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article {45485, title = {Total synthesis and biological evaluation of cell adhesion inhibitors peribysin A and B: structural revision of peribysin B}, journal = {Organic letters }, volume = { 20}, year = {2018}, month = {NOV}, pages = {7003-7006}, type = {Article }, abstract = {Total synthesis of potent cell-adhesion inhibitors peribysins A and B has been accomplished for the first time in racemic form. A Diels-Alder/aldol sequence to build the skeleton and decoration of the desired functionalities of the targeted natural products using highly stereoselective operations are the highlights. The structures of synthesized peribysins were fully characterized using spectral data and single-crystal X-ray analysis. Through this total synthesis, the initially proposed structure of peribysin B has been revised. Furthermore, the cell-adhesion inhibition potential of the scaffold (two peribysins + three analogues) was confirmed using anti-adhesion assay.}, issn = {1523-7060}, doi = { 10.1021/acs.orglett.8b02838}, author = {Kalmode, Hanuman P. and Handore, Kishor L. and Rajput, Raveena and Shaikh, Samir R. and Gonnade, Rajesh G. and Kulkarni, Kiran A. and Reddy, D. Srinivasa} } @article {45380, title = {Total synthesis of an anticancer natural product (+/-)-peharmaline A and its analogues}, journal = { European Journal of Organic Chemistry}, year = {2018}, month = {DEC}, pages = {6453-6456}, type = {Article}, abstract = {

First total synthesis of a rare beta-carboline-vasicinone hybrid alkaloid (+/-)-peharmaline A has been accomplished in just 3 steps starting from known compounds. Stereoselective Pictet-Spengler reaction to nitrogenated tertiary carbon center and one-pot construction of the tricyclic skeleton of vasicinone are the highlights of present synthesis. We have also synthesized structurally close analogues of the natural product by following the developed route.

}, issn = {1434-193X}, doi = {10.1002/ejoc.201800949}, author = {Kulkarni, Akshay S. and Shingare, Rahul D. and Dandela, Rambabu and Reddy, D. Srinivasa} } @article {45414, title = { Total synthesis of notoryne}, journal = {Journal of Organic Chemistry}, volume = {83}, year = {2018}, month = {OCT}, pages = {12863-12868}, type = {Article}, abstract = {The structure of notoryne comprises a halogenated 2,2{\textquoteright}-bifuranyl moiety along with a terminal cis-enyne unit. In this work, we document the first total synthesis of notoryne, confirming its assigned relative and absolute configurations. The devised route comprises a glucose diacetonide-derived chiral pool intermediate as the starting point and 5-endo bromo-etherification for making the key bis-furan unit, anomeric C-allylation, as well as a relay cross-metathesis to install the cis-enyne unit.}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b01757}, author = {Senapati, Sibadatta and Das, Shyamsundar and Ramana, Chepuri V.} } @article {44183, title = {Tracking HOCl concentrations across cellular organelles in real time using a super resolution microscopy probe}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {FEB}, pages = {1849-1852}, type = {Article}, abstract = {

BODIPY derivative, SF-1, exclusively shows a fluorescence ON response to HOCl and images endogenously generated HOCl in RAW 264.7 macrophages. Widefield and super resolution structured illumination microscopy images confirm localization in the Golgi complex and lysosomes, and hence specifically detects HOCl generated in these organelles. SF-1 is compatible with 3D-SIM imaging of individual cells.

}, issn = {1359-7345}, doi = {10.1039/c7cc09433g}, author = {Ali, Firoj and Aute, Sunil and Sreedharan, Sreejesh and Anila, H. A. and Saeed, Hiwa K. and Smythe, Carl G. and Thomas, Jim A. and Das, Amitava} } @article {44468, title = {Transition metal free regio-selective C{\textendash}H hydroxylation of chromanones towards the synthesis of hydroxyl-chromanones using PhI(OAc)2 as the oxidant}, journal = {Chemical Communications}, volume = {54}, year = {2018}, month = {FEB}, pages = {2252-2255}, type = {Journal Article}, abstract = {

The chromanone scaffold is considered as a privileged structure in drug discovery. Herein, we report a highly efficient PhI(OAc)2 mediated regioselective, direct C{\textendash}H hydroxylation of chromanones. This method offers easy access to substituted 6-hydroxy chromanones in moderate to good isolated yields, thus paving the way for their pharmaceutical studies.

}, issn = {13597345}, doi = {10.1039/C7CC08588E}, author = {Viswanadh, N.}, editor = {Ghotekar, Ganesh S.} } @article {44625, title = {Triazole-diindolylmethane conjugates as new antitubercular agents: synthesis, bioevaluation, and molecular docking}, journal = {MedChemComm}, volume = {9}, year = {2018}, month = {JUL }, pages = {1114-1130}, abstract = {

We describe the synthesis of novel triazole-incorporated diindolylmethanes (DIMs) using a molecular hybridization approach. The in vitro antitubercular activity of the DIMs against Mycobacterium tuberculosis H37Ra (ATCC 25177) was tested in the active and dormant state. Among all the synthesized conjugates, the compounds 6b, 6f, 6l, 6n, 6q, 6r, and 6s displayed good antitubercular activity against both the active and dormant Mtb H37Ra strain. The compound 6l exhibited good antitubercular activity against dormant Mtb H37Ra with an IC50 value of 1 g mL(-1) and IC90 (MIC) value of 3 g mL(-1). The compounds 6b, 6l, and 6r displayed good antitubercular activity against active Mtb H37Ra with IC50 values of 2.19, 1.52, and 0.22 g mL(-1), respectively. The compounds 6b, 6h, 6l, and 6s displayed more than 70\% inhibition against the Gram-positive Bacillus subtilus strain at 3 g mL(-1). The molecular docking study showed the binding modes of the titled compounds in the active site of the DprE1 enzyme and assisted with elucidating a structural basis for the inhibition of Mycobacteria.

}, issn = {2040-2503}, doi = {10.1039/c8md00055g}, author = {Danne, Ashruba B. and Choudhari, Amit S. and Chakraborty, Shakti and Sarkar, Dhiman and Khedkar, Vijay M. and Shingate, Bapurao B.} } @article {44467, title = {Triflic acid-catalyzed metal-free synthesis of (E)-2-cyanoacrylamides and 3-substituted azetidine-2,4-diones}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {MAR}, pages = {6433-6440}, type = {Journal Article}, abstract = {

A TfOH-catalyzed highly efficient synthesis of biologically active (E)-2-cyanoacrylamides and 3-substituted azetidine-2,4-diones has been reported with 64{\textendash}94\% yields under metal-free conditions. The reaction proceeds through sequential Knoevenagel condensation/stereoselective in situ monohydration of nitrile or C{\textendash}N cyclization protocol in one-pot. The attractive features of this tandem process are moderate reaction conditions, high atom economy, broad substrate scope, gram-scale reaction and ease of operation.

}, doi = {10.1039/C7NJ05169G}, author = {Rupanwar, Bapurao D. and Chavan, Santosh S. and Shelke, Anil M. and Suryavanshi, Gurunath M.} } @article {44463, title = {Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera}, journal = {Insect Biochemistry and Molecular Biology }, volume = {95}, year = {2018}, month = {APR }, pages = {17-25}, type = {Journal Article}, abstract = {

Potato type II protease inhibitors (Pin-II PIs) impede the growth of lepidopteran insects by inhibiting serine protease-like enzymes in the larval gut. The three amino acid reactive centre loop (RCL) of these proteinaceous inhibitors is crucial for protease binding and is conserved across the Pin-II family. However, the molecular mechanism and inhibitory potential of the RCL tripeptides in isolation of the native protein has remained elusive. In this study, six peptides corresponding to the RCLs of the predominant Pin-II PIs were identified, synthesized and evaluated for in vitro and in vivo inhibitory activity against serine proteases of the polyphagous insect, Helicoverpa armigera. RCL peptides with sequences PRN, PRY and TRE were found to be potent inhibitors that adversely affected the growth and development of H. armigera. The binding mechanism and differential affinity of the RCL peptides with serine proteases was delineated by crystal structures of complexes of the RCL peptides with trypsin. Residues P1 and P2 of the inhibitors play a crucial role in the interaction and specificity of these inhibitors. Important features of RCL peptides like higher inhibition of insect proteases, enhanced efficacy at alkaline gut pH, longer retention and high stability in insect gut make them suitable molecules for the development of sustainable pest management strategies for crop protection.

}, keywords = {Helicoverpa armigera, Protease, protease inhibitor, Reactive centre loop peptides}, issn = {9651748}, doi = {10.1016/j.ibmb.2018.02.001}, author = {Saikhedkar, Nidhi S. and Joshi, Rakesh S. and Bhoite, Ashwini S. and Mohandasan, Radhika and Yadav, Amit Kumar and Giri, Ashok P.} } @article {45467, title = {Tuning controlled release behavior of starch granules using nanofibrillated cellulose derived from waste sugarcane bagasse}, journal = { ACS Sustainable Chemistry \& Engineering }, volume = {6}, year = {2018}, month = {JUL}, pages = { 9208-9217}, type = {Article}, abstract = {Controlled release formulations help to encapsulate agrochemicals and deliver at a sustained rate. Growing environmental challenges have increased the need for controlled release systems based on sustainable feed-stocks. To this end, we report here the preparation and properties of a monolith-type controlled release granular formulation based on two ubiquitous biopolymers, starch and cellulose. Cellulose nanofibers (CNFs) derived from waste sugarcane bagasse were mixed with gelatinized maize starch and urea formaldehyde to yield nanocomposite granular formulation. Dimethyl phthalate (DMP) was used as model encapsulant. The morphology of CNFs and CNFreinforced starch granules was characterized by transmission electron microscopy, scanning electron microscopy, BET porosimetry, and X-ray tomography. Incorporation of only 2-4 wt \% CNFs led to a significant reduction in porosity as compared to that for neat starch granules, while the water uptake was enhanced by 20-30\%. Reinforcing starch with CNFs led to a significant reduction in initial release rate and yet higher overall release of DMP, thereby allowing effective utilization of entrapped chemicals. This interesting release behavior could be attributed to two competing factors, water uptake-induced diffusion and barrier effects rendered by nanocellulose network.}, issn = { 2168-0485}, doi = {10.1021/acssuschemeng.8b01545}, author = {Patil, Mayur D. and Patil, Vishal D. and Sapre, Aditya A. and Ambone, Tushar S. and Torris, Arun A. T. and Shukla, Parshuram G. and Shanmuganathan, Kadhiravan} } @article {45437, title = {Tuning the basicity of Cu-based mixed oxide catalysts towards the efficient conversion of glycerol to glycerol carbonate}, journal = {Molecular catalysis}, volume = {460}, year = {2018}, month = {DEC}, pages = {53-62}, type = {Article}, abstract = {A series of efficient and robust Cu based mixed oxides were synthesized by a simple co-precipitation method and utilized for the production of glycerol carbonate (GC) via transesterification of glycerol with dimethyl carbonate (DMC). The synthesized materials were characterized using XRD, UV-vis spectroscopy, SEM, TEM, N-2 sorption, CO2-TPD, and XPS. The addition of Cu on Mg/Al mixed oxides exhibits significant changes in its physicochemical properties and catalytic activity. The obtained mixed oxides showed remarkably high transesterification activity towards the efficient conversion of glycerol to GC under economical reaction conditions without using any solvent. Among all the catalysts employed, highest catalytic activity was observed over MAC-0.6 catalyst with glycerol conversion of 96.4\% and GC yield of 91.2\%. The improved catalytic performance was observed mainly due to the optimized catalyst molar ratio and strong surface basicity. The strong surface basic sites were greatly attributed to the incorporation of Cu2+ cations in the MgAl (O) periclase that efficiently catalyzed the transesterification of glycerol with DMC. Furthermore, the reported catalyst was robust and could be recycled for more than five times without any significant loss in its catalytic activity.}, issn = {2468-8231}, doi = {10.1016/j.mcat.2018.09.002}, author = {Manikandan, Marimuthu and Prabu, Marimuthu and Kumar, S. K. Ashok and Sangeetha, Palanivelu and Vijayaraghavan, Rajagopalan} } @article {45374, title = { Twelve-armed hexaphenylbenzene-based giant supramolecular framework for entrapping guest molecules}, journal = {ChemPlusChem}, volume = {83}, year = {2018}, month = {NOV}, pages = {1032-1037}, type = {Article}, abstract = {

Host-guest chemistry is a functional model in supramolecular chemistry for understanding specific process occurring in biological systems. Herein, we describe a rationally designed giant multiarmed hexaphenylbenzene (HPB)-based supramolecular frameworks which encapsulate a variety of guest molecules in the voids of their crystal lattice through the cooperative interplay of multivalency, noncovalent forces and backbone rigidity. In this connection, pseudo-axially substituted twelve-armed hexaphenylbenzene was synthesized and its molecular entrapping nature was studied by varying number of H-bond donor-acceptor sites in the arms. The per-methyl esterified HPB acted as a cavitand to include nonpolar and polar aprotic guests in its crystal structure via C-H center dot center dot center dot pi, C-H center dot center dot center dot O and C-H center dot center dot center dot N interactions. The corresponding amidated HPB showed unprecedented inclusion of ammonia and segregation of the guest molecules according to their polarity in the lattice. Furthermore, this molecular entrapping system has been used to obtain the crystal structure of a hitherto unproven 2-azaallenium intermediate, which had been proposed to be involved in aminomethylation of activated arenes.

}, issn = { 2192-6506}, doi = {10.1002/cplu.201800478}, author = {Madhu, Suresh and Gonnade, Rajesh G. and Das, Tamal and Vanka, Kumar and Sanjayan, Gangadhar J.} } @article {44442, title = {Two stereocentered HKR of anti-β,β'-diphenylpropanoxirane and anti-3-phenylethyloxiranes catalysed by Co(III)(salen)-OAc complex: enantioselective synthesis of (+)-sertraline and (+)-naproxen}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {May 2018}, pages = {10414-10420}, type = {Journal Article}, abstract = {

The Co(III)(salen)OAc-catalyzed two stereocentered hydrolytic kinetic resolution (HKR) of anti-β,β'-diphenylmethyloxirane and anti-3-phenylethyloxiranes affords the corresponding anti-1,2-diols and oxiranes in high enantiomeric excess. The synthetic potential of this methodology is demonstrated by the enantioselective synthesis of (+)-sertraline, an antidepressant drug, and (+)-naproxen, an anti-inflammatory drug.

}, issn = {11440546}, doi = {10.1039/c8nj01616j}, author = {Kamble, Rohit B.}, editor = {Devalankar, Dattatraya} } @article {45456, title = {Ultrasound assisted synthesis of 4-(Benzyloxy)-N-(3-chloro-2-(substitutedphenyl)-4-oxoazetidin-1-yl) benzamide as challenging anti-tubercular scaffold}, journal = { Molecules}, volume = {23}, year = {2018}, month = {AUG}, pages = {Article No: 1945}, type = {Article}, abstract = {

A series of ten novel derivatives of 4-(benzyloxy)-N-(3-chloro-2-(substituted phenyl)-4-oxoazetidin-1-yl) benzamide 6a-j were synthesized in good yield from the key compound 4-(benzyloxy)-N-(substituted benzylidene) benzo hydrazide, called Schiff {\textquoteleft}s bases 5a-j, by Staudinger reaction ([2 + 2] ketene-imine cycloaddition reaction) with chloro acetyl chloride in the presence of catalyst tri ethylamine and solvent dimethyl formamide (DMF), by using ultra-sonication as one of the green chemistry tools. All the synthesised compounds were evaluated for in vitro anti-tubercular activity against Mycobacterium tuberculosis (MTB) and most of them showed promising activity with an IC50 value of less than 1 mu g/mL. To establish the safety, all the synthesized compounds were further tested for cytotoxicity against the human cancer cell line HeLa and all 6a-j compounds were found to be non-cytotoxic in nature. The molecular docking study was carried out with essential enzyme InhA (FabI/ENR) of Mycobacterium responsible for cell wall synthesis which suggests that 6a and 6e are the most active derivatives of the series. The theoretical evaluation of cell permeability based on Lipinski{\textquoteright}s rule of five has helped to rationalize the biological results and hence the synthesized azetidinone derivatives 6a-j were also analyzed for physicochemical evaluation that is, absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties and the results showed that all the derivatives could comply with essential features required for a potential lead in the anti-tubercular drug discovery process.

}, keywords = {ADMET study, anti-tubercular screening, azetidinone, cytotoxicity study, green chemistry, Molecular docking, ultra-sonication}, issn = {1420-3049}, doi = {10.3390/molecules23081945}, author = {Nimbalkar, Urja D. and Seijas, Julio A. and Borkute, Rachna and Damale, Manoj G. and Sangshetti, Jaiprakash N. and Sarkar, Dhiman and Nikalje, Anna Pratima G.} } @article {45429, title = {Understanding conformational dynamics of complex lipid mixtures relevant to biology}, journal = {Journal of membrane biology}, volume = {251}, year = {2018}, month = {DEC}, pages = {609-631}, type = {Article}, abstract = {This is a perspective article entitled "Frontiers in computational biophysics: understanding conformational dynamics of complex lipid mixtures relevant to biology" which is following a CECAM meeting with the same name.}, issn = {0022-2631 }, doi = {10.1007/s00232-018-0050-y}, author = {Friedman, Ran and Khalid, Syma and Aponte-Santamaria, Camilo and Arutyunova, Elena and Becker, Marlon and Boyd, Kevin J. and Christensen, Mikkel and Coimbra, Joao T. S. and Concilio, Simona and Daday, Csaba and van Eerden, Floris J. and Fernandes, Pedro A. and Graeter, Frauke and Hakobyan, Davit and Heuer, Andreas and Karathanou, Konstantina and Keller, Fabian and Lemieux, M. Joanne and Marrink, Siewert J. and May, Eric R. and Mazumdar, Antara and Naftalin, Richard and Pickholz, Monica and Piotto, Stefano and Pohl, Peter and Quinn, Peter and Ramos, Maria J. and Schiott, Birgit and Sengupta, Durba and Sessa, Lucia and Vanni, Stefano and Zeppelin, Talia and Zoni, Valeria and Bondar, Ana-Nicoleta and Domene, Carmen} } @article {44352, title = {Understanding interactions between lignin and ionic liquids with experimental and theoretical studies during catalytic depolymerisation}, journal = {Catalysis Today}, volume = {309}, year = {2018}, month = {JUL}, pages = {98-108}, type = {Article}, abstract = {Compared to H2SO4, Bronsted acidic ionic liquid (BAIL, [C3SO3HMIM][HSO4]) catalyzed depolymerization of lignin yielded higher concentration of low molecular weight products under mild conditions (120 degrees C) as proven by GC and GC-MS. To comprehend this disparity in catalytic activity among H2SO4 and BAIL (at similar H+ concentration), experimental techniques [1D(H-1) NMR, 2D(N-15/H-1 HMBC) NMR and RAMAN] have been employed. Based on these studies, it has been proven that the transfer of electron density from substrate to the electron deficient imidazolium ring via formation of hydrogen bond between -OH/OCH3 (substrate) and -N1C2H2N3-(cation) is possible, while the anion plays an important role. Further, density functional theory (DFT) calculations also corroborated this fact by showing a change in the bond angle and decrease in bond length (C-2-H-2 in imidazole), due to the presence of weak and strong hydrogen bonding between the substrate and IL.}, doi = {10.1016/j.cattod.2017.09.050}, author = {Singh, Sandip Kumar and Banerjee, Subhrashis and Vanka, Kumar and Dhepe, Paresh Laxmikant} } @article {44384, title = {Unravelling the nucleophilicity of buten tides for 1,6-conjugate addition to p-quinone methides: a direct access to diversely substituted butenolide-derived diarylmethanes}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {MAY}, pages = {2787-2791}, abstract = {A Lewis acid catalyzed regioselective C-C bond is constructed through beta-addition of deconjugated butenolides with p-quinone methides in a 1,6-conjugate addition manner. Interestingly, Lewis acid catalyzed vinylogous Mukaiyama-Michael reaction of silyloxyfurans with p-QMs proceeds selectively through the alpha or gamma position exclusively. The reaction is mild with broad substrate scope, thus allowing easy access to a wide range of bis-arylated alpha-/beta-/gamma-substituted butenolides.}, doi = {10.1021/acs.orglett.8b00745}, author = {Sharma, Brijesh M. and Shinde, Dinesh R. and Jain, Ruchi and Begari, Eeshwaraiah and Satbhaiya, Shruti and Gonnade, Rajesh G. and Kumar, Pradeep} } @article {44439, title = {Untapped bacterial diversity and metabolic potential within Unkeshwar hot springs, India}, journal = {Archives of Microbiology}, volume = {200}, year = {2018}, month = {JUL }, pages = {753-770}, type = {Journal Article}, abstract = {

Hot springs support diverse and interesting groups of microorganisms adapted to extreme conditions and gaining attention in biotechnological applications. However, due to limitations of cultivation methods, a majority of such extremophiles remain uncultivated and unexplored. The advent of multiple cultivation conditions and specialized culture media could possibly aid to access the unexplored microbial portion of hot springs. In the present study, different media and isolation strategies were applied to isolate hitherto unexplored bacterial taxa in the water samples collected from Unkeshwar hot springs, India. Molecular, phylogenetic and predictive functional characterization of the isolated bacterial population was done using 16S rRNA sequencing coupled with Tax4Fun tools. Furthermore, representative isolates were screened for important enzymes (cellulase, xylanase, amylase, and protease) and heavy metal tolerance (chromium, arsenic) properties. A total of 454 bacterial isolates obtained were mapped into 57 unique bacterial genera and 4 different bacterial phyla. Interestingly, 37 genera not previously isolated from Indian hot springs, were isolated for the first time in the present study. However, most of these genera (23 out of 37) were reported only in metagenomics studies from Indian and global hot springs. Furthermore, around 14 genera not previously cultivated and not detected in metagenomics studies of hot springs are documented here. The metabolic potential was ascertained by determining the abundance of specific genes using in silico based Tax4Fun tool, which identified around 315 metabolic pathways for metabolism of carbohydrates, synthesis of secondary metabolites and degradation of xenobiotic compounds. Bioprospection study revealed that 33 and 25 bacterial genera were positive for enzyme production and resistance to the heavy metals, respectively. The present study revealed the advantages of cultivation methods using a comprehensive multiple isolation approach for exploring untapped and unique bacterial diversity, and also utilities for various biotechnological and environmental applications.

}, keywords = {Bacterial diversity, Bioprospecting, Cultivation, Heavy metals, Untapped}, issn = {3028933}, doi = {10.1007/s00203-018-1484-4}, author = {Mehetre, Gajanan T.}, editor = {Shah, Manan} } @article {44434, title = {Vanadium-based polyoxometalate complex as a new and efficient catalyst for phenol hydroxylation under mild conditions}, journal = {New Journal of Chemistry}, volume = {42}, year = {2018}, month = {APR}, pages = {5142-5152}, type = {Article}, abstract = {

An eco-compatible catalytic protocol for H2O2 induced hydroxylation of phenol (PH) to catechol (CT) and hydroquinone (HQ) in aqueous medium, using a polyoxovanadate (POV) complex as the catalyst, is described. The synthesis of the POV catalyst, with a new type of three dimensional framework, Na6(H2O)22(V10O28)2H2O (1) was accomplished by establishing a non-hydrothermal one-step methodology under mild conditions. The catalyst was characterized by elemental analysis, spectral studies, single crystal X-ray diffraction studies, and Brunauer{\textendash}Emmett{\textendash}Teller (BET) and TGA analysis. Under optimum conditions of reaction, conducted at ambient temperature, the phenol conversion reached up to 55.4\% providing a TON of 138. The catalyst could be recovered easily and recycled at least up to three cycles without significant change in activity. The developed methodology is operationally simple and free from halogenated solvents or any other hazardous additives.

}, issn = {11440546}, doi = { 10.1039/c7nj04433j}, author = {Sharma, Mitu and Saikia, Gangutri and Ahmed, Kabirun and Gogoi, Sandhya Rani and Puranik, Vedavati G. and Islam, Nashreen S.} } @article {44610, title = {WRKY1 acts as a key component improving resistance against Alternaria solani in wild tomato, Solanum arcanum Peralta}, journal = {Plant Biotechnology Journal }, volume = {16}, year = {2018}, month = {AUG}, pages = {1502-1513}, abstract = {

Early blight (EB), caused by Alternaria solani, is a major threat to global tomato production. In comparison with cultivated tomato (Solanum lycopersicum), a wild relative, S.arcanum exhibits strong resistance against EB. However, molecular cascades operating during EB resistance in wild or cultivated tomato plants are largely obscure. Here, we provide novel insight into spatio-temporal molecular events in S.arcanum against A.solani. Transcriptome and co-expression analysis presented 33-WRKYs as promising candidates of which 12 SaWRKYs displayed differential expression patterns in resistant and susceptible accessions during EB disease progression. Among these, SaWRKY1 exhibited induced expression with significant modulation in xyloglucan endotrans hydrolase 5 (XTH5) and MYB2 expressions that correlated with the disease phenotypes. Electro-mobility shift assay confirmed physical interaction of recombinant SaWRKY1 to SaXTH5 and SaMYB2 promoters. Comparative WRKY1 promoter analysis between resistant and susceptible plants revealed the presence of crucial motifs for defence mechanism exclusively in resistant accession. Additionally, many defence-related genes displayed significant expression variations in both the accessions. Further, WRKY1 overexpressing transgenic plants exhibited higher levels of EB resistance while RNAi silencing lines had increased susceptibility to A.solani with altered expression of XTH5 and MYB2. Overall, these findings demonstrate the positive influence of WRKY1 in improving EB resistance in wild tomato and this could be further utilized as a potential target through genetic engineering to augment protection against A.solani in crop plants.

}, keywords = {Alternaria solani, early blight, Solanum arcanum, Tomato, WRKY1, XTH5}, issn = {1467-7644}, doi = {10.1111/pbi.12892}, author = {Shinde, Balkrishna A. and Dholakia, Bhushan B. and Hussain, Khalid and Aharoni, Asaph and Giri, Ashok P. and Kamble, Avinash C.} } @article {46127, title = {3-D nanoribbon-like Pt-free oxygen reduction reaction electrocatalyst derived from waste leather for anion exchange membrane fuel cells and zinc-air batteries}, journal = {Nanoscale}, volume = {11}, year = {2019}, month = {APR }, pages = {7893-7902}, type = {Article}, abstract = {

Fe-N-x and Fe-S-based ORR electrocatalysts have emerged as rightful candidates to replace Pt in fuel cells to make the technology cheap and sustainable. Fe-N-C catalysts are generally prepared by the pyrolysis of conducting polymers, metal-organic frameworks, aerogels, etc., and the combination of multiple heteroatoms and metal precursors. These precursors are mostly expensive and their synthesis involves multiple steps. In this report, we have demonstrated the synthesis of a Fe-N-C catalyst from the waste leather obtained from the footwear and other leather-consuming industries. The pyrolysis of leather with FeCl3 (metal source) results in the formation of a highly thin and porous nano-ribbon like morphology. Waste leather acts as a cost-free single source of heteroatoms like N, S and carbon. The catalyst synthesized at a temperature of 900 degrees C shows an overpotential of 40 mV and better durability compared to the commercial Pt/C catalyst. The catalyst is demonstrated as the cathode for alkaline exchange membrane fuel cell (AEMFC) and zinc-air battery (ZAB) applications. In the AEMFC, a power density of 50 mW cm(-2) and an OCV of 0.92 V are obtained whereas, in the ZAB, it exhibited a power density of 174 mW cm(-2) compared to 160 mW cm(-2) of the system based on the Pt/C catalyst.

}, issn = {2040-3364}, doi = {10.1039/c9nr00977a}, author = {Soni, Roby and Bhange, Siddheshwar N. and Kurungot, Sreekumar} } @article {46347, title = {Acidic handle assemble heterogeneous carbocatalyst for facile aliphatic nucleophilic fluorination}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {SEP }, pages = {10960-10964}, type = {Article}, abstract = {

Acidic handle (-SO3H) assemble carbonaceous catalyst synthesized from glucose acts as a modulator for the nucleophilic fluorination reaction. The heterogeneous catalyst works with various alkyl sulfonate, halide and metal fluoride (MF), to offer a high yield of fluorinated products up to 93\%. This carbonaceous catalyst is recyclable for more than five times, with no major loss of activity.

}, keywords = {fluorination, heterogeneous catalysis}, issn = {2365-6549}, doi = {10.1002/slct.201902771}, author = {Said, Madhukar S. and Pandole, Satish and Suryavanshi, Amol and Kumar, Pradeep and Gajbhiye, Jayan M.} } @article {47169, title = {Actin cytoskeleton and membrane interactions: role in GPCR function and organization}, journal = {Proceedings of the Indian National Science Academy}, volume = {85}, year = {2019}, month = {SEP}, type = {Article}, abstract = {

Cell signaling networks are generally initiated at the cell membrane and mediated by receptors such as the G proteincoupled receptors (GPCRs). Adjacent to the cell membrane lies a complex network of proteins - the actin cytoskeleton to which several structural and physiological roles have been attributed. An emerging role of the cytoskeleton is to modulate GPCR function and organization, either directly or indirectly. The GPCR-cytoskeleton cross-talk is a complex hierarchical process where each step has its own set of rules and combinations. Due to the inherent complexity involved at each step and the multiple spatio-temporal levels, a complete picture is yet to emerge. In this review article, we provide an overview of actin-membrane interactions and how they modulate GPCR function and organization.

}, author = {Prakash, Shikha and Krishna, Anjali and Sengupta, Durba} } @article {46083, title = {Advances in the experimental and theoretical understandings of antibiotic conjugated gold nanoparticles for antibacterial applications}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {JUN }, pages = {6719-6738}, type = {Review}, abstract = {

The worldwide bacterial resistance to a wide range of antibiotics originates a global health concern and calls for the development of new antibacterial agents. Over the recent years, nanomaterials-based agents have been proven to be useful for the effective antibacterial applications. Notably, the gold nanoparticles (AuNPs) draw particular attention due to their biological inertness and easy surface functionalization. It is now established that the antibiotic functionalization on the AuNPs surfaces increases the antibacterial efficacy even towards the antibiotic-resistant bacterial cells. Moreover, the antibacterial efficacy can be further enhanced by photothermal therapy using antibiotic conjugated AuNPs. In this review article, we have reviewed the advances in the development of the synthesis methods of antibiotic conjugated AuNPs and gold nanoclusters, and their antibacterial efficacy. We have also discussed the developments in the theoretical understandings behind the interaction of antibiotic molecules with gold surface and its relation to the antibacterial activity. We believe that few parameters including the selection of antibiotic molecules, the method of its attachment to AuNPs, the purification of antibiotic conjugated AuNPs, and the quantification of conjugated antibiotic are crucial and needs to be properly addressed. Moreover, there are many other future directions discussed, for using antibiotic conjugated AuNPs more effectively for antibacterial therapy.

}, keywords = {Antibacterial, antibiotic, DFT calculations, gold nanocluster, Gold nanoparticle, multi-drug resistance, photo-thermal therapy}, issn = {2365-6549}, doi = {10.1002/slct.201900083}, author = {Khandelwal, Puneet and Singh, Dheeraj K. and Poddar, Pankaj} } @article {46326, title = {Ag nanoparticles supported on a resorcinol-phenylenediamine-based covalent organic framework for chemical fixation of CO2}, journal = {Chemistry-An Asian Journal }, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {

Covalent organic frameworks are a new class of crystalline organic polymers possessing a high surface area and ordered pores. Judicious selection of building blocks leads to strategic heteroatom inclusion into the COF structure. Owing to their high surface area, exceptional stability and molecular tunability, COFs are adopted for various potential applications. The heteroatoms lining in the pores of COF favor synergistic host-guest interaction to enhance a targeted property. In this report, we have synthesized a resorcinol-phenylenediamine-based COF which selectively adsorbs CO2 into its micropores (12 angstrom). The heat of adsorption value (32 kJ mol(-1)) obtained from the virial model at zero-loading of CO2 indicates its favorable interaction with the framework. Furthermore, we have anchored small-sized Ag nanoparticles (approximate to 4-5 nm) on the COF and used the composite for chemical fixation of CO2 to alkylidene cyclic carbonates by reacting with propargyl alcohols under ambient conditions. Ag@COF catalyzes the reaction selectively with an excellent yield of 90 \%. Recyclability of the catalyst has been demonstrated up to five consecutive cycles. The post-catalysis characterizations reveal the integrity of the catalyst even after five reaction cycles. This study emphasizes the ability of COF for simultaneous adsorption and chemical fixation of CO2 into corresponding cyclic carbonates.

}, keywords = {CO2 capture, covalent organic frameworks, cyclic carbonates, Propargyl alcohols, silver nanoparticles}, issn = {1861-4728}, doi = {10.1002/asia.201901157}, author = {Chakraborty, Debanjan and Shekhar, Pragalbh and Singh, Himan Dev and Kushwaha, Rinku and Vinod, C. P. and Vaidhyanathan, Ramanathan} } @article {46252, title = {AgNO3-Catalysed intramolecular cyclization: access to functionalized cyclopentanones and spiro-cyclopentanones }, journal = {Asian Journal of Organic Chemistry}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

An efficient AgNO3-catalysed method has been developed for the synthesis of functionalized cyclopentanones and spiro-cyclopentanones through intramolecular cyclization between ynones and cyanoacrylate/aryl/alkylidene malononitrile using DBU as a base. Easy availability of starting materials and mild reaction conditions makes this protocol more feasible over previously reported methods. The functionalized cyclopentanones and spiro-cyclopentanones were synthesized in good to excellent yields with a broad substrate scope.

}, doi = {10.1002/ajoc.201900453}, author = {Bhoite, Shubhangi P. and Bansode, Ajay H. and Burate, Pralhad A. and Suryayanshi, Gurunath} } @article {46050, title = {AgQDs employing black box synthetic strategy: photocatalytic and biological behavior}, journal = {Journal of Luminescence}, volume = {212}, year = {2019}, month = {AUG}, pages = {133-140}, type = {Article}, abstract = {

This investigation relates FRET, photocatalytic and a biological study of AgQDs which found to be dependent on particle size and capping agent used. Surface of AgQDs was one of the most important factors that govern its activity. AgQDs with BSA binding was systematically studied by fluorescence quenching and electrostatic interaction. AgQDs mainly interacted to site II of BSA, binding distance r evaluated according to the FRET theory and was 4.6 nm for AgQDs, which suggested transfer of energy (non-radioactive) between surface modified AgQDs and biological molecule BSA. The photocatalytic activity of AgQDs for the appreciable degradation of erythrosine dye using Ultraviolet-B light was investigated. AgQDs showed specific antibacterial activity against E. coli bacterial stain. Quantum dots displayed a pronounced and specific activity causing \> 50\% growth of COLO-205 and MCF-7 human cancer Cells at concentrations \< 10(-7 )M. Hence, present black box synthetic protocol of AgQDs could be life science application.

}, keywords = {AgQDs, Black box, COLO-205, Photocatalytic}, issn = {0022-2313}, doi = {10.1016/j.jlumin.2019.04.014}, author = {Pansare, Amol V. and Shedge, Amol A. and Chhatre, Shraddha Y. and Das, Debabrata and Murkute, Punam and Pansare, Shubham V. and Nagarkar, Amit A. and Patil, Vishwnath R. and Chakrabarti, S.} } @article {46205, title = {All-organic composites of ferro- and piezoelectric phosphonium salts for mechanical energy harvesting application}, journal = {Chemistry of Materials}, volume = {31}, year = {2019}, month = {AUG}, pages = { 5964-5972}, type = {A}, abstract = {

Molecular ferroelectrics owing to their lightweight, flexibility, and phase stability are drawing attention in the fields of flexible electronics, optical devices, and energy materials. In this paper, we report a series of binary organoamino phosphonium salts containing triphenyl isopropylaminophosphonium (TPAP), diphenyl diisopropylaminophosphonium (DPDP), phenyl triisopropylaminophosphonium (PTAP), and tetraisopropylaminophosphonium (TIAP) cations supported by lower symmetric tetrahedral BF4-, ClO4-, and IO4- anions. The P-E hysteresis loop measurements on these polar organic salts gave high remnant polarization (P-r) values of 35.36, 21.83, and 21.12 mu C cm(-2) for the DPDP center dot BF4, DPDP center dot ClO4, and DPDP center dot IO4 salts, respectively, having 1D hydrogen-bonded chain structures built from strong N-H center dot center dot center dot X (X = F or 0) interactions. For the first time, highly flexible composite devices have been prepared for the piezoelectric salts TPAP center dot BF4, DPDP center dot BF4, and TIAR center dot BF4 using thermoplastic polyurethane (TPU) as the matrix. The observed maximum peak-to-peak output voltages (V-pp) for the 10 wt \% composite devices of TPAP center dot BF4/TPU, DPDP center dot BF4/TPU, and TIAP center dot BF4/TPU are found to be 7.37, 8.95, and 4.75 V, respectively. These composite devices exhibit excellent durability, cycling stability, and viscoelastic properties. They also show the capacitor charging capabilities reaching their maximum charging points within 60 s.

}, doi = {10.1021/acs.chemmater.9b02409}, author = {Vijayakanth, Thangavel and Ram, Farsa and Praveenkumar, Balu and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {46411, title = {Altering the O/C ratio of lignin derived monomers without sacrificing atom efficiency}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {DEC}, pages = {14050-14055}, type = {Article}, abstract = {

Synthesis of platform and fuel grade chemicals from lignin without losing atom efficiency and lowering O/C ratio is a challenge in a bio-refinery concept. In this work, we report solid acid catalysed alkylation of lignin derived variety of monomers such as guaiacol, veretrole, phenol, anisole, and catechol using numerous alcohols as alkylating agents. Results elaborate that the type of acidity and structure of catalyst play important role in achieving higher dialkylated products (DAP). With 85\% conversion of guaiacol, 30.9\% DAP formation was achieved at 250 degrees C within 2 h. A unique substrate adsorption study on the catalyst surface and effect of solubility of substrates on the activity of catalyst is evaluated. Catalyst was observed to be recyclable with marginal loss in the activity due to handling error.

}, keywords = {Alcohols, Alkylation, lignin, Monomers, solid acid catalyst, Up-gradation}, issn = {2365-6549}, doi = {10.1002/slct.201903320}, author = {Singh, Dheerendra and Dhepe, Paresh L.} } @article {45538, title = {Aluminum cluster for CO and O-2 adsorption}, journal = {Journal of Molecular Modeling}, volume = {25}, year = {2019}, month = {JAN}, pages = {2}, type = {Article}, abstract = {

Low temperature oxidation of CO to CO2 is an important process for the environment. Similarly adsorption of CO from the releasing sources is also of major concern today. Whereas the potential of gold and silver clusters is well proven for thecatalysis of the above mentioned reaction, the potential of aluminum (Al) clusters remains unexplored. The present study proves that, similar to the transition metals, Al clusters can also be used for adsorption of gases. We first tested the potential of Al cluster as adsorbents for CO. The high binding energy (BE) values prove that Al clusters can be used for adsorbing both CO and O-2. Since oxygen binding is more facile, we adsorbed oxygen on Al and then checked the effect of this O-2 on the BE of CO. The results were obtained by DFT calculations at M062X/TZVP level of theory.

}, keywords = {Aluminum clusters, Charge decomposition analysis, CO adsorption, DFT, O-2 adsorption, Wiberg bond indices}, issn = {1610-2940}, doi = {10.1007/s00894-018-3869-3}, author = {Samanta, Bipasa and Sengupta, Turbasu and Pal, Sourav} } @article {46106, title = {Amphiphilic polypyridyl ruthenium complexes: synthesis, characterization and aggregation studies}, journal = {Polyhedron}, volume = {164}, year = {2019}, month = {MAY }, pages = {96-107}, type = {Article}, abstract = {

{Synthesis and characterization of five amphiphilic ruthenium(11) complexes of the type [Ru(Cn)(3)]center dot(PF6)(2) (Cn = 4,4{\textquoteright}-dialkyl-2,2{\textquoteright}-bipyridine

}, keywords = {2, 2 {\textquoteleft}-bipyridine, Aggregation, Amphiphilic ligand, Metallosurfactant, Ruthenium complexes}, issn = {0277-5387}, doi = {10.1016/j.poly.2019.02.035}, author = {Bhand, Sujit and Lande, Dipali N. and Pereira, Eulalia and Gejji, Shridhar P. and Weyhermueller, Thomas and Chakravarty, Debamitra and Puranik, Vedavati G. and Salunke-Gawali, Sunita} } @article {45583, title = {Aromatic polyesters containing cardo perhydrocumyl cyclohexylidene groups: synthesis, characterization and gas permeation study}, journal = {Journal of Macromolecular Science, Part A: Pure and Applied Chemistry}, volume = {56}, year = {2019}, month = {FEB}, pages = {136-145}, type = {Article}, abstract = {

Three bisphenols containing cardo perhydrocumyl cyclohexylidene group, namely; 1,1-bis(4-hydroxyphenyl)-4-perhydrocumylcyclohexane, 1,1-bis(4-hydroxy-3-methylphenyl)-4-perhydrocumylcyclohexane and 1,1-bis(4-hydroxy-3,5-dimethylphenyl)-4-perhydrocumylcyclohexane were synthesized starting from p-cumyl phenol. Each of these bisphenols was polycondensed with both terephthaloyl chloride and isophthaloyl chloride by phase transfer-catalyzed interfacial polymerization to obtain a series of new aromatic polyesters. Inherent viscosities and number average molecular weights of polyesters were in the range 0.51-0.64 dL/g and 17390-41430 g/mol, respectively which indicated the formation of reasonably high molecular weight polymers. The detailed NMR studies revealed that axial and equatorial identity of the phenyl rings of bisphenols was retained in polyesters resulting in constitutional isomerism. Polyesters containing perhydrocumyl cyclohexylidene groups showed excellent solubility in organic solvents viz, chloroform, dichloromethane, 1,1,2,2-tetrachloroethane and tetrahydrofuran. The self-standing films of polyesters could be cast from their chloroform solution. The 10\% weight loss temperatures and glass transition temperatures of polyesters were in the range 453{\textendash}485 {\textdegree}C and 201{\textendash}267 {\textdegree}C, respectively demonstrating their excellent thermal characteristics. The gas permeability study of polyesters was carried out for He, H2 and N2 by variable-volume method. An improvement in permeability and decrease in selectivity was observed due to symmetric methyl substituents while reverse trend was observed in case of polyesters with asymmetric methyl substituents.

}, doi = {10.1080/10601325.2018.1549950}, author = {Shingte, R. D. and Chatterjee, D. and Tawade, B. V. and Shrimant, B. and Wadgaonkar, P.P.} } @article {46072, title = {Aromatic polyesters containing pendant azido groups: synthesis, characterization, chemical modification and thermal cross-linking}, journal = {European Polymer Journal}, volume = {116}, year = {2019}, month = {JUL}, pages = {180-189}, type = {Article}, abstract = {

A partially bio-based bisphenol containing pendant azido group viz., 4,4{\textquoteright}-(5-azidopentane-2,2-diyl) diphenol (AZBPA) was synthesized starting from 4,4{\textquoteright}-bis (4-hydroxyphenyl) pentanoic acid. AZBPA was reacted with isophthaloyl chloride (IPC), terephthaloyl chloride (TPC) and a mixture of IPC/TPC (50:50 mol\%) by phase transfer-catalyzed interfacial polycondensation route to obtain aromatic polyesters containing pendant azido groups. Copolyesters containing pendant azido groups were also synthesized by polycondensation of different molar proportions of AZBPA and commercially available 4,4{\textquoteright}-(1-phenylethane-1,1-diyl) diphenol (BPA-AP) with IPC. Inherent viscosities and number average molecular weights of (co)polyesters were in the range 0.85-1.64 dL/g and 58,900-190,400, respectively, indicating the formation of reasonably high molecular weight polymers. Tough, transparent, and flexible films could be cast from chloroform solutions of these polyesters. X-Ray diffraction analysis showed that (co)polyesters were amorphous in nature. (Co)polyesters were characterized using FT-IR, H-1 NMR spectroscopy, XRD, TGA and DSC analysis. The chemical modification of a representative copolyester containing pendant azido groups was carried out quantitatively using copper-catalyzed azide-alkyne cycloaddition (CuAAC) with two alkynes viz., phenyl acetylene (PA) and ethynyl-4-nitrobenzene (ENB). Additionally, (co)polyesters containing pendant azido groups were thermally cross-linked (170 degrees C/12 h) leading to the formation of network structures based on azide to nitrene decomposition and subsequent reactions on polyester backbone. The selected cross-linked polyesters were characterized by stress-strain measurements. The cross-linked polymers exhibited higher tensile strength and Young{\textquoteright}s modulus and lower \% elongation at break compared to corresponding pristine polyesters containing pendant azido groups.

}, keywords = {Aromatic polyester, Chemical modification, Click chemistry, Pendant azido group, Thermal cross-linking}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2019.04.019}, author = {Nagane, Samadhan S. and Verma, Savita and Tawade, V, Bhausaheb and Sane, Prakash S. and Dhanmane, Sushilkumar A. and Wadgaonkar, Prakash P.} } @article {46334, title = {Arresting an unusual amide tautomer using divalent cations}, journal = {Journal of Physical Chemistry B}, volume = {123}, year = {2019}, month = {OCT}, pages = {8419-8424}, type = {Article}, abstract = {

Ion-specific effects on peptides and proteins are key to biomolecular structure and stability. The subtle roles of the cations are far less understood, compared to the pronounced effects of the anions on proteins. Most importantly, divalent cations such as Ca2+ and Mg2+ are crucial to several biological functions. Herein, we demonstrate that an amide-iminolate equilibrium is triggered by the binding of the divalent cations to the amide oxygen in aqueous solution. The excellent agreement between the experimental and theoretical results confirms the arrest of an unusual amide tautomer by the divalent cations, which is a rarely known phenomenon that might open up an array of applications in chemistry and biology.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.9b08463}, author = {Kashid, Somnath M. and Singh, Reman K. and Kwon, Hyejin and Kim, Yung Sam and Mukherjee, Arnab and Bagchi, Sayan} } @article {46113, title = {Azadirachtin-A from azadirachta indica impacts multiple biological targets in cotton bollworm helicoverpa armigera}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {MAY}, pages = {9531-9541}, type = {Article}, abstract = {

Azadirachtin-A (AzaA) from the Indian neem tree (Azadirachta indica) has insecticidal properties; however, its molecular mechanism remains elusive. The {\textquoteleft}{\textquoteleft}targeted and nontargeted proteomic profiling{\textquoteright}{\textquoteright}, metabolomics, matrix-assisted laser desorption/ionization time of flight (MALDI-TOF) imaging, gene expression, and in silico analysis provided clues about its action on Helicoverpa armigera. Fourth instar H. armigera larvae fed on AzaA-based diet (AzaD) suffered from significant mortality, growth retardation, reduced larval mass, complications in molting, and prolonged development. Furthermore, death of AzaD-fed larvae was observed with various phenotypes like bursting, blackening, and half-molting. Liquid chromatography-mass spectrometry (LC-MS) data showed limited catabolic processing of ingested AzaA and dramatic alternations of primary metabolism in H. armigera. MALDI-TOF imaging indicated the presence of AzaA in midgut of H. armigera. In the gut, out of 79 proteins identified, 34 were upregulated, which were related to digestion, immunity, energy production, and apoptosis mechanism. On the other hand, 45 proteins were downregulated, including those from carbohydrate metabolism, lipid metabolism, and energy transfer. In the hemolymph, 21 upregulated proteins were reported to be involved in immunity, RNA processing, and mRNA-directed protein synthesis, while 7 downregulated proteins were implicated in energy transfer, hydrolysis, lipid metabolism, defense mechanisms, and amino acid storage-related functions. Subsequently, six target proteins were identified using labeled AzaA that interacted with whole insect proteins. In silico analysis suggests that AzaA could be efficiently accommodated in the hydrophobic pocket of juvenile hormone esterase and showed strong interaction with active site residues, indicating plausible targets of AzaA in H. armigera. Quantitative polymerase chain reaction analysis suggested differential gene expression patterns and partly corroborated the proteomic results. Overall, data suggest that AzaA generally targets more than one protein in H. armigera and hence could be a potent biopesticide.

}, issn = {2470-1343}, doi = {10.1021/acsomega.8b03479}, author = {Dawkar, Vishal V. and Barage, Sagar H. and Barbole, Ranjit S. and Fatangare, Amol and Grimalt, Susana and Haldar, Saikat and Heckel, David G. and Gupta, Vidya S. and Thulasiram, Hirekodathakallu V. and Svatos, Ales. and Giri, Ashok P.} } @article {47164, title = {Baicalein suppresses repeat tau fibrillization by sequestering oligomers}, journal = {Archives of Biochemistry and Biophysics}, volume = {675}, year = {2019}, month = {OCT}, pages = {108119}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease (AD) is a neurodegenerative disorder caused by protein misfolding, aggregation and accumulation in the brain. A large number of molecules are being screened against these pathogenic proteins but the focus for therapeutics is shifting towards the natural compounds as aggregation inhibitors, mainly due to their minimum adverse effects. Baicalein is a natural compound belonging to the class of flavonoids isolated from the Chinese herb Scutellaria baicalensis. Here we applied fluorescence, absorbance, microscopy, MALDI-TOF spectrophotometry and other biochemical techniques to investigate the interaction between Tau and Baicalein in vitro. We found the aggregation inhibitory properties of Baicalein for the repeat Tau. Overall, the potential of Baicalein in dissolving the preformed Tau oligomers as well as mature fibrils can be of utmost importance in therapeutics for Alzheimer{\textquoteright}s disease.

}, keywords = {Alzheimer disease, Baicalein, Microtubule assembly, Paired helical filaments, Protein aggregation, tau protein}, issn = {0003-9861}, doi = {10.1016/j.abb.2019.108119}, author = {Sonawane, Shweta Kishor and Balmik, Abhishek Ankur and Boral, Debjyoti and Ramasamy, Sureshkumar and Chinnathambi, Subashchandrabose} } @article {46136, title = {Bhaskar Dattatraya Kulkarni (1949-2019)}, journal = {Current Science}, volume = {116}, year = {2019}, month = {APR}, pages = {1261-1262}, type = {Biographical-Item}, issn = {0011-3891}, author = {Kumar, V. Ravi and Sivaram, S.} } @article {46228, title = {Bioactivities and molecular networking-based elucidation of metabolites of potent actinobacterial strains isolated from the Unkeshwar geothermal springs in India}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {MAR}, pages = {9850-9859}, type = {Article}, abstract = {

The bioactive potential of Actinobacteria endemic to hot springs has rarely been investigated. This study highlights the cultivable diversity and bioactivities of Actinobacteria associated with the Unkeshwar hot springs, India. Potent strains were evaluated for their biosynthetic potentials and metabolite analysis was performed using effective dereplication molecular networking tools. A total of 86 actinobacterial strains were isolated and grouped into 21 distinct genera, based on 16S rRNA gene sequence analysis. These strains included rare members such as Micromonospora, Marmoricola, Actinomadura, Cellulomonas, Cellulosimicrobium, Janibacter, Rothia, Barrentisimonas, Dietzia and Glycomyces. In antimicrobial screening, Micromonospora sp. strain GH99 and Streptomyces sp. strain GH176 were found to be potent antimicrobial strains. The metabolic extracts of these strains exhibited strong antimicrobial activity against Staphylococcus epidermidis (NCIM 2493), Shigella flexneri (NCIM 5265), Klebsiella pneumonia (NCIM 2098), and Salmonella abony (NCIM 2257). The extracts also displayed strong anti-biofilm and anticancer activities against Pseudomonas aeruginosa (NCIM 5029), Acinetobacter junii (NCIM 5188) and breast cancer cell line MCF7, respectively. Both strains also tested positive for the presence of the PKS biosynthetic gene cluster in their genomes. To effectively delineate the secondary metabolites, the extracts were subjected to MS/MS-guided molecular networking analysis. Structurally diverse compounds including the polyketides 22-dehydroxymethyl-kijanolide (GH99 strain) and Abyssomicin I (GH176 strain) were detected in the extracts. Interestingly, Brevianamide F was detected in the extract of Micromonospora, which has previously been mostly found in fungal species. Other compounds such as cyclic tripeptides, Cyclo(l-Pro-d-Ile) and Cyclo(d-Pro-l-Phe), were also identified in this strain. In summary, for the first time, we explored the diversity of Actinobacteria and evaluated their bioactive potential from the Unkeshwar hot springs. The potent strains isolated in the study could be useful in drug discovery programs.

}, doi = {10.1039/c8ra09449g}, author = {Mehetre, Gajanan T. and Vinodh, J. S. and Burkul, Bhushan B. and Desai, D. and Santhakumari, B. and Dharne, Mahesh S. and Dastager, Syed G} } @article {46047, title = {Biodegradation of squalene and n-hexadecane by Gordonia amicalis HS-11 with concomitant formation of biosurfactant and carotenoids}, journal = {International Biodeterioration \& Biodegradation}, volume = {142}, year = {2019}, month = {AUG}, pages = {172-181}, type = {Article}, abstract = {

Gordonia amicalis HS-11 has been enriched from a hydrocarbon contaminated tropical soil sample. The ability of this organism to utilize a triterpenic polyunsaturated hydrocarbon, squalene (2,6,10,15,19,23-hexamethyl-6,6,10,14,18,20-tetracosahexane) and the model saturated hydrocarbon n-hexadecane is described here. The isolate degraded squalene and n-hexadecane (79 +/- 3.02 and 96 +/- 4.11\%, respectively) after eight days of incubation. The isolate produced an extracellular biosurfactant that reduced surface tension from 69 +/- 2.83 to 40 +/- 1.63 and 35 +/- 2.34 mN m(-1) with squalene and n-hexadecane as carbon sources, respectively, after 6 days. The Actinomycete cleaved squalene to geranylacetone and famesyl acetaldehyde that were further utilized for supporting growth. n-Hexadecane was degraded via monoterminal oxidation and activities of important enzymes (alkane hydroxylase and alcohol dehydrogenase) were highest (215 +/- 8.76 and 169 +/- 6.02 units mg(-1) protein, respectively) after four days. Cells grown on squalene were short and with n-hexadecane there were clumps of longer cells. Squalene and n-hexadecane-grown cell surfaces were smooth possibly due to extracellular surface active compounds. While growing on hydrophobic substrates, some cells were seen adhering to droplets and others were in the free form. The culture was able to simultaneously degrade hydrocarbons and produce two commercially relevant value-added products. The yield of the extracellular biosurfactant on n-hexadecane was 480 mg l(-1) and cells grown on squalene and n-hexadecane also yielded carotenoids (2.3 +/- 0.14 and 2.9 +/- 0.10 mg g(-1) dry cell weight, respectively). This is the first report on the utilization of squalene by Gordonia.

}, keywords = {Aerobic biodegradation, Carotenoids, Catabolic pathways, Emulsifier, Gordonia amicalis HS-11}, issn = {0964-8305}, doi = {10.1016/j.ibiod.2019.05.005}, author = {Sowani, Harshada and Deshpande, Ashish and Gupta, Vidya and Kulkarni, Mohan and Zinjarde, Smita} } @article {46051, title = {Cadmium sulfide nanostructures: influence of morphology on the photocatalytic degradation of erioglaucine and hydrogen generation}, journal = {Applied Surface Science}, volume = {483}, year = {2019}, month = {JUL}, pages = {696-705}, type = {Article}, abstract = {

Size and shape of inorganic materials are known to have great effects on their physical and chemical properties. Here, for the first time we report the visible light driven photocatalytic degradation of erioglaucine - a stable organic dye molecule in the presence of chemically synthesized nanoscale CdS with 1D (nanorods), 2D (nanosheets) and 3D (hierarchical) morphology. Visible light driven photocatalytic degradation efficiency of both 1D and 3D CdS in the removal of erioglaucine are identical. Surprisingly, with 5 min of sonication, the highly crystalline 3D CdS stacked with many thin nanowires containing numerous active surface sites exhibited fourfold enhanced photodegradation efficiency in comparison to 1D and 2D CdS. Scavenger studies revealed that electrons and superoxide radicals are primary reactive species involved in the photodegradation of erioglaucine, while cyclic photodegradation studies revealed the good stability of 3D CdS against photocorrosion. Further, the photocatalytic hydrogen evolution studies also revealed the excellent activity of 3D CdS in comparison to 1D and 2D CdS. Thus, we find that the morphology indeed influences the photocatalytic activity. These results reveal that 3D CdS nanostructures investigated in the present work are efficient photocatalysts that could be fine-tuned for both environmental remediation and hydrogen generation applications.

}, keywords = {Cadmium sulfide, Erioglaucine, Hydrogen evolution, Nanostructures, Photocatalysis}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2019.04.018}, author = {Shenoy, Sulakshana and Jang, Eunyong and Park, Tae Joo and Gopinath, Chinnakonda S. and Sridharan, Kishore} } @article {46294, title = {Carbon derived from soft pyrolysis of a covalent organic framework as a support for small-sized RuO2 showing exceptionally low overpotential for oxygen evolution reaction}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {AUG}, pages = {13465-13473}, type = {Article}, abstract = {

Electrochemical water splitting is the most energy-efficient technique for producing hydrogen and oxygen, the two valuable gases. However, it is limited by the slow kinetics of the anodic oxygen evolution reaction (OER), which can be improved using catalysts. Covalent organic framework (COF)-derived porous carbon can serve as an excellent catalyst support. Here, we report high electrocatalytic activity of two composites, formed by supporting RuO2 on carbon derived from two COFs with closely related structures. These composites catalyze oxygen evolution from alkaline media with overpotentials as low as 210 and 217 mV at 10 mA/cm(2), respectively. The Tafel slopes of these catalysts (65 and 67 mV/dec) indicate fast kinetics compared to commercial RuO2. The observed activity is the highest among all RuO2-based heterogeneous OER catalysts-a touted benchmark OER catalyst. The high catalytic activity arises from the extremely small-sized (similar to 3-4 nm) RuO2 nanoparticles homogeneously dispersed in a micro-mesoporous (BET = 517 m(2)/g) COF-derived carbon. The porous graphenic carbon favors mass transfer, while its N-rich framework anchors the catalytic nanoparticles, making it highly stable and recyclable. Crucially, the soft pyrolysis of the COF enables the formation of porous carbon and simultaneous growth of small RuO2 particles without aggregation.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b01777}, author = {Chakraborty, Debanjan and Nandi, Shyamapada and Illathvalappil, Rajith and Mullangi, Dinesh and Maity, Rahul and Singh, Santosh K. and Haldar, Sattwick and Vinod, Chathakudath P. and Kurungot, Sreekumar and Vaidhyanathan, Ramanathan} } @article {47490, title = {Catalytic hydrogenation products of aromatic and aliphatic dicarboxylic acids}, journal = {Asian Journal of Chemistry}, volume = {31}, year = {2019}, month = {APR}, pages = {1137-1142}, type = {Article}, abstract = {Hydrogenation of aromatic dicarboxylic acids gave 100 \% selectivity to respective cyclohexane dicarboxylic acid with 5 \% Pd/C catalyst. 5 \% Ru/C catalyst was observed to give over hydrogenation products at 493 K and at lower temperature (453 K) the selectivity for cyclohexane dicarboxylic acids was increased. Hydrogenation of phthalic acid with Ru-Sn/Al2O3 catalyst was observed to give phthalide instead of 1,2-benzene dimethanol or 2-hydroxy methyl benzoic acid. Ru-Sn/Al2O3 catalyst selectively hydrogenated the carboxylic group of cyclohexane dicarboxylic acids to give cyclohexane dimethanol. Use of proper catalysts and reaction conditions resulted in desired products.}, doi = {10.14233/ajchem.2019.21921}, author = {Shinde, Sunil and Deshpande, Raj M.} } @article {45568, title = {Characterization of novel acidic and thermostable phytase secreting Streptomyces sp. (NCIM 5533) for plant growth promoting characteristics}, journal = {Biocatalysis and Agricultural Biotechnology}, volume = {18}, year = {2019}, month = {MAR}, pages = {Article No: 101020}, type = {Article}, abstract = {Successful agricultural practices in acidic and arid region soils are still challenging worldwide. We investigated Actinomycete strain obtained from soil, which was found to produce extracellular phytase having the optimum pH, temperature of 2.5 and 70 {\textdegree}C, respectively and Plant growth promoting (PGP) attributes. These abilities of the phytase make it novel as compared to other Streptomyces derived phytases. Strain was also evaluated for physiological traits such as salinity, temperature, and pH followed by morphological and molecular identification. The Streptomyces sp. strain (NCIM 5533) displayed additional PGP traits such as indole-3-acetic acid (IAA), ammonia and phosphate solubilization activity. A significant increment in Tomato plant (Solanum lycopersicum) root, shoot and as well as total height in bioassays at laboratory scale and green house level and its ability to colonize roots substantiated its potency as a true plant growth promoting rhizobacteria (PGPR). To our knowledge this is the first report of Streptomyces sp. having the ability to produce acidic and thermostable phytase as well as PGP traits showing enhanced plant growth could have implications in soils having acidic nature and also in arid region.}, doi = {10.1016/j.bcab.2019.101020}, author = {Puppala, K. R. and Bhavsar, K. and Sonalkar, V. and Khire, J. M. and Dharne, M. S.} } @article {46084, title = {Characterizing microvoids in regenerated cellulose fibers obtained from viscose and lyocell processes}, journal = {Macromolecules}, volume = {52}, year = {2019}, month = {JUN}, pages = {3987-3994}, type = {Article}, abstract = {

Regenerated cellulose fibers are among the most widely used bio-derived materials. Currently, there is great interest in transitioning from the traditional viscose process to the more environmentally friendly lyocell process for fiber production. Differences between the characteristics of viscose and lyocell fibers can be attributed to microstructural differences that arise due to differences in the processing techniques. Here, we use small-angle scattering to characterize the microvoids in regenerated cellulose fibers that might govern the onset of mechanical failure in these. In regenerated cellulose fibers, scattering of X-rays or neutrons at small angles is largely dominated by scattering from microvoids. We demonstrate that small angle X-ray scattering (SAXS) over the q range that is typical for most commercial instruments arises from Porod scattering from the microvoid surfaces, viz., the scattered intensity scales as q(-4). Therefore, it is not possible to extrapolate this data to lower q to obtain microvoid dimensions and volume fraction. We combine SAXS with medium-resolution small-angle neutron scattering to characterize the microvoids in regenerated cellulose fibers. Specifically, we compare fibers produced using the viscose process with those from the lyocell process. For both viscose and lyocell fibers, microvoids have a high aspect ratio and are elongated in the fiber direction. Also, the volume fraction occupied by the microvoids is comparable for viscose and lyocell fibers (0.04-0.05\%). However, there are differences in the microvoid size: Microvoids are more highly oriented in lyocell fibers and have a larger average length and diameter compared with viscose fibers. This result might have important implications for understanding failure of these fibers.

}, issn = {0024-9297}, doi = {10.1021/acs.macromol.9b00487}, author = {Sharma, Aakash and Sen, Debasis and Thakre, Shirish and Kumaraswamy, Guruswamy} } @article {45514, title = {Clathrin-mediated endocytosis regulates a balance between opposing signals to maintain the pluripotent state of embryonic stem cells}, journal = {Stem Cell Reports}, volume = {12}, year = {2019}, month = {JAN }, pages = {152-164}, type = {Article}, abstract = {

Endocytosis is implicated in the maintenance of embryonic stem cell (ESC) pluripotency, although its exact role and the identity of molecular players remain poorly understood. Here, we show that the clathrin heavy chain (CLTC), involved in clathrin-mediated endocytosis (CME), is vital for maintaining mouse ESC (mESC) pluripotency. Knockdown of Cltc resulted in a loss of pluripotency accompanied by reduced E-cadherin (E-CAD) levels and increased levels of transforming growth factor beta (TGF-beta) and extracellular signal-regulated kinase (ERK) signaling. We demonstrate that both E-CAD and TGF-beta receptor type 1 (TGF-beta R1) are internalized through CME in mESCs. While E-CAD is recycled, TGF-beta R1 is targeted for lysosomal degradation thus maintaining inverse levels of these molecules. Finally, we show that E-CAD interacts with ERK, and that the decreased pluripotency upon CME loss can be rescued by inhibiting TGF-beta R, MEK, and GSK3 beta, or overexpressing E-CAD. Our results demonstrate that CME is critical for balancing signaling outputs to regulate ESC pluripotency, and possibly cell fate choices in early development.

}, issn = {2213-6711}, doi = {10.1016/j.stemcr.2018.11.018}, author = {Narayana, V, Yadavalli and Gadgil, Chetan and Mote, Ridim D. and Rajan, Raghav and Subramanyam, Deepa} } @article {46154, title = {Click chemistry based multicomponent approach in the synthesis of spirochromenocarbazole tethered 1,2,3-triazoles as potential anticancer agents}, journal = {Bioorganic Chemistry}, volume = {85}, year = {2019}, month = {APR}, pages = {475-486}, type = {Article}, abstract = {

A series of spirochromenocarbazole tethered 1,2,3-triazoles were synthesized via click chemistry based one-pot, five component reaction between N-propargyl isatins, malononitrile, 4-hydroxycarbazole, aralkyl halides and sodium azide using cellulose supported CuI nanoparticles (Cell-CuI NPs) as the heterogeneous catalyst. Antiproliferative activity of all the synthesized compounds was investigated against panel of cancer cell lines such as MCF-7, MDA-MB-231, HeLa, PANG-1, A-549, and THP-1. Many of the synthesized compounds exhibited good anti-proliferative activity against breast (MCF-7 and MDA-MB-231) and cervical (HeLa) cancer cells with IC50 values less than 10 mu M. In case of MCF-7 cells, among the nine compounds that showed good anti-proliferative activity, compounds 6f and 6j were found to be highly potent (IC50 , = 2.13 mu M and 4.80 mu M, respectively). In case of MDA-MB-231, three compounds (6k, 6j and 6s) showed antiproliferative activity amongst which 6k was the most potent one (IC50 = 3.78 mu M). On the other hand, in cervical cancer HeLa cells, compounds 6b, 6g, 6s and 6u showed excellent antiproliferative activity (IC50 = 4.05, 3.54, 3.83, 3.35 mu M, respectively). All the compounds were found to be nontoxic to the human umbilical vein endothelial cells (HUVECs). AO and EtBr staining and fluorescence microscopy studies of the active compounds (IC50 \< 5 mu M) suggested that these compounds induce cell death by apoptosis.

}, keywords = {1, 2, 3-Triazolylspirochromenocarbazole, Anticancer, Apoptotic assay, Click chemistry, Cytotoxicity, heterogeneous catalysis, Multicomponent synthesis}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2019.01.070}, author = {Chavan, V, Pramod and Desai, V, Uday and Wadgaonkar, Prakash P. and Tapase, Savita R. and Kodam, Kisan M. and Choudhari, Amit and Sarkar, Dhiman} } @article {46114, title = {Clopidogrel eluting electrospun polyurethane/polyethylene glycol thromboresistant, hemocompatible nanofibrous scaffolds}, journal = {Journal of Biomaterials Applications}, volume = {33}, year = {2019}, month = {MAY}, pages = {1327-1347}, type = {Article}, abstract = {

Biomaterials used as blood-contacting material must be hemocompatible and exhibit lower thrombotic potential while maintaining hemostasis and angiogenesis. With the aim of developing thromboresistant, hemocompatible nanofibrous scaffolds, polyurethane/polyethylene glycol scaffolds incorporated with 1, 5, and 10 wt\% Clopidogrel were fabricated and evaluated for their physiochemical properties, biocompatibility, hemocompatibility, and antithrombotic potential. The results of physicochemical characterization revealed the fabrication of nanometer-sized scaffolds with smooth surfaces. The incorporation of both polyethylene glycol and Clopidogrel to polyurethane enhanced the hydrophilicity and water uptake potential of polyurethane/polyethylene glycol/Clopidogrel scaffolds. The dynamic mechanical analysis revealed the enhancement in mechanical strength of the polyurethane/polyethylene glycol scaffolds on incorporation of Clopidogrel. The polyurethane/polyethylene glycol/Clopidogrel scaffolds showed a tri-phasic drug release pattern. The results of hemocompatibility assessment demonstrated the excellent blood compatibility of the polyurethane/polyethylene glycol/Clopidogrel scaffolds, with the developed scaffolds exhibiting lower hemolysis, increased albumin and plasma protein adsorption while reduction in fibrinogen adsorption. Further, the platelet adhesion was highly suppressed and significant increase in coagulation period was observed for Clopidogrel incorporated scaffolds. The results of cell adhesion and cell viability substantiate the biocompatibility of the developed nanofibrous scaffolds with the HUVEC cell viability on polyurethane/polyethylene glycol, polyurethane/polyethylene glycol/Clopidogrel-1, 5, and 10\% at day 7 found to be 12.35, 13.36, 14.85, and 4.18\% higher as compared to polyurethane scaffolds, and the NIH/3T3 cell viability found to be 35.27, 70.82, 36.60, and 7.95\% higher as compared to polyurethane scaffolds, respectively. Altogether the results of the study advocate the incorporation of Clopidogrel to the polyurethane/polyethylene glycol blend in order to fabricate scaffolds with appropriate antithrombotic property, hemocompatibility, and cell proliferation capacity and thus, might be successfully used as antithrombotic material for biomedical application.

}, keywords = {adhesion, cardiovascular, coagulation, electrospinning, Hemocompatible, platelet}, issn = {0885-3282}, doi = {10.1177/0885328219832984}, author = {Shitole, Ajinkya A. and Giram, Prabhanjan S. and Raut, Piyush W. and Rade, Priyanka P. and Khandwekar, Anand P. and Sharma, Neeti and Garnaik, Baijayantimala} } @article {46268, title = {Co amorphous valsartan nifedipine system: Preparation, characterization, in vitro and in vivo evaluation}, journal = {European Journal of Pharmaceutical Sciences}, volume = {139}, year = {2019}, month = {NOV}, type = {Article}, abstract = {

Co amorphous systems are supersaturated drug delivery systems which offer a basic platform for delivery of multicomponent adducts (combination of more than one active pharmaceutical ingredient (API)) and/or as a fixed dose combination therapy, in addition to their potential to improve the apparent solubility, dissolution rate and ultimately bioavailability of poorly water soluble APIs. In the present work, a new drug-drug co amorphous system namely valsartan-nifedipine was prepared by quench cooling technique. Prepared co amorphous system was characterized for its solid state behavior with the help of Fourier Transform Infrared spectroscopy (FTIR), Differential Scanning Calorimetry (DSC) and Powder X Ray Diffractometry (PXRD). The optimized co amorphous system was stable for 1 month when exposed to accelerated stability condition (40 +/- 2 degrees C and 75 +/- 5\% RH). The improved stability of amorphous nifedipine in co amorphous system was attributed to improved miscibility and intra and intermolecular non-covalent interactions mainly due to presence of hydrogen bonding between valsartan and nifedipine which was studied by FTIR analysis. Co amorphous systems were evaluated by mainly in vitro dissolution and in vivo benefit. In vitro dissolution study showed nearly 5.66 folds and 1.61 folds improvement which was translated to 3.63 and 2.19 times enhancement in vivo C-max for nifedipine and valsartan respectively.

}, doi = {10.1016/j.ejps.2019.105048}, author = {Lodagekar, Anurag and Chavan, Rahul B. and Mannava, M. K. Chaitanya and Yadav, Balvant and Chella, Naveen and Nangia, Ashwini K. and Shastri, Nalini R.} } @article {46345, title = {Cocrystallization of 2,3-dihydroxynaphthalene with its para-, meta-, and ortho-ditoluates: insight into cocrystal formation and clues for the construction of supramolecular assemblies capable of intermolecular acyl group transfer reactivity (vol 15, pg 12}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {OCT}, pages = {5998}, type = {Correction}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b01022}, author = {Tamboli, Majid I. and Bahadur, Vir and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article {45530, title = {Cocrystals, salts, and supramolecular gels of nonsteroidal anti inflammatory drug niflumic acid}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {JAN}, pages = {219-230}, type = {Article}, abstract = {

Niflumic acid (NFA) is a nonsteroidal anti-inflammatory drug (NSAID) classified under the BCS (Biopharmaceutical Classification System) Class II category of poor aqueous solubility and high permeability. In an attempt to improve the physicochemical properties of NFA, particularly solubility and dissolution rate by cocrystallization and salt formation, cocrystals of NFA were prepared with caprolactam (CPR, 1:1) and 2-hydroxy pyridine (2HP, 1:1) as well as salts with piperazine (PIP, 1:0.5), benzenesulfonic acid (BSA, 1:1), benzyl amine (BZA, 1:1 and 2:2), and tyramine (TYA, 1:1). The new solid forms were characterized by powder X-ray diffraction, infrared spectroscopy, and differential scanning calorimetry and confirmed by single crystal X-ray diffraction. In the cocrystals NFA CPR and NFA-2HP, the cyclic amide of the coformer forms a dimer synthon through N-H center dot center dot center dot O hydrogen bonds and such dimers extend through O-H center dot center dot center dot O hydrogen bonds. In piperazine, benzyl amine, and tyramine salts, proton transfer occurs from the NFA to the basic nitrogen of the coformer, and in NFA BSA salt, the proton is transferred from benzenesulfonic acid to the pyridine nitrogen of NFA. In addition to the above salts and cocrystals, supramolecular gels of NFA-PIP and NFA-BZA salts are reported, which were obtained from nitrobenzene, methyl salicylate, menthol, and mesitylene solvents. These gels were studied by rheology. Solubility and dissolution rate of the novel solid forms (NFA CPR, NFA PIP, NFA BSA, and NFA TYA) in 20\% EtOH water showed the best behavior for NFA-TYA salt with improvement of 42-and 54-times in solubility and dissolution rate compared to the reference drug. The remaining solids such as NFA-PIP, NFA-BSA salts, and NFA-CPR cocrystal exhibited improvement of 39-, 18-, 1.4-times in solubility and 7.8-, 10-, 2-times for dissolution rate.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.8b01298}, author = {Mittapalli, Sudhir and Mannava, M. K. Chaitanya and Sahoo, Rasmita and Nangia, Ashwini} } @article {46105, title = {Cold thermal response of an amyloid oligomer differs from typical globular protein cold denaturation}, journal = {Journal of Physical Chemistry Letters}, volume = {10}, year = {2019}, month = {MAY }, pages = {2453-2457}, type = {Article}, abstract = {

In contrast with the general behavior of folded proteins, the cold thermal response of amyloid assemblies is difficult to elicit with simple models. We exploit exhaustive simulations to evaluate the thermal response of a barrel-shaped model amyloid oligomer, with a distinct hydrophobic core akin to that of folded proteins. Cumulative thermal data over the range of 210-483 K indicate a sharp inflection and rise in structural stability as the temperature is decreased below the melting temperature of the water model. This is not commensurate with the equilibrium free energy profile obtained with core packing as the order parameter. However, energetic analyses and the size of their fluctuations indicate the crucial role of hydration in mediating structural transitions, beyond the expected temperature-dependent hydrophobic effect. Structural ordering of the hydration layer over bulk water is maximized at the transition and vanishes at high temperatures. This is a first direct demonstration of the microscopic influence of hydration water on the low-temperature response of an amyloid assembly close to the cryo-regime.

}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.9b00709}, author = {Menon, Sneha and Sengupta, Neelanjana} } @article {47173, title = {Comparative study of a class of mean field theories of the glass transition}, journal = {Journal of Statistical Mechanics-Theory and Experiment}, volume = {2019}, year = {2019}, month = {AUG}, pages = {084008}, type = {Article}, abstract = {

In a recently developed microscopic mean field theory, we have shown that the dynamics of a system, when described only in terms of its pair structure, can predict the correct dynamical transition temperature. Further, the theory predicted the difference in dynamics of two systems (the Lennard-Jones and the Weeks-Chandler-Andersen) despite them having quite similar structures. This is in contrast to the Schweizer-Saltzman (SS) formalism which predicted the dynamics of these two systems to be similar. The two theories although similar in spirit have certain differences. Here we present a comparative study of these two formalism to find the origin of the difference in their predictive power. We show that not only the dynamics in the potential energy surface, as described by our earlier study, but also that in the free energy surface, like in the SS theory, can predict the correct dynamical transition temperature. Even an approximate one component version of our theory, similar to the system used in the SS theory, can predict the transition temperature reasonably well. Interestingly, we show here that despite the above mentioned shortcomings the SS theory can actually predict the correct transition temperatures. Thus microscopic mean field theories of this class which express dynamics in terms of the pair structure of the liquid while being unable to predict the actual dynamics of the system are successful in predicting the correct dynamical transition temperature.

}, keywords = {aging, etc), glasses (colloidal, glassy dynamics, mode coupling theory, Polymer, slow relaxation}, issn = {1742-5468}, doi = {10.1088/1742-5468/ab3115}, author = {Saha, Indranil and Nandi, Manoj Kumar and Dasgupta, Chandan and Bhattacharyya, Sarika Maitra} } @article {46353, title = {Concise formal synthesis of (-)-(6R,11R,14R)-colletallol via D-proline catalysed alpha-aminooxylation-Wittig olefination strategy}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {58}, year = {2019}, month = {SEP}, pages = {1029-1036}, type = {Article}, abstract = {

An efficient enantioselective formal synthesis of marine macrolide (-)-(6R,11R,14R)-colletallol has been achieved starting from commercially available raw materials. The key reactions include the D-proline catalyzed a-aminooxylation of aldehyde followed by Horner-Wardsworth-Emmons olefination in a sequential fashion to give the macrolide key intermediate 5 in high enantiomeric purity (97\% ee) and high overall yield (32\%).

}, keywords = {alpha-aminoxylation, Asymmetric synthesis, Enantioselectivity, Natural products, organocatalysis}, issn = {0376-4699}, author = {Dey, Soumen and Gadakh, Sunita and Sudalai, Arumugam} } @article {46088, title = {Conducting nanofibres of solvatofluorochromic cyclohexanetrione-dithiolylidene-based C-3 symmetric molecule (vol 54, pg 212, 2018)}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {JUN }, pages = {6461}, type = {Correction}, abstract = {

Correction for {\textquoteleft}Conducting nanofibres of solvatofluorochromic cyclohexanetrione-dithiolylidene-based C-3 symmetric molecule{\textquoteright} by Kilingaru I. Shivakumar et al., Chem. Commun., 2018, 54, 212-215.

}, issn = {1359-7345}, doi = {10.1039/c9cc90229e}, author = {Shivakumar, Kilingaru I. and Goudappagouda and Gonnade, Rajesh G. and Babu, Sukumaran Santhosh and Sanjayan, Gangadhar J.} } @article {46321, title = {Continuous flow solvent free organic synthesis involving solids (reactants/products) using a screw reactor}, journal = {Green Chemistry}, volume = {21}, year = {2019}, month = {OCT }, pages = {5639-5646}, type = {Article}, abstract = {

Here we report for the first-time various organic transformations such as aldol condensation, oxidation, nucleophilic substitutions, protection, acylations and coupling reactions using a mechanochemical approach at a controlled temperature using a single synthesis platform. Almost minimal solvents or solvent-free conditions are used, making it a very efficient and clean synthesis of various products. A jacketed screw reactor when operated at different temperatures (0 degrees C to 160 degrees C) and over a range of rotation speeds for changing the residence time (15 s-300 s) helped to achieve maximum conversion. This approach is also extended to the synthesis using substrates having different substitutions, heterocycles and steric hindrance.

}, issn = {1463-9262}, doi = {10.1039/c9gc02447f}, author = {Sharma, Brijesh M. and Atapalkar, Ranjit S. and Kulkarni, Amol A.} } @article {46445, title = {Core-composite mediated separation of diverse nanoparticles to purity}, journal = {Soft Matter}, volume = {15}, year = {2019}, month = {OCT}, pages = {7787-7794}, type = {Article}, abstract = {

A generalized method for sorting nanoparticles based on their cores does not exist; it is an immediate necessity, and an approach incorporating cost-effectiveness and biocompatibility is in demand. Therefore, an efficient method for the separation of various mixed core-compositions or dissimilar metallic nanoparticles to their pure forms at the nano-bio interface was developed. Various simple core-combinations of monodispersed nanoparticles with dual cores, including silver plus gold, iron oxide plus gold and platinum plus gold, to the complex three-set core-combinations of platinum plus gold plus silver and platinum plus iron plus gold were sorted using step-gradient centrifugation in a sucrose suspension. Viscosity mediated differential terminal velocities of the nanoparticles permitted diversified dragging at different gradients allowing separation. Stability, purity and properties of the nanoparticles during separation were evaluated based on visual confirmation and by employing advanced instrumentations. Moreover, theoretical studies validated our experimental observations, revealing the roles of various parameters, such as the viscosity of sucrose, the density of the particles and the velocity and duration of centrifugation, involved during the separation process. This remarkably rapid, cost-efficient and sustainable strategy can be adapted to separate other cores of nanoparticles for various biomedical research purposes, primarily to understand nanoparticle induced toxicity and particle fate and transformations in natural biotic environments.

}, issn = {1744-683X}, doi = {10.1039/c9sm01571j}, author = {Bhatt, Chandra S. and Nagaraj, Bharathkumar and Ghosh, Deepanjan and Ramasamy, Sureshkumar and Thapa, Ranjit and Marpu, Sreekar B. and Suresh, Anil K.} } @article {46413, title = {Covalent self-assembly in two dimensions: connecting covalent organic framework nanospheres into crystalline and porous thin films}, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {DEC }, pages = {20379}, type = {Article}, chapter = {20371}, abstract = {

Insolubility of covalent organic frameworks (COFs) in organic solvents is one of the major obstacles for the potential application of these extended networks such as drug delivery, sensing, optoelectronics, and semiconductor device fabrication. The present work proposes a unique way to make uniform, solution-processable, crystalline, and porous COF nanospheres directly from the homogeneous solution of amine and aldehyde via spatial and temporal control of the nucleation and growth. This strategy of direct nucleation simultaneously showcases the caliber to tune the size of the COF nanospheres from 25 to 570 nm. We have also demonstrated the concept of mesoscale covalent self-assembly of those solution-processable COF nanospheres in the liquid-liquid interface (DCM-water bilayer) for the very first time, transmuting them into self-standing COF thin films with long-range ordered arrangements in two dimensions. The crystalline and porous (with TpAzo showing highest S-BET of 1932 m(2) g(-1)) free-standing COF thin films could be fabricated in a wide range of thicknesses from as low as 21 nm to as high as 630 nm. Both beta-ketoenamine (TpAzo, TpDPP) and imine (TpOMeAzo, TpOMeDPP) linked COF thin films have been synthesized via mesoscale covalent self-assembly of the solution-processable COF nanospheres illustrating the generality of this eloquent methodology. Further, the solution processability has been tested and utilized to cast COF thin films uniformly in the inner and outer surface of an alumina hollow fiber membrane. The COF thin film-alumina hollow fiber membrane composites have showcased promising selective molecular separation of He and O-2, He and CO2, and He and N-2.

}, issn = {0002-7863}, doi = {10.1021/jacs.9b10788}, author = {Sasmal, Himadri Sekhar and Halder, Arjun and Kunjattu, Shebeeb and Dey, Kaushik and Nadol, Athulya and Ajithkumar, Thalasseril G. and Bedadur, Prachiti Ravindra and Banerjee, Rahul} } @article {44441, title = {cRGD functionalized nanocarriers for targeted delivery of bioactives}, journal = {Journal of Drug Targeting}, volume = {27}, year = {2019}, month = {FEB}, pages = {111-124}, type = {Article}, abstract = {

The integrins αvβ3 play a very imperative role in angiogenesis and are overexpressed in endothelial cells of the tumor. Recent years have witnessed huge exploration in the field of αvβ3 integrin-mediated bioactive targeting for treatment of cancer. In these studies, the cRGD peptide has been employed extensively owing to their binding capacity to the αvβ3 integrin. Principally, RGD-based approaches comprise of antagonist molecules of the RGD sequence, drug-RGD conjugates, and most importantly tethering of the nanocarrier surface with the RGD peptide as targeting ligand. Targeting tumor vasculature or cells via cRGD conjugated nanocarriers have emerged as a promising technique for delivering chemotherapeutic drugs and imaging agents for cancer theranostics. In this review, primary emphasis has been given on the application of cRGD-anchored nanocarriers for targeted delivery of drugs, imaging agents, etc. for tumor therapy.

}, keywords = {alpha(v)beta(3) integrin receptors, cancer, cRGD, nanocarriers, targeting}, issn = {1061-186X}, doi = {10.1080/1061186X.2018.1473409}, author = {Gajbhiye, Kavita Rai and Gajbhiye, Virendra and Siddiqui, Imtiaz A. and Gajbhiye, Jayant M.} } @article {46245, title = {Critical role of processing on the mechanical properties of cross-linked highly loaded nanocomposites }, journal = {Macromolecules}, volume = {52}, year = {2019}, pages = {5955-5962}, type = {Article}, abstract = {

Polymer nanocomposites are frequently not at equilibrium-therefore, the structure and properties critically depend on the protocol followed in their preparation. Here, we demonstrate that the elastic-brittle transition in highly loaded ice-templated polymer nanocomposites is sensitively determined by the conformation of polymer chains during nanocomposite preparation. Macroporous polymer nanocomposites are synthesized using two preparation pathways, both exhibiting minor modifications of the ice-templating method wherein an aqueous dispersion of nanoparticles, polymers, and cross-linkers is frozen. In one method, the matrix polymer is cross-linked in the presence of ice, whereas in the other method, the ice is removed by freeze-drying before the polymer is cross-linked. Although all measurable structural metrics are practically identical for the two composites, they exhibit qualitatively different mechanical properties. Nanocomposites cross-linked in the presence of ice show exceptional resilience, recovering elastically from large compression for very high nanoparticle loadings-in some instances, above 90\% by weight. Here, the critical particle loading for the elastic- brittle transition is dependent on the molecular weight of the polymer. In comparison, samples cross-linked after freeze-drying appear structurally identical but turn brittle at much lower particle loadings (about 60\% by weight), independent of the matrix polymer molecular weight. We rationalize these differences in terms of the conformational state of the polymer during cross- linking. In the former case, polymer chains are in good solvent during nanocomposite preparation, while after lyophilization, they are in a poor solvent. The large spatial extent of well-solvated chains and chain-chain overlap during cross-linking results in the formation of intermolecular cross-links, and we obtain elastic nanocomposites even at high nanoparticle loadings. In contrast, for chains in collapsed conformations in a bad solvent, chain connectivity during cross-linking is achieved only for much lower particle loadings. Our results reiterate that the sensitivity of polymer conformations to different processing methods can result in large differences in properties, even though their consequences on structural characteristics are effectively indistinguishable.

}, doi = {10.1021/acs.macromol.9b00813}, author = {Suresh, Karthika and Chowdhury, Arindam and Kumar, Sanat K. and Kumaraswamy, Guruswamy} } @article {46344, title = {Crystal engineering for intramolecular pi-pi stacking: effect of sequential substitution of f on molecular geometry in conformationally flexible sulfonamides}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {OCT}, pages = {5665-5678}, type = {Article}, abstract = {

A small library of ten sulfonamide derivatives comprising two aromatic rings was synthesized to investigate the effect of chronological positioning of the F-atom on the intramolecular pi-stacking assembly. The sequential positioning of F atoms was carried out on one of the aromatic rings that is linked to the sulfonamide moiety directly while the other aromatic ring (phenyl or pyridine) is linked by an ethyl spacer with the sulfonamide moiety. The ethyl spacer is provided to achieve the required flexibility so that both aromatic rings can bend to acquire syn conformation facilitated pi-stacking between electron-deficient and electron-rich aromatic rings. The idea was to study the interplay between hydrogen bonding and pi-stacking synthons in the conformationally flexible sulfonamide derivatives. The solid-state conformation of all the derivatives was investigated using the single-crystal X-ray diffraction technique. Crystal structure analysis revealed that the syn conformation was achieved only in trifluoro and pentafluoro sulfonamide derivatives with benzene substitution while in all other derivatives the molecules take either midway or anti conformations. None of the sulfonamide molecules with a pyridine moiety showed syn conformation. It could be because of the involvement of the pyridine N-atom in the hydrogen bonding dimeric synthon. The molecular conformation study in solution state using 2D NOESY and HOESY NMR experiments also substantiated syn conformation in a pentafluoro sulfonamide molecule with benzene substitution. The conformational analysis carried out employing density functional theory (DFT) calculations confirmed higher stability for the syn conformation over midway and anti orientations.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b00667}, author = {Shaikh, Samir R. and Gawade, Rupesh L. and Kumar, Deepak and Kotmale, Amol and Gonnade, Rajesh G. and Stuerzer, Tobias} } @article {46351, title = {Cubic palladium nanorattles with solid octahedron gold core for catalysis and alkaline membrane fuel cell applications}, journal = {ChemCatChem}, volume = {11}, year = {2019}, month = {SEP }, pages = {4383-4392}, type = {Article}, abstract = {

Herein, we report the synthesis of palladium nanorattles (Au-Pd NRTs) comprising of a gold octahedral core caged within a thin porous cubic palladium shell. The introduction of core-shell and porous architecture was realized by combining seed mediated and galvanic replacement reaction techniques. Next, we examined the catalytic efficiency of the nanocatalyst in comparison with solid palladium nanocube (Pd-NC) of similar size for the degradation of p-nitrophenol and organic dyes. The rate constant of Au-Pd NRTs was found nearly 12 times higher than the Pd-NCs. Further, we exploited our catalyst for electrochemical oxygen reduction reaction (ORR) and observed its high intrinsic ORR activity. Compared with commercialized Pt/C, the Au-Pd NRT displayed nearly comparable onset and half-wave potential values and excellent durability upon potential cycling. The system level validation in a single-cell mode of alkaline exchange membrane fuel cell also confirms the efficiency of the present catalyst to serve as a potential cathode catalyst for realistic device applications.

}, keywords = {alkaline exchange membrane fuel cell, electrocatalysis, nanorattles, ORR, Pd nanoparticle}, issn = {1867-3880}, doi = {10.1002/cctc.201900741}, author = {Singh, Prem and Sonika and Gangadharan, Pranav K. and Khan, Ziyauddin and Kurungot, Sreekumar and Jaiswal, Amit} } @article {46428, title = {Cyanuric-chloride-mediated synthesis of 2-Aryl-3-tert-butoxycarbonyl-thiazolidine-4-carboxylic acid anilides: mechanistic, X-ray crystal structures and cytotoxicity studies}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {NOV }, pages = {12534-12546}, type = {Article}, abstract = {

The {\textquoteleft}2R,4R{\textquoteright}-2-aryl thiazolidine-4-carboxylic acid anilides (ATCAAs) were synthesized using cyanuric chloride (CC) as a clean and substoichiometric acid-amine coupling agent under optimized reaction conditions. The diesterphenol intermediate based mechanism is proposed and supported by spectral characterization of the intermediate. The single crystal X-ray structures of acid substrate (2R,4R)-3-(tert-butoxycarbonyl)-2-(2-methoxyphenyl)thiazolidine-4-carbox ylic acid (3 a) and anilides (R)-tert-butyl 4-(2-fluorophenylcarbamoyl)thiazolidine-3-carboxylate (4 b), (2R,4R)-tert-butyl 2-(2,6-dichlorophenyl)-4-(m-tolylcarbamoyl)thiazolidine-3-carboxylate (6 b) confirmed the formation of chiral anilides. The synthesized library of anilides [(R)-tert-butyl 4-Aryl thiazolidine-3-carboxylate and (2R,4R)-tert-butyl 2-Aryl-4-Aryl thiazolidine-3-carboxylate] 4 a-6 f was screened for their in vitro anti cancer, neuronal and neuroprotective studies. The anilides 4 b, 4 g, 5 d, 5 h, 6 c and 6 f (where the aryl=2-fluorophenylcarbamoyl, 4-chlorophenylcarbamoyl, 2-methoxyphenyl, 2,5-dichlorophenylcarbamoyl, 2,6-dichlorophenyl, 4-chlorophenylcarbamoyl respectively)were found to be less cytotoxic towards N2 A, SHSY-5Y neuronal cell lines in their differentiated and undifferentiated forms, and also exhibited dose dependant anti-inflammatory properties for a possible identification towards neurodegenerative and inflammatory disorders.

}, keywords = {Acid-amine coupling, Cyanuric chloride, Cytotoxicity, Mechanistic investigations, Single crystal x-ray structure}, issn = {2365-6549}, doi = {10.1002/slct.201903000}, author = {Jagtap, Rohidas M. and Shaikh, Samir R. and Gonnade, Rajesh G. and Raheem, Shabnam and Rizvi, Masood A. and Pardeshi, Satish K.} } @article {46280, title = {Cyclic tetrapeptides from nature and design: a review of synthetic methodologies, structure, and function}, journal = {Chemical Reviews}, volume = {119}, year = {2019}, month = {SEP}, pages = { 10318-10359}, type = {Article}, abstract = {

Small cyclic peptides possess a wide range of biological properties and unique structures that make them attractive to scientists working in a range of areas from medicinal to materials chemistry. However, cyclic tetrapeptides (CTPs), which are important members of this family, are notoriously difficult to synthesize. Various synthetic methodologies have been developed that enable access to natural product CTPs and their rationally designed synthetic analogues having novel molecular structures. These methodologies include the use of reversible protecting groups such as pseudoprolines that restrict conformational freedom, ring contraction strategies, on-resin cyclization approaches, and optimization of coupling reagents and reaction conditions such as temperature and dilution factors. Several fundamental studies have documented the impacts of amino acid configurations, N-alkylation, and steric bulk on both synthetic success and ensuing conformations. Carefully executed retrosynthetic ring dissection and the unique structural features of the linear precursor sequences that result from the ring dissection are crucial for the success of the cyclization step. Other factors that influence the outcome of the cyclization step include reaction temperature, solvent, reagents used as well as dilution levels. The purpose of this review is to highlight the current state of affairs on naturally occurring and rationally designed cyclic tetrapeptides, including strategies investigated for their syntheses in the literature, the conformations adopted by these molecules, and specific examples of their function. Using selected examples from the literature, an in-depth discussion of the synthetic techniques and reaction parameters applied for the successful syntheses of 12-, 13-, and 14-membered natural product CTPs and their novel analogues are presented, with particular focus on the cyclization step. Selected examples of the three-dimensional structures of cyclic tetrapeptides studied by NMR, and X-ray crystallography are also included.

}, author = {Sarojini, Vijayalekshmi and Cameron, Alan J. and Varnava, Kyriakos G. and Denny, William A. and Sanjayan, Gangadhar} } @article {45609, title = {C-F bond activation by saturated NHC: mesoionic compound formation and its unprecedented adduct with B(C6F5)3}, journal = {Angewandte Chemie - International Edition}, volume = {58}, year = {2019}, month = {FEB}, pages = {2804-2808}, type = {Article}, abstract = {

The reaction of SIPr, [1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene] (1), with C6F6 led to the formation of an unprecedented mesoionic compound (2). The formation of 2 is made accessible by deprotonation of the SIPr backbone with simultaneous elimination of HF. The C-F bond para to the imidazolium ring in 2 is only of 1.258(4) {\r A}, which is the one of the shortest structurally authenticated C-F bonds known to date. The liberation of HF during the reaction is unequivocally proved by the addition of one more equivalent of SIPr, which leads to the imidazolium salt with the HF2- anion. To functionalize 2, the latter reacted with B(C6F5)3 to give an unusual donor{\textendash}acceptor compound, where the fluoride atom from the C6F5 moiety coordinates to B(C6F5)3 and the carbanion moiety remains unaffected. Such coordination susceptibility of the fluoride atom of a nonmetallic system to a main-group Lewis acid (Fnon-metal{\textrightarrow}BR3) is quite unprecedented.

}, keywords = {C-F activation, carbanions, N-heterocyclic carbenes, structure elucidation, Ylides}, issn = {1433-7851}, doi = {10.1002/anie.201814616}, author = {Pait, M. and Kundu, G. and Tothadi, S. and Karak, S. and Jain, S. and Vanka, K. and Sen, S. S.} } @article {46107, title = {Demystifying a hexuronic acid ligand that recognizes Toxoplasma gondii and blocks its invasion into host cells}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {MAY}, pages = {4535-4542}, type = {Article}, abstract = {

Toxoplasma gondii is a ubiquitous eukaryotic pathogen responsible for toxoplasmosis in humans and animals. This parasite is an obligate intracellular pathogen and actively invades susceptible host cells, a process which is mediated by specific receptor-ligand interactions. Here, we have identified an unnatural 2,4-disulfated D-glucuronic acid (Di-S-GlcA), a hexuronic acid composed of heparin/ heparan sulfate, as a potential carbohydrate ligand that can selectively bind to T. gondii parasites. More importantly, the gelatin conjugated Di-S-GlcA multivalent probe displayed strong inhibition of parasite entry into host cells. These results open perspective for the future use of Di-S-GlcA epitopes in biomedical applications against toxoplasmosis.

}, issn = {1477-0520}, doi = {10.1039/c9ob00744j}, author = {Subramani, Balamurugan and Shantamurthy, Chethan D. and Maru, Parag and Belekar, Meenakshi A. and Mardhekar, Sandhya and Shanmugam, Dhanasekaran and Kikkeri, Raghavendra} } @article {46420, title = {Descriptors to predict dye-sensitized semiconductor based photocatalyst for hydrogen evolution reaction}, journal = {ChemCatChem}, year = {2019}, type = {Article; Early Access}, abstract = {

Discovering efficient photocatalysts for hydrogen production from water splitting is highly desirable. Computational studies can help in rational designing of such catalysts through high throughput screening of materials. However, for that purpose one needs to identify descriptors that not only connects material properties with their functionality but are easy and inexpensive to compute. Using a combination of density functional theory based calculations and experiments we show two descriptors, namely, charge injection efficiency and electron hole separation, that can be used for in silico design of new and efficient dye-sensitized-semiconductor composites as catalysts for hydrogen evolution reaction.

}, keywords = {charge injection, descriptor, dye-sensitized semiconductors, electron-hole separation, H-2 evolution}, issn = {1867-3880}, doi = {10.1002/cctc.201901924}, author = {Sappati, Subrahmanyam and George, Leena and Swamy, Vincent Paul and Devi, R. Nandini and Ghosh, Prasenjit} } @article {46168, title = {Design and synthesis of 2-amino-thiophene-proline-conjugates and their anti-tubercular activity against mycobacterium tuberculosis H37Ra}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {MAR }, pages = {2851-2857}, type = {Article}, abstract = {

The emergence of extensively drug resistant tuberculosis (XDRTB) and multi-drug resistant tuberculosis (MDR-TB) has necessitated the development of new drugs with short chemotherapy treatment regime and cost effectiveness. To overcome these challenges, we are reporting the synthesis of a series of 2-amino-thiophene-proline-conjugates which show potent invino and ex-vivo anti-tubercular (anti-TB) activity against mycobacterium tuberculosis (rntb) H37Ra. The synthesis of these 2-amino-thiophene-proline-conjugates was carried out via solution phase peptide coupling reactions using methyl-2aminothiophene-3-carboxylate 8 as an intermediate obtained by modified gewald reaction. Intermediate 8 was coupled with different amino acids to obtain dipeptides 3, 4, 5, 6a and 7. Priliminary anti-TB assay data encoureaged us to synthesize modified proline derivatives 6b-6k via formation of a benzoxazinone intermediate 16. Most of these conjugates are active against mtb H37Ra in both active (A) and dormant (D) strains. They are also active against drug resistant mtb H37Ra strains. A trifluoroethyl ester analog, 6i was the most potent among the series [MIC 1 mu g/mL] along with 6f and 6g [MIC 2-6 mu g/mL]. Cytotoxicity studies suggested that, these compounds are less cytotoxic to human cell lines HeLa, MCF-7, HUVEC and hence possess high selectivity index (SI). Docking studies revealed that the binding mode of most active compounds 6i, 6g and 6f is in accordance with their bioactivity studies having docking score 8.969, 8.446 and 7.865, respectively. More- over, in sllico ADME properties suggest that all the compounds possess drug like properties.

}, keywords = {2-aminothiophene, Anti-tubercular, docking studies, Inh A gene, selectivity index}, issn = {2365-6549}, doi = {10.1002/slct.201803370}, author = {Baravkar, Sachin B. and Wagh, Mahendra A. and Nawale, Laxman U. and Choudhari, Amit S. and Bhansali, Sujit and Sarkar, Dhiman and Sanjayan, Gangadhar J.} } @article {46125, title = {Design, synthesis and biological evaluation of (E)-5-styryl-1,2,4-oxadiazoles as anti-tubercular agents}, journal = {Bioorganic Chemistry}, volume = {86}, year = {2019}, month = {MAY}, pages = {507-512}, type = {Article}, abstract = {

Cinnamic acid and its derivatives are known for anti-tubercular activity. The present study reports the synthesis of cinnamic acid derivatives via bioisosteric replacement of terminal carboxylic acid with {\textquoteleft}{\textquoteleft}oxadiazole{\textquoteright}{\textquoteright}. A series of cinnamic acid derivatives (styryl oxadiazoles) were designed and synthesized in good yields by reaction of substituted cinnamic acids (2, 15a-15s) with amidoximes. The synthesized styryl oxadiazoles were evaluated in vitro for anti-tubercular activity against Mycobacterium tuberculosis (Mtb) H37Ra strain. The structure-activity relationship (SAR) study has identified several compounds with mixed anti-tubercular profiles. The compound 32 displayed potent anti-tubercular activity (IC50= 0.045 mu g/mL). Molecular docking studies on mycobacterial enoyl-ACP reductase enzyme corroborated well with the experimental findings providing a platform for structure based hit-to-lead development.

}, keywords = {1, 2, 4-Oxadiazole, Anti-tubercular, Bioisosteres, Cinnamic acid, Molecular docking}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2019.01.054}, author = {Upare, Abhay Atmaram and Gadekar, Pradip K. and Sivaramakrishnan, H. and Naik, Nishigandha and Khedkar, Vijay M. and Sarkar, Dhiman and Choudhari, Amit and Roopan, S. Mohana} } @article {46234, title = {Detection of toxic metal ions Pb2+ in water using SiO2@Au core-shell nanostructures: A simple technique for water quality monitoring}, journal = {Chemical Physics Letters}, volume = {732}, year = {2019}, month = {OCT}, type = {Article}, abstract = {

The present paper demonstrates a development of simple, sensitive and selective optical probe for detection of Pb2+ ions in water using monodispersed silica-gold core-shell nanostructures (SiO2@Au NSs). Structural and elemental analysis confirms the phase purity of nanostructures. The SPR studies for SiO2 @Au NSs reveals, linear dynamic range for Pb2+ ions detection, in the concentration range of 100 ppb to 2 ppm, with detection limit of 100 ppb, which is 5 times higher than AuNPs. Cross sensitivity study confirm its selectivity towards Pb2+ ions over other metal ions. XPS analysis shows the interaction of Pb2+ ions with core-shell NPs.

}, doi = {10.1016/j.cplett.2019.136635}, author = {Daware, Krishna and Kasture, Manasi and Kalubarme, Ramchandra and Shinde, Rakesh and Patil, Kashinath and Suzuki, Norihiro and Terashima, Chiaki and Gosavi, Suresh and Fujishim, Akira} } @article {46144, title = {Development and evaluation of taxon-specific primers for the selected Caudovirales taxa}, journal = {Virus Research}, volume = {263}, year = {2019}, month = {APR }, pages = {184-188}, type = {Article}, abstract = {

The phage taxonomy is primarily based on the morphology derived from Transmission Electron Microscopic (TEM) studies. TEM based characterization is authentic and accepted by scientific community. However, TEM based identification is expensive and time consuming. After the phage isolation, before analysis TEM, a DNA based rapid method could be introduced. The DNA based method could dramatically reduce the number of samples analyzed by TEM and thereby increase the speed and reduce the cost of identification. In the present work, four environmental phage isolates were identified based on TEM studies and genome size. The identification of these four phages was validated using DNA based method. The taxon-specific DNA markers were identified through multiple sequence alignments. The primers were designed at conserved genes (DNA polymerase or integrase) of 4 different phage taxa viz. family Ackermannviridae, genus Jerseyvirus, genus T4virus, and genus P22virus. These primers were evaluated using both in vitro and in silico approach for the amplification of the target taxons. Majority of the primer sets were found to amplify member species of the targeted taxa in vitro. In In silico analysis, six primer sets intended for identification of family Ackermannviridae showed positive amplification of \>= 86.7\% classified species. Further, the primers targeting the genus Jerseyvirus and T4virus showed the amplification of 53.8\% and \>= 84.6\% species, respectively. The present work is a case study performed to explore the possibility of use of taxon-specific primers for identification and taxonomic studies of newly isolated phages to supplement the TEM.

}, keywords = {Bacteriophage, DNA markers, Pcr, Primers, Taxonomy, TEM}, issn = {0168-1702}, doi = {10.1016/j.virusres.2019.02.005}, author = {Newase, Sandeep K. and Gupta, Alka and Dastager, Syed G. and Kapadnis, Balu P. and Shashidhar, Ravindranath} } @article {46315, title = {Devising chemically robust and cationic Ni(II)-MOF with nitrogen-rich micropores for moisture-tolerant CO2 capture: highly regenerative and ultrafast colorimetric sensor for TNP and multiple Oxo-anions in water with theoretical revelation}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {OCT}, pages = {40134-40150}, type = {Article}, abstract = {

Metal-organic frameworks (MOFs) show distinctive superiority for carbon dioxide (CO2) capture and luminescent sensing of toxic pollutants over other materials where combination of both of these properties together with improvement of hydrolytic stability and pore functionality is critical to environmental remediation applications. The Ni(II) framework [Ni-2(mu 2OH)(azdc)(tpim)](NO3)center dot 6DMA center dot 6MeOH (CSMCRI-3) (tpim = 44{\textquoteright}4(2)-(1H-imidazole-245-triyl)tripyridine H(2)azdc = azobenzene-44{\textquoteright}-dicarboxylic acid DMA = dimethylacetamide CSMCRI = Central Salt \& Marine Chemicals Research Institute) encompassing cationic [Ni-2(mu(2)-OH)(CO2)(2)] SBUs is solvothermally synthesized from nitrogen-rich and highly fluorescent organic struts. The noninterpenetrated structure containing free nitrogen atom affixed microporous channels is stable in diverse organic solvents and weakly basic and acidic aqueous solutions. The activated MOF (3a) exhibits strong CO2-framework interaction and extremely selective CO2 adsorption over N-2 (292.5) and CH4 (11.7). Importantly water vapor exposure does not affect the surface area and/or multiple CO2 uptake-release cycles signifying potential of the porous structure for long-term use under humid conditions. Aqueous-phase sensing studies illustrate extremely specific and ultrafast detection of explosive 246-trinitrophenol (TNP) via remarkable fluorescence quenching (K-SV = 1.3 x 10 (5) M-1) with a 0.25 ppm limit of detection (LOD). Furthermore 3a serves as unique luminescent probe for highly discriminative and quick responsive detection of three noxious oxo-anions (Cr2O7 (2-) CrO4 (2-) MnO4-) in water via noteworthy turn-off responses and extreme low LODs (Cr2O7 (2-) 0.9; CrO4 (2-) 0.29; MnO4- 0.25 ppm). It is imperative to stress the outstanding reusability of the MOF toward multicyclic sensing of all four major water contaminants alongside visible colorimetric changes upon individual analyte detection. Mechanistic insights in light of the electron transfer route together with density functional theory calculations portray the influence of pore functionalization in framework-analyte interactions including alternation in energy levels where varying degrees of contribution of energy transfer explicitly authenticates high quenching of the material.

}, keywords = {chemically robust cationic MOF, DFT calculation, fast responsive detection, humid CO2 capture, TNP and oxo-anion sensing}, issn = {1944-8244}, doi = {10.1021/acsami.9b15179}, author = {Goswami, Ranadip and Seal, Nilanjan and Dash, Soumya Ranjan and Tyagi, Anshu and Neogi, Subhadip} } @article {46100, title = {Dexterous route for synthesis of hollow spherical ZnO and ZnO-Ag nanocomposite with superior photocatalytic ability}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {MAY }, pages = {5518-5526}, type = {Article}, abstract = {

Hollow spherical ZnO and hollow ZnO-Ag nanocomposites with variable percentage of loading of Ag content were successfully fabricated through a novel, template free and easily reproducible route. Extensive characterizations were carried out using FTIR, XRD, XPS, BET, TEM and SEM. The hollow morphology of the particle and the composite encouraged a detailed photocatalysis study in comparison to solid commercial ZnO and the corresponding ZnO-Ag composite. The photocatalytic activity of the hollow particle and the composite was assessed monitoring the decolouration of methylene blue dye using UV-Vis absorption spectroscopic technique. An increased surface area for hollow morphology as compared to solid particles established a conspicuous boost in photocatalytic activity.

}, keywords = {excellent photocatalysis, synthesis, template free, ZnO hollow nanoparticles, ZnO-Ag nanocomposite}, issn = {2365-6549}, doi = {10.1002/slct.201900760}, author = {Maity, Jayeta and Bhattacharjee, Gourab and Satpati, Biswarup and Sardar, Debasmita and Ghosalya, Manoj Kumar and Bala, Tanushree} } @article {46322, title = {Diastereoselective multi-component tandem condensation: synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {OCT}, pages = {8853-8857}, type = {Article}, abstract = {

A general strategy for a one-pot stereoselective synthesis of 2-amino-4-(2-furanone)-4H-chromene-3-carbonitriles by reaction of salicylaldehyde, malononitrile and butenolides via a tandem Knoevenagel/Pinner/vinylogous Michael condensation is presented. The beta,gamma-butenolides gave a syn-selective MCR adduct with a dr up to 11.5 : 1. The mechanistic insight into the MCR was obtained by DFT calculations.

}, issn = {1477-0520}, doi = {10.1039/c9ob01345h}, author = {Gupta, Vijay and Sahu, Debashish and Jain, Shailja and Vanka, Kumar and Singh, Ravi P.} } @article {45626, title = {Dicationic liquid mediated synthesis of tetrazoloquinolinyl methoxy phenyl 4-thiazolidinones and their antibacterial and antitubercular evaluation}, journal = {Synthetic Communications}, year = {2019}, month = {JAN}, type = {Article}, abstract = {In a search of new potentially active antitubercular agents here we have synthesized 3-substituted phenyl-2-(4-(tetrazolo[1,5-a]quinolin-4-ylmethoxy)phenyl)thiazolidin-4-ones (8a{\textendash}l) and evaluated their antibacterial, particularly antitubercular activity. These have been conveniently synthesized by performing one{\textendash}pot cyclocondensation of 4-(tetrazolo[1,5-a]quinolin-4-ylmethoxy)benzaldehyde, anilines and mercaptoacetic acid in dicationic ionic liquid, (3-methyl-1-[3-(methyl-1H-imidazolium-1-yl)propyl]-1H-imidazolium dibromide [C3(MIM)2{\textendash}2Br]) and obtained excellent yields of (8a{\textendash}l). 4-Thiazolidinones (8a{\textendash}l) were thoroughly characterized by their spectral analyses. These compounds have been screened for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra and Mycobacterium bovis (BCG). The compounds 8a, 8c, and 8e exhibited notable in vitro antitubercular activity compare to the reference, Rifampicin. Molecular docking study has also been performed to know the binding mode of these analogs in to the active site of DprE1 enzyme. The synthesized compounds were also evaluated for their in vitro antibacterial activity and amongst them compound 8k has shown moderate activity against both gram-negative and gram-positive bacterial strains.}, doi = {10.1080/00397911.2018.1564928}, author = {Deshmukh, A. R. and Dhumal, S. T. and Nawale, L. U. and Khedkar, V. M. and Sarkar, D. and Mane, R. A.} } @article {46342, title = {Differential dynamics underlying the Gln27Glu population variant of the beta(2)-adrenergic receptor}, journal = {Journal of Membrane Biology}, volume = {252}, year = {2019}, month = {OCT}, pages = {499-507}, type = {Article}, abstract = {

The beta (2)-adrenergic receptor (beta (2)AR) is a membrane-bound G-protein-coupled receptor and an important drug target for asthma. Clinical studies report that the population variant Gln27Glu is associated with a differential response to common asthma drugs, such as albuterol, isoproterenol and terbutaline. Interestingly, the 27th amino acid is positioned on the N-terminal region that is the most flexible and consequently the least studied part of the receptor. In this study, we probe the molecular origin of the differential drug binding by performing structural modeling and simulations of the wild-type (Gln) and variant (Glu) receptors followed by ensemble docking with the ligands, albuterol, isoproterenol and terbutaline. In line with clinical studies, the ligands were observed to interact preferentially with the Glu variant. Our results indicate that the Glu residue at the 27th position perturbs the network of electrostatic interactions that connects the N-terminal region to the binding site in the wild-type receptor. As a result, the Glu variant is observed to bind better to the three ligands tested in this study. Our study provides a structural basis to explain the variable drug response associated with the 27th position polymorphism in the beta (2)AR and is a starting step to identify genotype-specific therapeutics.

}, keywords = {beta(2)-Adrenergic receptor, G-protein-coupled receptor, GPCR, molecular dynamics, Pharmacogenetics, SNP}, issn = {0022-2631}, doi = {10.1007/s00232-019-00093-2}, author = {Bhosale, Sumedha and Nikte, V. Siddhanta and Sengupta, Durba and Joshi, Manali} } @article {46318, title = {Dimedone-based rigid organic scaffold for organizing symmetrical helical peptide chains.}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {OCT }, pages = {11518-11522}, type = {Article}, abstract = {

We describe herein design, synthesis and conformational investigations of polypeptides attached on a rigid dimedone template. Two identical peptide chains are attached on a single carbon containing dimedone as a scaffold. Dimedone assists in controlling the secondary interactions through strong intramolecular helical C-12 and C-15 membered bifurcated hydrogen bonding on both the peptide chains along with propagating the helical architecture of the peptide chains attached. There exists a C-6 hydrogen bonding for the single stranded peptides attached to dimedone. Extensive structural investigations involving single crystal X-ray diffraction, solution-state NMR and CD studies of oligopeptides have been undertaken.

}, keywords = {dimedone, Helical, hydrogen bonding, Peptides, template}, issn = {2365-6549}, doi = {10.1002/slct.201903087}, author = {Madica, Krishnaprasad and Lakshmi, Jerripothula K. and Madhu, Suresh and Nadimpally, Krishna Chaitanya and Gonnade, Rajesh and Jagadeesh, Bharatam and Sanjayan, Gangadhar J.} } @article {46437, title = {Dinitrogen activation on graphene anchored single atom catalysts: local site activity or surface phenomena}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {NOV}, pages = {27492-27500}, type = {Article}, abstract = {

Catalysis on two-dimensional (2D) substrates with metal clusters or centers is generally dealt with as a surface phenomenon under the conjecture that the delocalized electron density is the driving force. When single atom catalysts (SACs) are anchored on such materials with delocalized electron density, for instance graphene, the stimulant for catalysis may be either the d-electrons on the metal or the system altogether. To understand the contributing factors of catalysis on such systems, a case study of dinitrogen (N-2) activation on Mo anchored graphene has been made by employing periodic and finite models of graphene. The periodic model represents a continuum of SACs anchored periodically on graphene, while the finite models are graphene nanoflakes of varying sizes and edge orientations. In addition to the physical aspects, such as size/finiteness of graphene, the influence of varying chemical compositions of the substrate on the activity is also evaluated by doping graphene with different B and N concentrations. This study, while clearly bringing out the connotation of regulating atomic composition of graphene substrate for dinitrogen activation, also surprisingly unveils the relative insignificance of varying the size and edge effects of the substrate. These features are highlighted through an analysis of red shift in the N-N stretching frequency, charge transfer to dinitrogen from the catalytic system, and structural and electronic characteristics of the catalytic system. The total and projected density of states plots reveal hybridization between the metal d orbitals and the p orbitals of carbon and nitrogen in the valence band. On the other hand, the frontier molecular orbital analysis also depicts a strong chemisorption of dinitrogen with the metal-graphene supports on account of direct hybridization between the d orbitals of the supported metal atom and the p orbitals of dinitrogen. The Bader and Lowdin charge distribution on the adsorbed dinitrogen in periodic and finite models shows the preeminence of local site over the surface activity.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.9b06757}, author = {Maibam, Ashakiran and Govindaraja, Thillai and Selvaraj, Kaliaperumal and Krishnamurty, Sailaja} } @article {46227, title = {Discovery of a novel oxadiazine derivative of glucocorticoids endowed with DNA binding activities and molecular docking studies}, journal = {Journal of Taibah University for Science}, volume = {13}, year = {2019}, month = {APR}, pages = {536-546}, type = {Article}, abstract = {

A series of new glucocorticoid oxadiazines (4-6) were synthesized by reacting glucocorticoids (1-3) with thiosemicarbazide and its derivatives. The structural assignment of products is confirmed on the basis of IR, H-1 NMR, C-13 NMR, MS and analytical data. The synthesized compounds (4-6) obeyed the Lipinski{\textquoteright}s "Rule of Five" analysis based on a computational prediction of molecular and pharmacokinetic properties. The interaction studies of compounds (4-6) with DNA were carried out by employing single-cell gel electrophoresis (comet assay), UV-vis and fluorescence spectroscopy. Compounds (4-6) were found capable of cellular DNA degradation breakage in isolated normal human lymphocytes. Viscometric and steady-state measurements further correlated with the comet assay studies. Hence, it could be suggested that the glucocorticoid compounds bearing a core oxadiazine scaffold would be a potent biological agent. Molecular docking studies further characterize the interaction of the synthesized compounds with DNA.

}, doi = {10.1080/16583655.2019.1603575}, author = {Sultanat and Ali, Abad and Asif, Mohd and Rizvi, Asim and Farhan, Mohd and Zaman, Shamsuz} } @article {47167, title = {Draft genome sequence of freshwater-derived streptomyces sp. strain BPSDS2, isolated from damte stream, northeast India}, journal = {American Society for Microbiology}, year = {2019}, month = {OCT}, type = {Article}, abstract = {

We report the draft genome sequence of Streptomyces sp. strain BPSDS2, isolated from freshwater sediments in Northeast India. The draft genome has a size of 8.27 Mb and 7,559 protein-coding sequences.

}, doi = {10.1128/MRA.00874-19}, author = {Zothanpuia and Passari, Ajit Kumar and Deka, Vinay and Rajput, Lakshmi P. M. and Priya, Purbajyoti and Dharne, Mahesh and Dastager, Syed and Mathew, Oommen K. and Hashem, Abeer and Abd_ Allah, Elsayed Fathi and Singh, Bhim Pratap} } @article {46145, title = {Dry reforming of methane in DBD plasma over Ni-based catalysts: influence of process conditions and support on performance and durability}, journal = {Energy Technology}, volume = {7}, year = {2019}, month = {APR}, pages = {1801008}, type = {Article}, abstract = {

The conversion of greenhouse gases, H-2 and CO selectivity, H-2/CO ratio, and carbon formation in the dry reforming reaction over Ni-supported ZSM-5, Al2O3, and TiO2 are tested under thermal, plasma, and plasma-thermal conditions. It is observed that the dielectric nature, specific surface area, and acid-base properties of the support influence the performance during the DRM reaction. Typical results indicate that the best activity and syngas yield are achieved with 15Ni/Al2O3 under plasma conditions, possibly due to the high dielectric constant and surface area of Al2O3 and nanosize of Ni. In the thermal condition, the highest conversion of 73\% and 68\% for CH4 and CO2, respectively, is achieved over 15Ni/ZSM-5 at 500 degrees C. Plasma-assisted thermal conditions provide the highest conversion due to the activation of reactants and their partial conversion in the plasma zone before entering into the catalytic zone. The plasma-assisted thermocatalytic conversions of CH4 and CO2 reach the best values of 76\% and 71\%, respectively, on 15Ni/ZSM-5. Under the same conditions, 68\% and 65\% conversion of CH4 and CO2, respectively, is achieved with 15Ni/Al2O3 where the selectivity for H-2 and CO is 45\% and 58\%, respectively.

}, keywords = {DBD plasma, Dry reforming, reaction conditions, supported catalysts, Syngas}, issn = {2194-4288}, doi = {10.1002/ente.201801008}, author = {Ray, Debjyoti and Nepak, Devadutta and Janampelli, Sagar and Goshal, Partha and Subrahmanyam, Ch} } @article {45493, title = {Effect and position of spiro-bipropylenedioxythiophene pi-spacer in donor-pi-spacer-acceptor dyes for dye-sensitized solar cell}, journal = {Dyes and Pigments}, volume = {161}, year = {2019}, month = {FEB}, pages = {313-323}, type = {Article}, abstract = {

Improper orientation and self-assembly of dyes on TiO2 surface are the main disadvantages at the dye-TiO2 interface that governs both charge injection and dye regeneration processes. In this report, a series of homo spiro-dimeric donor-pi-spacer-acceptor (D-pi-A) dyes based on bithiophene and terthiophene spacers with two-anchoring group containing dyes, TT1, T1T, TT1T were designed and synthesized by Pd-catalyzed successive Suzuki coupling followed by direct arylation reactions. The position of branching centre in TT1 and T1T was systematically varied, where the spiro unit was placed near and away from the anchoring carboxylic acid unit, respectively. The dimeric spiro-dye T1T showed device performance, which is 1.6 fold higher than its structural isomeric analogue TT1, of 3.9\% with a V-oc and J(sc) of 0.593 V and 9.09 mA/cm2, respectively, whereas for the isomeric analogue TT1 a device performance of 2.45\% (V-oc of 0.568 V and J(sc) of 6.25 mA/cm2) under simulated 1 Sun (100 mW/cm2) condition. The improved Voc for the dye T1T compared to TT1 dye was ascribed to the dipole moment exerted by the dyes on TiO2 surface. Further the PCE of 4.16\% (V-oc 0.589 V, J(sc) 9.79 mA/cm2 respectively) maximum was observed, when an extra thiophene unit was inserted in between the donor and pi-spacer in dye TT1T. The shifting the position of branching spiroBiProDOT pi-spacer makes an impact on the device performance by synergistically enhancing both Voc and Jsc.

}, keywords = {CDCA, D-pi-A Spiro dye, Dye aggregation, dye-sensitized solar cell, spiroBiProDOT spacer}, issn = {0143-7208}, doi = {10.1016/j.dyepig.2018.09.056}, author = {Sil, Manik Chandra and Kavungathodi, Munavvar Fairoos Mele and Nithyanandhan, Jayaraj} } @article {46014, title = {Effect of copper contamination on zooplankton epidemics}, journal = {Journal of Theoretical Biology}, volume = {469}, year = {2019}, month = {MAY}, pages = {61-74}, type = {Article}, abstract = {

Infectious disease and chemical contamination are increasingly becoming vital issues in many ecosystems. However, studies integrating the two are surprisingly rare. Contamination not only affects the inherent host-resource interaction which influences the epidemic process but may also directly affect epidemiological traits via changes in host{\textquoteright}s behaviour. The fact that heavy metal such as copper is also an essential trace element for organisms, further increase complexity which make predicting the resultant effect of contamination and disease spread difficult. Motivated by this, we model the effect of copper enrichment on a phytoplankton-zooplankton-fungus system. We show that extremely deficient or toxic copper may have a destabilizing effect on the underlying host-resource dynamics due to increased relative energy fluxes as a result of low host mortality due to fish predation. Further, on incorporating disease into the system, we find that the system can become disease-free for an intermediate range of copper concentration whereas it may persist for very less copper enrichment. Also, we predict that there may exist vulnerable regions of copper concentration near the toxic and deficient levels, where the parasite can invade the system for a comparatively lower spore yield. Overall, our results demonstrate that, the effect of contamination may be fundamental to understanding disease progression in community ecology. (C) 2019 Elsevier Ltd. All rights reserved.

}, keywords = {Bistability, Chemical contamination, Daphnia-parasite, Hormesis, Host-resource}, issn = {0022-5193}, doi = {10.1016/j.jtbi.2019.02.016}, author = {Banerjee, Swarnendu and Sarkar, Ram Rup and Chattopadhyay, Joydev} } @article {46013, title = {Effect of electrostatic interactions on structure and mechanical properties of ice templated colloid-polymer composites}, journal = {Journal of Physics D-Applied Physics}, volume = {52}, year = {2019}, month = {MAY }, pages = {214002}, type = {Article}, abstract = {

When an aqueous dispersion of negatively charged colloids, cationic polymer and crosslinker is frozen and the polymer is allowed to crosslink in the frozen state, we obtain a self-standing macroporous composite foam. This material is soft, despite the high concentration of colloids and yet is remarkably elastic to large compressive strains. In these macroporous composites, the pore walls comprise colloidal particles held within a crosslinked polymer network. Here, we investigate the effect of varying colloid- polymer interactions in pre-fabricated macroporous composites on their microstructure and mechanical properties. During preparation of the composite, cationic polymer adsorbs on the negatively charged colloids. We tune the surface charge of particles embedded in a macroscopic monolith by immersing the composites in water maintained at different pH. In this way, we tune polymer-particle interactions in the composite. We observe a sudden increase in interparticle distance and swelling of composite when pH is decreased below the particle{\textquoteright}s isoelectric point. Correspondingly, we observe reduction in Young{\textquoteright}s and shear moduli, compression strength and macroscopic energy dissipation. We did not observe any pH dependent changes in pure polymer sponges (prepared by ice templating and crosslinking a polymer solution that does not contain colloidal particles). Therefore, the pH dependent structural and mechanical property changes arise from the composite structure rather than purely from the crosslinked polymer. We believe that the reduction in mechanical stiffness when the polymer-particle interaction becomes repulsive is because of the reduction in interfacial contacts between particle and polymer. Therefore, the mechanical stiffness of ice templated composite is strongly influenced by interactions between the polymer and particle surface.

}, keywords = {colloid, electrostatic interaction, ice templating, mechanical properties, Polymer}, issn = {0022-3727}, doi = {10.1088/1361-6463/ab0b7b}, author = {Suresh, Karthika and Kumaraswamy, Guruswamy} } @article {46210, title = {Effect of media components and growth conditions for improved linoleic acid production by beauveria species}, journal = {Journal of the American Oil Chemists Society}, volume = {96}, year = {2019}, month = {AUG}, pages = {945-954}, type = {Article}, abstract = {

Beauveria species are well-known insect pathogenic fungi, and Beauveria bassiana is used as a biopesticide against various pests in agriculture. However, the Beauveria species has not been reported as producers of microbial oils. In this study, Beauveria spp. MTCC 5184 was used to produce microbial oil with high linoleic acid (LA) content. Ten experiments were performed to evaluate the effects of several media parameters, such as carbon and nitrogen sources, pH, various concentrations of carbon and nitrogen, growth duration, and oleic acid (OLA) supplementation for maximum LA and dry biomass production by the fungus. Several of these parameters had a significant impact on the production of LA, as well as dry biomass. The glucose yeast extract (GYE) medium supplemented with 1.5\% (w/v) peptone yielded maximum LA (0.32 +/- 0.01 g L-1) and biomass (5.51 +/- 0.26 g L-1). However, through the addition of 1.0\% (w/v) OLA, the precursor of LA, LA production was enhanced 12-fold (1.24 +/- 0.03 g L-1), and the biomass production increased by 5-fold (11.05 +/- 0.46 g L-1) in comparison to those in the basal (GYE) medium. Using lactose as the sole carbon source produced the lowest LA (0.05 +/- 0.00 g L-1) and biomass (1.04 +/- 0.10 g L-1). The results of this study will be useful for the commercial exploitation of this fungus for the production of LA-rich microbial oil for use in the production of lubricants, greases, paints, cosmetics, etc.

}, doi = {10.1002/aocs.12252}, author = {Sanghi, Smrati and Chirmade, Tejas and More, Snehal and Prabhune, Asmita and Gupta, Vidya and Kadoo, Narendra} } @article {46447, title = {Effect of substitution on the excited state photophysical and spectral properties of boron difluoride curcumin complex dye and their derivatives: a time dependent-DFT study}, journal = {Journal of Photochemistry and Photobiology B-Biology}, volume = {199}, year = {2019}, month = {OCT}, pages = {111595}, type = {Article}, abstract = {

The optical, charge transport and electronic properties of boron difluoride curcumin (BFC) complex have been explored using the DFT (Density Functional Theory) method and B3LYP functional with the combination of 6-31 + G(d,p) as a basis set. The influence of substitution with various electron releasing and withdrawing groups on the above properties is analyzed and discussed in this work. The results reveal that the BFC complex on additional electron releasing substitution experiences redshifts in the optical transitions, and this is correlated with the dipole moment, NBO charges, HOMO-LUMO energy gap. Further, the absorption (lambda(abs)) and emission (lambda(ems)) spectra of substituted and unsubstituted BFCs are calculated using Time-Dependent Density Functional Theory (TD-DFT). The results show that the electron releasing groups strongly influence the absorption and emission spectra of BFC. Electron releasing groups in BFC derivatives generate the wavelength shift (Bathochromic), but the electron-withdrawing groups in BFC don{\textquoteright}t affect the lambda(abs) and lambda(ems) when compare to its original (parent) compound. The output of the research work strongly recommends that the amino, phenyl and N, N{\textquoteright}-dimethylamino derivatives are potential candidates to act as fluorescent materials due to enhance the emission behavior of BFC and also can be used as an electron/charge transport material for organic light-emitting diodes (OLEDs).

}, keywords = {Absorption, Boron difluoride curcumin, Emission, Molecular orbitals, Time-dependent density functional theory}, issn = {1011-1344}, doi = {10.1016/j.jphotobiol.2019.111595}, author = {Selvam, Karthick and Gandhi, Sivaraman and Krishnarnurty, Sailaja and Gopalakrishnan, Gopu} } @article {46429, title = {Efficient and convenient route for the synthesis of thiophene-2-carboxamidines as potential inhibitors of nitric oxide synthase (NOS)}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {NOV}, pages = {151254}, type = {Article}, abstract = {

A mild and efficient synthesis of substituted thiophene-2-carboxamidines which are potent inhibitors of nitric oxide synthase (NOS) is reported herein. The key step involves reaction of a BOC-protected imidazolyl thiophene-2-carboxamidine reactive intermediate with various primary amines to form BOC-thio-phene-2-carboxamidines which could be readily deprotected using TFA to furnish free carboxamidines. The method is very mild and tolerates diverse substituents including sensitive peptide and amino acid fragments. This new methodology represents a substantial improvement to the literature method owing to its simplicity and hassle-free purification procedures. (C) 2019 Elsevier Ltd. All rights reserved.

}, keywords = {Amidines, Nitric oxide synthase (NOS), Nitric oxide synthase inhibitors, Thiophene-2-carboxamidines}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2019.151254}, author = {Rashid, P. P. and Singh, Dharmendra and Sanjayan, Gangadhar J.} } @article {47496, title = {Efficient and cost effective synthesis of acetamides catalyzed by calcium chloride}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {58}, year = {2019}, month = {OCT}, pages = {1125-1130}, type = {Article}, abstract = {CaCl2 has been found to be an efficient and cost effective catalyst for the rapid synthesis of acetamides in high yields. The use of stoichiometric quantities of acetic anhydride under solvent free conditions without any additional chromatographic purifications makes this protocol a safe alternative to the existing methods.}, keywords = {Acetamide, acetylation, Acylation, Amine, CaCl2}, issn = {0376-4699}, author = {Sangole, M. T. and Thorat, S. M. and Shirsath, S. and Deshmukh, S. P. and Muthukrishnan, M. and Mujahid, M.} } @article {46138, title = {Efficient broad-band emission from contorted purely corner-shared one dimensional (1D) organic lead halide perovskite}, journal = {Chemistry of Materials}, volume = {31}, year = {2019}, month = {APR }, pages = {2253-2257}, type = {Article}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.9b00069}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Shaikh, Samir R. and Shinde, Aparna and Lohar, Amruta and Jena, Satyam and Gonnade, Rajesh G. and Kundu, Janardan} } @article {45617, title = {Efficient heterogeneous copper fluorapatite (CuFAP)-catalysed oxidative synthesis of diaryl sulfone under mild ligand- and base-free conditions}, journal = {New Journal of Chemistry}, volume = {43}, year = {2019}, month = {JAN}, pages = {1632-1636 }, type = {Article}, abstract = {A simple, eco-friendly and efficient method for the synthesis of unsymmetrical diaryl sulfones using heterogeneous copper fluorapatite (CuFAP)-catalysed coupling of aryl sulfonic acid and phenyl boronic acid has been developed with good to excellent yields without use of any ligand, base or co-catalyst. Broad substrate scope and gram scale operations are the important features of this method.}, doi = {10.1039/C8NJ04845B}, author = {Kamble, R. B. and Chavan, S. S. and Suryavanshi, G.} } @conference {46218, title = { Efficient removal of Arsenic (III) by novel micro and nano dialdehyde cellulose-cysteine complex extracted from wood pulp cellulose }, booktitle = {Abstracts of Papers of the American Chemical Society}, year = {2019}, month = {APR}, address = {Orlando, FL}, author = {Chen, Hui and Sharma, Sunil and Sharma, Priyanka and Yeh, Heidi and Hsiao, Benjamin} } @article {46350, title = {Electronic integration and thin film aspects of Au-Pd/rGO/TiO2 for improved solar hydrogen generation}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {SEP}, pages = {32869-32878}, type = {Article}, abstract = {

In the present work, we have synthesized noble bimetallic nanoparticles (Au-Pd NPs) on a carbon-based support and integrated with titania to obtain Au-Pd/C/TiO2 and Au-Pd/rGO/TiO2 nanocomposites using an ecofriendly hydrothermal method. Here, a 1:1 (w/w) Au-Pd bimetallic composition was dispersed on (a) high-surface-area (3000 m(2) g(-1)) activated carbon (Au-Pd/C), prepared from a locally available plant source (in Assam, India), and (b) reduced graphene oxide (rGO) (Au-Pd/rGO); subsequently, they were integrated with TiO2. The shift observed in Raman spectroscopy demonstrates the electronic integration of the bimetal with titania. The photocatalytic activity of the above materials for the hydrogen evolution reaction was studied under 1 sun conditions using methanol as a sacrificial agent in a powder form. The photocatalysts were also employed to prepare a thin film by the drop-casting method. Au-Pd/rGO/TiO2 exhibits 43 times higher hydrogen (H-2) yield in the thin film form (21.50 mmol h(-1) g(-1)) compared to the powder form (0.50 mmol h(-1) g(-1)). On the other hand, Au-Pd/C/TiO2 shows 13 times higher hydrogen (H-2) yield in the thin film form (6.42 mmol h(-1) g(-1)) compared to the powder form (0.48 mmol h(-1) g(-1)). While powder forms of both catalysts show comparable activity, the Au-Pd/rGO/TiO2 thin film shows 3.4 times higher activity than that of Au-Pd/C/TiO2. This can be ascribed to (a) an effective separation of photogenerated electron-hole pairs at the interface of Au-Pd/rGO/TiO2 and (b) the better field effect due to plasmon resonance of the bimetal in the thin film form. The catalytic influence of the carbon-based support is highly pronounced due to synergistic binding interaction of bimetallic nanoparticles. Further, a large amount of hydrogen evolution in the film form with both catalysts (Au-Pd/C/TiO2 and Au-Pd/rGO/TiO2) reiterates that charge utilization should be better compared to that in powder catalysts.

}, keywords = {bimetal, Photocatalysis, surface plasmon resonance, TiO2, water splitting}, issn = {1944-8244}, doi = {10.1021/acsami.9b07070}, author = {Tudu, Bijoy and Nalajala, Naresh and Reddy, Kasala P. and Saikia, Pranjal and Gopinath, Chinnakonda S.} } @article {46122, title = {Electrospun polycaprolactone/hydroxyapatite/ZnO nanofibers as potential biomaterials for bone tissue regeneration}, journal = {Journal of Materials Science-Materials In Medicine}, volume = {30}, year = {2019}, month = {MAY}, pages = {51}, type = {Article}, abstract = {

Fabricating a bioartificial bone graft possessing structural, mechanical and biological properties mimicking the real bone matrix is a major challenge in bone tissue engineering. Moreover, the developed materials are prone to microbial invasion leading to biomaterial centered infections which might limit their clinical translation. In the present study, biomimetic nanofibrous scaffolds of Poly -caprolactone (PCL)/nano-hydroxyapatite (nHA) were electrospun with 1wt\%, 5wt\%, 10wt\%, 15wt\% and 30wt\% of zinc oxide (ZnO) nanoparticles in order to understand the optimal concentration range of (ZnO) nanoparticles balancing both biocompatibility and osteoregeneration. The developed nanofibrous scaffolds were successfully characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray analysis (EDAX), contact angle, fourier transform infrared spectroscopy (FTIR), wide-angle X-Ray diffraction (WAXD), brunaueremmett Teller (BET) surface area and tensile testing. Biocompatibility of the developed scaffolds at in vitro level was evaluated by culturing MG-63 cells and investigating the impact on cell viability, proliferation, protein adsorption, alkaline phosphatase (ALP) activity and biomineralization. The PCL/nHA scaffolds exhibited a 1.2-fold increase in cell viability and proliferation, while incorporation of ZnO nanoparticles to PCL/nHA imparted antimicrobial activity to the scaffolds with a progressive increase in the antimicrobial efficacy with increasing ZnO concentration. The results of cell viability were supported by ALP activity and mineralization assay, wherein, PCL/nHA/ZnO scaffolds showed higher ALP activity and better mineralization capacity as compared to pristine PCL. Although, the PCL/nHA/ZnO scaffolds with 10, 15 and 30wt\% of ZnO particles exhibited superior antimicrobial efficacy against both gram-negative (E. coli) and gram-positive (S. aureus) bacteria, a significant decrease in the cell viability and mechanical properties was observed at higher concentrations of ZnO namely 15 and 30\%. Amongst the various ZnO concentrations studied optimal cell viability, antimicrobial effect and mechanical strength were observed at 10wt.\% ZnO concentration. Thus, the present study revealed that the biomimetic tri-component PCL/nHA/ZnO scaffolds with ZnO concentration range of10\% could be ideal for achieving optimal biocompatibility (cell proliferation, biomineralization, and antimicrobial capacity) and mechanical stability thus making it a promising biomaterial substrate for bone tissue regeneration. [GRAPHICS] .

}, issn = {0957-4530}, doi = {10.1007/s10856-019-6255-5}, author = {Shitole, Ajinkya A. and Raut, Piyush W. and Sharma, Neeti and Giram, Prabhanjan and Khandwekar, Anand P. and Garnaik, Baijayantimala} } @article {45576, title = {Enhanced energy density and stability of self-assembled cauliflower of Pd doped monoclinic WO3 nanostructure supercapacitor}, journal = {Materials Chemistry and Physics}, volume = {225}, year = {2019}, month = {MAR}, pages = {192-199}, type = {Article}, abstract = {Enhanced electrochemical performance of WO3 nanostructures by engineering their morphology, structural and surface defect at nanoscale is feasible. Herein we report the effect of Pd doping on the morphological and electrochemical properties of WO3 at nanoscale prepared by a simple hydrothermal method. The synthesized pristine WO3 (cabbage like morphology) and Pd doped WO3 (cauliflower like morphology) are examined by using XRD, XPS, Raman spectra, BET, FE-SEM, TEM. The morphological investigation shows the effective rebuilding of nanosheets assembled cabbage shaped pristine WO3 into nanobricks assembled cauliflower shaped Pd doped WO3 with improvement in crystallinity, surface area and conductivity. As a result, the enhancement in the electrochemical performance of cauliflower shaped Pd-WO3 is recorded four times higher specific capacitance than pristine WO3. Additionally, the excellent cyclic stability (almost ten times higher than pristine WO3) up to 1100 cycles with nearly 86.95\% capacity retention is observed in Pd-WO3 attributed to Pd content and highly modified structural arrangement.}, doi = {10.1016/j.matchemphys.2018.12.077}, author = {Gupta, S. P. and Patil, V. B. and Tarwal, N. L. and Bhame, S. D. and Gosavi, S. W. and Mulla, I. S. and Late, D. J. and Suryavanshi, S. S. and Walke, P. S.} } @article {46213, title = {Enhancing epi-cedrol production in escherichia coli by fusion expression of farnesyl pyrophosphate synthase and epi-cedrol synthase}, journal = {Engineering in Life Science }, year = {2019}, month = {JULY}, type = {Article}, abstract = {

Terpene synthase catalyses acyclic diphosphate farnesyl diphosphate into desired sesquiterpenes. In this study, a fusion enzyme was constructed by linking Santalum album farnesyl pyrophosphate synthase (SaFPPS) individually with terpene synthase and Artemisia annua Epi-cedrol synthase (AaECS). The stop codon at the N-terminus of SaFPPS was removed and replaced by a short peptide (GSGGS) to introduce a linker between the two open reading frames. This fusion clone was expressed in Escherichia coli Rosseta DE3 cells. The fusion enzyme FPPS-ECS produced sesquiterpene 8-epi-cedrol from substrates isopentenyl pyrophosphate and dimethylallyl pyrophosphate through sequential reactions. The K-m values for FPPS-ECS for isopentyl diphosphate was 4.71 mu M. The fusion enzyme carried out the efficient conversion of IPP to epi-cedrol, in comparison to single enzymes SaFPPS and AaECS when combined together in enzyme assay over time. Further, the recombinant E. coli BL21 strain harbouring fusion plasmid successfully produced epi-cedrol in fermentation medium. The strain having fusion plasmid (pET32a-FPPS-ECS) produced 1.084 +/- 0.09 mg/L epi-cedrol, while the strain harbouring mixed plasmid (pRSETB-FPPS and pET28a-ECS) showed 1.002 +/- 0.07 mg/L titre in fermentation medium by overexpression and MEP pathway utilization. Structural analysis was done by I-TASSER server and docking was done by AutoDock Vina software, which suggested that secondary structure of the N- C terminal domain and their relative positions to functional domains of the fusion enzyme was greatly significant to the catalytic properties of the fusion enzymatic complex than individual enzymes.

}, doi = {10.1002/elsc.201900103}, author = {Navale, Govinda R and Sharma, Poojadevi and Said, Madhukar S and Ramkumar, Sudha and Dharne, Mahesh S and Thulasiram, H., V and Shinde, Sandip S} } @article {47154, title = {Enhancing the device efficiency by filling the traps in photoanodes}, journal = {Journal of Materials Chemistry C}, volume = {7}, year = {2019}, month = {DEC }, pages = {14632-14638}, type = {Article}, abstract = {

Traps are ubiquitous in semiconductors and act as recombination sites. These recombination sites have a deleterious effect on the device efficiency. Thus, trap filling is used to increase the efficiency of devices. The traps are filled by dopants that either inject or extract electrons to/from the semiconductor. The trap-filled devices exhibit superior performance as compared to their unfilled counterparts. However, to date, this approach has not been explored in dye-sensitized solar cells despite the well-established presence of traps in them. The traps in the TiO2 photoanode are due to the presence of oxygen vacancies. Therefore, herein, we treated the photo anodes with hydrazine and filled the traps that increased all device metrics. Moreover, further sintering of the trap-filled photoanodes in the presence of hydrazine led to the formation of a nitrogen-doped photoanode. The device comprising a nitrogen-doped photoanode exhibited the efficiency increase of 23\%. The detailed analysis of the device performance led to the conclusion that trap filling suppressed back electron transfer and increased the photo conversion efficiency.

}, issn = {2050-7526}, doi = {10.1039/c9tc04740a}, author = {Sudhakar, Vediappan and Krishnamoorthy, Kothandam} } @article {46147, title = {Epoxidation of karanja (Millettia pinnata) oil methyl esters in the presence of hydrogen peroxide over a simple niobium-containing catalyst}, journal = {Catalysts}, volume = {9}, year = {2019}, month = {APR}, pages = {344}, type = {Article}, abstract = {

The synthesis, characterization and catalytic performance of a conceptually simple, novel NbOx-SiO2 catalyst are here described. The niobium(V)-silica catalyst was prepared starting from cheap and viable reactants, by alkaline deposition of NH4Nb(C2O4)(2)H2O in the presence of fructose as a stabilizer and subsequent calcination. The NbOx-SiO2 solid (0.95 Nb wt.\%) was tested in the liquid-phase epoxidation with aqueous hydrogen peroxide of methyl oleate, as a model substrate. It was then tested in the epoxidation of a mixture of methyl esters (FAMEs) obtained by transesterification with methanol and purification of karanja oil, extracted from the autochthonous Indian variety of Millettia pinnata tree. The catalyst showed a promising performance in terms of methyl oleate conversion (up to 75\%) and selectivity to epoxide (up to 82\%). It was then tested on the FAME mixture from karanja oil, where interesting conversion values were attained (up to 70\%), although with lower selectivities and yields to the mixture of desired epoxidized FAMEs. The solid withstood four catalytic cycles overall, during which a non-negligible surface reorganization of the Nb(V) sites was observed. However, this restructuring did not negatively affect the performance of the catalysts in terms of conversion or selectivity.

}, keywords = {epoxidation, fatty acid methyl esters, heterogeneous catalysis, Hydrogen peroxide, karanja oil, mesoporous silica catalyst, Millettia pinnata, niobium catalysts}, issn = {2073-4344}, doi = {10.3390/catal9040344}, author = {Scotti, Nicola and Ravasio, Nicoletta and Evangelisti, Claudio and Psaro, Rinaldo and Penso, Michele and Niphadkar, Prashant S. and Bokade, Vijay V. and Guidotti, Matteo} } @article {46078, title = {Evidence of nitrite acting as a stable and robust inducer of non-cultivability in Mycobacterium tuberculosis with physiological relevance}, journal = {Scientific Reports}, volume = {9}, year = {2019}, month = {JUN }, pages = {9261}, type = {Article}, abstract = {

Tuberculosis (TB) is the ninth leading cause of death worldwide, ranking above human immunodeficiency virus. Latency is the major obstacle in the eradication of this disease. How the physiology of the pathogen changes in transition to the latent stage needs to be understood. The latent bacteria extracted from animal hosts exist in a nonculturable (NC) phase, whereas bacteria extracted from most in vitro models are culture-positive. In the present study, we observed that nitrite, up to a concentration of 5 mM, shows the growth of Mycobacterium tuberculosis (MTB) in liquid media, but this effect starts reversing at higher concentrations. At a concentration of 10 mM, nitrite induces rapid nonculturability of MTB at the aerobic stage. This noncultivable dormancy was confirmed by analyzing the characteristics of NC bacteria. Further differential gene expression analyses clearly supported the formation of a dormancy phenotype. This study will be helpful for the use of this bacillus as a dormancy model in future studies on TB latency.

}, issn = {2045-2322}, doi = {10.1038/s41598-019-45652-8}, author = {Gample, Suwarna P. and Agrawal, Sonia and Sarkar, Dhiman} } @article {46279, title = {"EviMass": A literature evidence-based miner for human microbial associations}, journal = {Frontiers in Genetics}, volume = {10}, year = {2019}, month = {SEP}, type = {Article}, abstract = {

The importance of understanding microbe-microbe as well as microbe-disease associations is one of the key thrust areas in human microbiome research. High-throughput metagenomic and transcriptomic projects have fueled discovery of a number of new microbial associations. Consequently, a plethora of information is being added routinely to biomedical literature, thereby contributing toward enhancing our knowledge on microbial associations. In this communication, we present a tool called "EviMass" (Evidence based mining of human Microbial Associations), which can assist biologists to validate their predicted hypotheses from new microbiome studies. Users can interactively query the processed back-end database for microbe-microbe and disease-microbe associations. The EviMass tool can also be used to upload microbial association networks generated from a human "disease-control" microbiome study and validate the associations from biomedical literature. Additionally, a list of differentially abundant microbes for the corresponding disease can be queried in the tool for reported evidences. The results are presented as graphical plots, tabulated summary, and other evidence statistics. EviMass is a comprehensive platform and is expected to enable microbiome researchers not only in mining microbial associations, but also enriching a new research hypothesis. The tool is available free for academic use at https://web.rniapps.net/evimass.

}, doi = {10.3389/fgene.2019.00849}, author = {Srivastava, Divyanshu and Baksi, Krishanu D. and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {45478, title = {Evolution of ZnO nanostructures as hexagonal disk: Implementation as photoanode material and efficiency enhancement in Al: ZnO based dye sensitized solar cells}, journal = {Applied Surface Science}, volume = {470}, year = {2019}, month = {MAR}, pages = {1130-1138}, type = {Article}, abstract = {

Hexagon shaped pristine and Al doped ZnO nanodisks (NDs) with exposed +/- [0001] polar facets were successfully synthesized using modified sol-gel method without the involvement of any structural directing or capping agents. It was investigated that OH- ions in mixed solvent system is responsible for pore formation and inhibit the growth of ZnO along the direction of c-axis leading to a high percentage exposure of active +/- [0001] polar facets and encourage the formation of ZnO NDs. Crystallographic analysis revealed that crystallite size and lattice constants are decreased, with the addition of Al3+ ions. The results obtained from Raman, and XPS analysis further corroborated with the XRD results, revealed the successful incorporation of Al3+ ions into ZnO lattice. Optical study revealed the band gap tunability with the incorporation of Al ion as dopant. Enhanced power conversion efficiency (PCE) of 1.96\% (J(sc) similar to 7.69 +/- 0.23 mA/cm(2)) was observed for Al: ZnO hexagonal NDs based DSSC. The increased PCE in Al: ZnO based DSSC can be attributed to the higher inner surface area for dye anchoring by the interconnected network of the disk-like structure. The obtained results were satisfactory and most importantly the synthesis procedure proposed in present work is excellent for the synthesis of perfectly hexagonal shaped disks under precised synthesis parameters. The device interface study was further conducted using electrochemical impedance spectroscopy which revealed better charge transport process and charge storage ability with the incorporation of Al3+ ions into ZnO lattice.

}, keywords = {dye sensitized solar cells, Hexagonal disks, Sol-gel method, ZnO}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2018.11.077}, author = {Parra, Mohammad Ramzan and Pandey, Padmini and Siddiqui, Hafsa and Sudhakar, Vediappan and Krishnamoorthy, Kothandam and Haque, Fozia Z.} } @article {46266, title = {Experimental and density functional theory investigations of catechol sensing properties of ZnO/RGO nanocomposites}, journal = {Applied Surface Science}, year = {2019}, month = {NOV}, type = {Article}, abstract = {

Catechol, an essential industrial feedstock is one of the major environmental pollutant which causes several health issues including skin irritation, eye damage and genetic defects. In this work, we have investigated the catechol sensing performance of ZnO/RGO composites for its quantitative detection. ZnO/RGO composite showed superior electron transfer kinetics, sensitivity (162.04 mu A mM cm(-2)) and lower detection limit (47 nM) than that of bare ZnO nanoparticles. Further, the change in the zeta potential towards the lower negative demonstrated the strong electrostatic interaction between ZnO-RGO and catechol where it is converted as 1, 2 Benzoquinone through redox reactions. By using state of the art of Density Functional Theory simulations, we have demonstrated the interaction of catechol molecule on various ZnO clusters and RGO supported ZnO clusters. The strong bonding between p orbital of O atom of catechol and d orbital of Zn atom and its charge transfer facilitate the oxidation of catechol molecule. In the presence of RGO, the binding energy of catechol and charge transfer increases which qualitatively infer that RGO/ZnO exhibits higher sensitivity compared to bare ZnO and in consistency with the experimental observations.

}, doi = {10.1016/j.apsusc.2019.143588}, author = {Ponnusamy, Rajeswari and Venkatesan, Rajiu and Gangan, Abhijeet and Samal, Rutuparna and Chakraborty, Brahmananda and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {46335, title = {Exploring battery-type ZnO/ZnFe2O4 spheres-3D graphene electrodes for supercapacitor applications: advantage of yolk-shell over solid structures}, journal = {ChemElectroChem }, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {

Recently, a ZnO/ZnFe2O4 composite has been reported to be a promising material for energy storage, owing to its large specific capacity and good redox activity. However, due to the inability to accommodate its strong volumetric variations during operation, it fails to retain its capacitance, which remains as a significant hitch. Herein, we present our attempt towards solving this through a binder-free electrode design comprising a porous yolk-shell ZnO/ZnFe2O4 composite matrixed inside a 3D network of graphene, which, in turn, is grown on Ni foam. The design exhibits a four-fold increase in its specific capacitance, yielding 1334 F g(-1) (specific capacity of 370.5 mAh g(-1)) at a current density of 0.5 A g(-1) in comparison to that of the ZnO/ZnFe2O4 electrodes (309 F g(-1) (85.8 mAh g(-1)) at 0.5 A g(-1)) comprising solid metal oxide spheres. The major advantage of the design is the well-defined yolk-shell architecture that provides free space for volume expansion during long cycling processes and channels for ionic transportation; whereas, the conductive 3D graphene network and porous Ni foam facilitate electronic conduction. The availability of free space in yolk-shell sphere electrodes facilitates the capacitance retention of up to 80 \% beyond 5000 cycles at a current density of 1 A g(-1), which is in contrast to the capacitance retained by the solid spheres of only approximately 60 \%. These results directly demonstrate the significant consequence of the yolk-shell architecture-based binder-free design and its promising potential in high-performing supercapacitors and batteries.

}, keywords = {binder-free electrodes, graphene hydrogels, Supercapacitors, volume expansion, yolk-shell spheres}, issn = {2196-0216}, doi = {10.1002/celc.201901269}, author = {Jhajharia, Suman Kumari and Manappadan, Zinoy and Selvaraj, Kaliaperumal} } @article {46070, title = {Exploring notch pathway to elucidate phenotypic plasticity and intra-tumor heterogeneity in gliomas}, journal = {Scientific Reports}, volume = {9}, year = {2019}, month = {JUL }, pages = {9488}, type = {Article}, abstract = {

The phenotypic plasticity and self-renewal of adult neural (aNSCs) and glioblastoma stem cells (GSCs) are both known to be governed by active Notch pathway. During development, GSCs can establish differential hierarchy to produce heterogeneous groups of tumor cells belong to different grades, which makes the tumor ecosystem more complex. However, the molecular events regulating these entire processes are unknown hitherto. In this work, based on the mechanistic regulations of Notch pathway activities, a novel computational framework is introduced to inspect the intra-cellular reactions behind the development of normal and tumorigenic cells from aNSCs and GSCs, respectively. The developmental dynamics of aNSCs/GSCs are successfully simulated and molecular activities regulating the phenotypic plasticity and self-renewal processes in normal and tumor cells are identified. A novel scoring parameter {\textquoteleft}{\textquoteleft}Activity Ratio{\textquoteright}{\textquoteright} score is introduced to find out driver molecules responsible for the phenotypic plasticity and development of different grades of tumor. A new quantitative method is also developed to predict the future risk of Glioblastoma tumor of an individual with appropriate grade by using the transcriptomics profile of that individual as input. Also, a novel technique is introduced to screen and rank the potential drug-targets for suppressing the growth and differentiation of tumor cells.

}, issn = {2045-2322}, doi = {10.1038/s41598-019-45892-8}, author = {Chowdhury, Saikat and Sarkar, Ram Rup} } @article {46149, title = {Exploring the potential of Desmodium gangeticum (L.) DC. extract against spatial memory deficit in rats}, journal = {Pharmacognosy Magazine}, volume = {15}, year = {2019}, month = {APR}, pages = {78-83}, type = {Article}, abstract = {

Background: A few published reports demonstrated the neuroprotective effect of Desmodium gangeticum (L.) DC. in an acute model of dementia. Objective: The purpose of the present study was to evaluate the preclinical efficacy of D. gangeticum against chronic dementia when administered prophylactically. Materials and Methods: Chronic spatial memory deficit was induced in rats by aluminum chloride (AlCl3, 10 mg/kg, i.p.). Treatment with hydroalcoholic whole plant extract of D. gangeticum (DG extract) was initiated 2 week before AlCl3 challenge and continued till the 51(st) day after the challenge, orally at the dose of 400 mg/kg/day. The spatial memory was assessed by Morris water maze test. Hippocampal and frontal cortex acetyl cholinesterase (AChE) and oxidative stress were assessed in diseased rat brains. Results: Chronic administration of AlCl3 produced spatial memory deficit in rats. Memory impairment was manifested in rats as an increase in escape latency and D-quadrant latency whereas a decrease in total time spent in D-quadrant. These behavioral alterations were reversed significantly by the treatment with DG extract. In addition, DG extract significantly increased the island time, indicating memory improvement. DG extract corrected the declined AChE in frontal cortex and altered frontal cortex/hippocampus catalase activity. Phytochemical investigation of the DG extract revealed large content of saponins among the other phytochemicals such as tannins, alkaloids, and flavonoids. Conclusion: These results indicate the possible prophylactic potential of saponin-rich DG extract against chronic memory deficit in rats.

}, keywords = {Acetyl cholinesterase, Aluminum chloride, dementia, Desmodium gangeticum (L) DC, Oxidative stress}, issn = {0973-1296}, doi = {10.4103/pm.pm_501_18}, author = {Changdar, Nilanjan and Ganjhu, Rajesh Kumar and Rijal, Samita and Kumar, Ayush and Mallik, Shanchari Basu and Nampoothiri, Madhavan and Shenoy, Rekha R. and Sonawane, Kiran B. and Rao, Mallikarjuna C. and Mudgal, Jayesh} } @article {46206, title = { Exploring the steady operation of a continuous pilot plant for the di-nitration reaction }, journal = {Chemical Engineering \& Technology}, year = {2019}, month = {AUG}, type = {Article; Early Access}, abstract = {

Continuous-flow synthesis of the selective herbicide pendimethalin was demonstrated in both a laboratory-scale and a pilot-scale reactor using only concentrated nitric acid as nitrating agent. The di-nitration reaction follows second-order kinetics where the reaction is first order with respect to both reactant and nitric acid. The pinched-tube reactor was chosen for pilot-scale reactor fabrication due to its excellent mixing and mass transfer characteristics compared to a straight-tube reactor. The estimated mass transfer coefficient showed similar nature in the laboratory-scale and the pilot-scale pinched-tube reactor, ensuring similar performance at the pilot scale. Di-nitration in continuous flow, inline quenching, extraction, and phase separation are some of the salient features of the developed pilot plant. The importance of the start-up time for achieving steady state in the flow system at the large scale is highlighted.

}, doi = {10.1002/ceat.201900140}, author = {Sharma, Mrityunjay and Acharya, Roopashree B. and Kulkarni, Amol A} } @article {46142, title = {External oxidant-dependent reactivity switch in copper-mediated intramolecular carboamination of alkynes: access to a different class of fluorescent ionic nitrogen-doped polycyclic aromatic hydrocarbons}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {APR }, pages = {4120-4130}, type = {Article}, abstract = {

An interesting case of external oxidant-controlled reactivity switch leading to a divergent set of ionic nitrogen-doped polycyclic aromatic hydrocarbons (N-doped PAHs), is presented here, which is quite unrecognized in copper-mediated reactions. In the current scenario, from the same pyridino-alkyne substrates, the use of the external oxidant Ph1(0Ac)2, in combination with Cu(OTf)(2), gave N-doped spiro-PAHs via a dearomative 1,2-carboamination process; whereas, without the use of oxidant, an alkyne/azadiene [4 + 2]-cycloaddition cascade occurred to exclusively afford ionic N-doped PAHs. These newly synthesized N-doped PAHs further exhibit tunable emissions, as well as excellent quantum efficiencies.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.9b00120}, author = {Shaikh, Aslam C. and Banerjee, Somsuvra and Mule, Ravindra D. and Bera, Saibal and Patil, Nitin T.} } @article {45501, title = {Facile production of mesoporous WO3-rGO hybrids for high-performance supercapacitor electrodes: an experimental and computational study}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {7}, year = {2019}, month = {JAN}, pages = {2350-2359}, type = {Article}, abstract = {

This work explored a promising supercapacitor electrode material (WO3-rGO hybrids) synthesized via a simplistic one-pot hydrothermal synthesis route. Various analytical studies (X-ray diffraction study, Raman spectroscopy, field emission scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, Brunauer-Emmett-Teller analysis) were employed in furtherance to explore the structural, morphological, compositional, and surface areal properties of the prepared materials. The enhancement in electrochemical supercapacitive properties were evaluated from pure hexagonal phase WO3 to the various hybrids, depending on the concentration of GO introduced into it, using cyclic voltammetry, galvanostatic charge/discharge, and electrochemical impedance spectroscopy. The WG-80 composite revealed the high rise in capacitance value of 801.6 F/g overcoming the individual capacitance of rGO (71.11 F/g) and WO3 (94.22 F/g) at a current density of 4 A/g with good cycling stability (75.7\%) over 5000 cycles. We have presented quantum capacitance from ab initio calculations and provided theoretical explanation from the orbital interactions.

}, keywords = {Density functional theory, Hydrothermal method, supercapacitor, WO3-rGO hybrids}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.8b05132}, author = {Samal, Rutuparna and Chakraborty, Brahmananda and Saxena, Manav and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {45595, title = {Facile tuning of Ag@AgCl cubical hollow nanoframes with efficient sunlight-driven photocatalytic activity}, journal = {Applied Surface Science}, volume = {465}, year = {2019}, month = {JAN}, pages = {413-419}, type = {Article}, abstract = {In this work, a facile controlled synthesis of plasmonic photocatalyst, Ag@AgCl hollow cubic cage with the tuning of nanoframe structures was reported. AgCl cubical hollow nanoframes were primarily prepared using sacrificial NaCl template protocol. Ion exchange reaction between Ag+ in the solution and NaCl, in presence of poly(vinylpyrrolidone) (PVP) led to continuous nucleation followed by growth of AgCl on the surface of sacrificial NaCl template. The tuning of AgCl nanoframe structures was obtained by changing the AgNO3 concentration in the reactions. Afterwards, ethylene glycol assisted reduction of AgCl, produced Ag@AgCl, the metal@semiconductor composite with the homogeneous distribution of Ag nanoparticles on the surface of the AgCl hollow nanoframes. Efficient sunlight-driven photocatalytic activity to degrade Methylene blue (MB) (50 mL; 10 mg/L) with these Ag@AgCl hollow frames was also demonstrated. The plasmonic photocatalysts were exhibited photodegradation rates about 0.098{\textendash}0.184 min-1 with high catalytic activity and recyclability for five cycles. Additionally, active species entrapping experiments were performed and a possible mechanism for the enhanced photocatalytic performance of the synthesized plasmonic photocatalyst was also proposed.}, doi = {10.1016/j.apsusc.2018.09.163}, author = {Hanmant Gaikwad S. and Koratti, A. and Porel, Mukherjee S.} } @article {45516, title = {Fe2P4O12-carbon composite as a highly stable electrode material for electrochemical capacitors}, journal = {New Journal of Chemistry}, volume = {43}, year = {2019}, month = {JAN}, pages = {399-406}, type = {Article}, abstract = {

Supercapacitors are important energy storage devices for high power applications. Carbon materials, metal oxides and conducting polymers have been known to show capacitive charge storage but transition metal phosphates are not as well-known as electrode materials in supercapacitors. In this study, an iron cyclotetraphosphate (Fe2P4O12)-carbon composite has been synthesized and demonstrated as an electrode material for supercapacitors. The Fe2P4O12-carbon composite has been thoroughly characterized by X-ray photoelectron spectroscopy, Raman spectroscopy, X-ray diffraction, electron microscopy, etc. The composite shows predominant capacitive behaviour only in acidic medium; its charge storage properties are relatively poor in alkaline medium, indicating the important role of H+ in the charge storage mechanism. The composite shows a capacitance of 251 F g(-1) at a current density of 1 A g(-1). The composite is highly stable in 0.5 M H2SO4 and does not show any apparent capacitance loss after 9000 charge-discharge cycles recorded at a current density of 5 A g(-1).

}, issn = {1144-0546}, doi = {10.1039/c8nj04671a}, author = {Soni, Roby and Kurungot, Sreekumar} } @article {46183, title = {Fiber optic Fabry-Perot interferometer sensor: an efficient and fast approach for ammonia gas sensing}, journal = {Journal of the Optical Society of America B-Optical Physics}, volume = {36}, year = {2019}, month = {MAR }, pages = {684-689}, type = {Article}, abstract = {

In this work, we propose and demonstrate a Fabry-Perot-interferometer-based polydimethylsiloxane (PDMS) and poly(methyl methacrylate) (PMMA)-composite-coated optical sensor for ammonia and volatile organic compounds (VOCs) detection at room temperature. The principle of sensing is based on change in the cavity length of the FP cavity in the presence of varied concentrations of gases, which results in changes in the total reflectance due to the shift in wavelength of an interference pattern. The sensing composite material was coated on a single-mode optical fiber by using a simple dip-coating technique and explored it for sensing. The ammonia and VOCs measurements were performed for concentrations ranging from 5 to 500 ppm. The corresponding sensitivity and limit of detection of the developed sensor for ammonia gas detection was observed of the order of around 4.16 pm/ppm and 4.8 ppm, respectively. The response and recovery times of the sensor were found to be of the order of 50 s and 10 s, respectively, for the ammonia gas. This sensor provides a simple, cost-effective, highly sensitive, and repeatable approach to measure ammonia gas and other VOCs at room temperature and could fulfill the demands of industrial applications. (C) 2019 Optical Society of America

}, issn = {0740-3224}, doi = {10.1364/JOSAB.36.000684}, author = {Kanawade, Rajesh and Kumar, Ajay and Pawar, Dnyandeo and Late, Dattatray and Mondal, Samir and Sinha, Ravindra K.} } @article {45475, title = {Flocculation of kaolin from aqueous suspension using low dosages of acrylamide-based cationic flocculants}, journal = {Journal of Applied Polymer Science}, volume = {136}, year = {2019}, month = {APR}, pages = {Article Number: 47286}, type = {Article}, abstract = {

Flocculation of kaolin from aqueous streams has become very important in view of its wide range of applications. In this work, cationic flocculants based on copolymers of acrylamide (AM) and 3-acrylamidopropyltrimethylammonium chloride (APTMAC) were synthesized with two different mole ratios of monomers, 80 mol \% of AM (CP-8020) and 40 mol \% of AM (CP-4060). The chemical structures of copolymers were confirmed by H-1 and carbon-13 nuclear magnetic resonance (C-13 NMR) spectroscopy. The molecular weight (MW) and zeta potential of the copolymers were determined. High MW was obtained for copolymer with high content of AM (CP-8020) and high zeta potential was observed for copolymer with high content of APTMAC (CP-4060). Flocculation of kaolin suspension was performed using both CP-8020 and CP-4060 and the flocculation was correlated to the zeta potential and MW of the copolymers. The optimum dosages of flocculants were determined. The mechanism of flocculation was discussed in terms of charge neutralization and bridging. The flocs of kaolin were characterized in terms of moisture content and size. To the best of our knowledge, this copolymer system was used for the first time for kaolin flocculation and found out to be efficient. (c) 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47286.

}, keywords = {copolymers, hydrophilic polymers, polyelectrolytes}, issn = {0021-8995}, doi = {10.1002/app.47286}, author = {Suresha, P. R. and Badiger, Manohar V.} } @article {45486, title = {Flow, mixing, and heat transfer in fluidic oscillators}, journal = {Canadian Journal of Chemical Engineering}, volume = {97}, year = {2019}, month = {FEB}, pages = {542-559}, type = {Article}, abstract = {

There is an increasing emphasis on process intensification and development of compact, intensified reactors and separators in recent years. Significant efforts are being made to develop such intensified reactors and separators without any moving parts. Some of the recent research studies have proven that a liquid-liquid extractor based on the Coanda effect and feedback oscillations exhibit excellent mixing and liquid-liquid contacting. These fluidic oscillators can potentially be used for a variety of other multiphase reactions and systems demanding enhanced mixing and heat and mass transfer. In this work, we have computationally investigated flow, mixing, and heat transfer in fluidic oscillators based on the Coanda effect. Available information on flow and mixing in fluidic oscillators was critically reviewed and key gaps in the available knowledge with respect to the design and optimization of fluidic oscillators were identified. Computational flow models were developed to characterize key flow features like unsteady flows, secondary vortices, and internal recirculation over a range of Reynolds number (Re = 90-1538) for three different oscillator designs. Systematic numerical studies were carried out to quantify different flow regimes, oscillations, and the influence of key geometric parameters on flow, mixing, and heat transfer. Simulated results were critically analyzed and are presented in the form of dimensionless numbers. The approach and results presented in this work will provide useful insights and a systematic basis for extending the applications of the Coanda-based feedback oscillatory devices for a wide range of engineering applications.

}, keywords = {CFD, Coanda effect, fluidic oscillators, heat transfer, mixing}, issn = {0008-4034}, doi = {10.1002/cjce.23377}, author = {Khalde, Chirag M. and Pandit, Ajinkya V. and Sangwai, Jitendra S. and Ranade, Vivek V.} } @article {46054, title = {Flower bud proteome reveals modulation of sex-biased proteins potentially associated with sex expression and modification in dioecious Coccinia grandis}, journal = {BMC Plant Biology}, volume = {19}, year = {2019}, month = {JUL}, pages = {330}, type = {Article}, abstract = {

BackgroundDioecy is an important sexual system wherein, male and female flowers are borne on separate unisexual plants. Knowledge of sex-related differences can enhance our understanding in molecular and developmental processes leading to unisexual flower development. Coccinia grandis is a dioecious species belonging to Cucurbitaceae, a family well-known for diverse sexual forms. Male and female plants have 22A+XY and 22A+XX chromosomes, respectively. Previously, we have reported a gynomonoecious form (22A+XX) of C. grandis bearing morphologically hermaphrodite flowers (GyM-H) and female flowers (GyM-F). Also, we have showed that foliar spray of AgNO3 on female plant induces morphologically hermaphrodite bud development (Ag-H) despite the absence of Y-chromosome.ResultsTo identify sex-related differences, total proteomes from male, female, GyM-H and Ag-H flower buds at early and middle stages of development were analysed by label-free proteomics. Protein search against the cucumber protein sequences (Phytozome) as well as in silico translated C. grandis flower bud transcriptome database, resulted in the identification of 2426 and 3385 proteins (FDR \<= 1\%), respectively. The latter database was chosen for further analysis as it led to the detection of higher number of proteins. Identified proteins were annotated using BLAST2GO pipeline. SWATH-MS-based comparative abundance analysis between Female_Early_vs_Male_Early, Ag_Early_vs_Female_Early, GyM-H_Middle_vs_Male_Middle and Ag_Middle_vs_ Male_Middle led to the identification of 650, 1108, 905 and 805 differentially expressed proteins, respectively, at fold change \>= 1.5 and P \<= 0.05. Ethylene biosynthesis-related candidates as highlighted in protein interaction network were upregulated in female buds compared to male buds. AgNO3 treatment on female plant induced proteins related to pollen development in Ag-H buds. Additionally, a few proteins governing pollen germination and tube growth were highly enriched in male buds compared to Ag-H and GyM-H buds.ConclusionOverall, current proteomic analysis provides insights in the identification of key proteins governing dioecy and unisexual flower development in cucurbitaceae, the second largest horticultural family in terms of economic importance. Also, our results suggest that the ethylene-mediated stamen inhibition might be conserved in dioecious C. grandis similar to its monoecious cucurbit relatives. Further, male-biased proteins associated with pollen germination and tube growth identified here can help in understanding pollen fertility.

}, keywords = {Coccinia grandis, Dioecy, Pollen fertility, proteomics, Sex modification, Stamen arrest}, issn = {1471-2229}, doi = {10.1186/s12870-019-1937-1}, author = {Devani, Ravi Suresh and Chirmade, Tejas and Sinha, Sangram and Bendahmane, Abdelhafid and Dholakia, Bhushan B. and Banerjee, Anjan Kumar and Banerjee, Jayeeta} } @article {47153, title = {Fluorescent carbon-dots thin film for fungal detection and bio-labeling applications}, journal = {ACS Applied Bio Materials}, volume = {2}, year = {2019}, month = {NOV}, pages = {5829{\textendash}5840}, type = {Article}, abstract = {

The fluorescence properties of CDs, such as high quantum yield, tunability of emission color, and so on, make a strong potential material in various fields. These applications are mainly derived from in situ formation of surface functional groups, high chemical stability, biocompatibility, and easy interaction with substrates, etc. Mostly, the research applications of CDs concentrate on the labeling of biological species, drug delivery, and sensing in consequent biomedical applications. However, the detection of the fungal species/spores present in the environment by using CDs is rarely reported. Herein, we demonstrate CDs-based thin film as a sensor for detection of fungal spores from the environment. The procedure of detection is based on fluorescence, observed in the film of carbon dots deposited on quartz plates by using the Blodgett technique. It is observed that the CDs film shows quenching in the fluorescence intensity by the substrate, namely, fungal spores{\textquoteright} (Aspergillus niger, Penicillium chrysogenum, Alternaria alternata). The effective features of the present detector system are easy fabrication, low cost, high stability, and a green and economical procedure of synthesis. The process of detecting fungal spores even at low concentration from the atmosphere is relatively fast when compared to presently used methods. Finally, real-world feasibility of the sensor film is tested by its successful application for the determination of the presence fungal spores in the environment. Furthermore, CDs have been also successfully applied for the bio-labeling of Staphylococcus aureus (Gram-positive) and Escherichia coli (Gram-negative) bacterial systems.

}, author = {Gaikwad, Aarti and Joshi, Meenal and Patil, Kashinath and Sathaye, Shivaram and Rode, Chandrashekhar V.} } @article {46424, title = {Formic-acid-induced using recyclable-ionic liquids as catalysts for lignin conversion into aromatic co-products}, journal = {Waste and Biomass Valorization}, year = {2019}, month = {NOV}, type = {Article; Early Access}, abstract = {

Lignin has been widely named as a sustainable and renewable bioresource of energy, fuels, chemicals and materials, particularly phenolic chemicals production on Earth. These bio-derived compounds are in great potential need of biorefinery to valorize complete plant biomass. Lignin depolymerization showed a great promise approach to convert into low molecular aromatic products. In this report, high molecular weight (54,000 Da) lignin depolymerization into maximum yields (87\%), (\>= 95 +/- 6\% mass balance) using a formic acid along with dual (-SO3H) functionalized imidazole-based recyclable (4 times) Bronsted acidic ionic liquids (BAILs) as catalysts have been investigated in H2O-CH3OH (1:5, v/v) at 120 degrees C for 1 h. The structural correlations between the lignin and aromatic products were studied by bulk (CHNS, GPC, etc.) and molecular (UV-Vis, FT-IR, NMR (1D/2D) levels experimental techniques. Additionally, the identification of aromatic products was carried out by applying HPLC, GC and GC-MS techniques. Graphic Addition of a formic acid into Bronsted acidic ionic liquids improved the catalytic efficiency significantly for lignin depolymerization into 87\% low molecular weight aromatic products. [GRAPHICS] .

}, keywords = {Bulk and molecular levels analysis, depolymerization, Dual functionalized ionic liquids, Formic acid, lignin}, issn = {1877-2641}, doi = {10.1007/s12649-019-00896-3}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {46331, title = {Francisella novicida Cas9 interrogates genomic DNA with very high specificity and can be used for mammalian genome editing}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {116}, year = {2019}, month = {OCT}, pages = {20959-20968}, type = {Article}, abstract = {

Genome editing using the CRISPR/Cas9 system has been used to make precise heritable changes in the DNA of organisms. Although the widely used Streptococcus pyogenes Cas9 (SpCas9) and its engineered variants have been efficiently harnessed for numerous gene-editing applications across different platforms, concerns remain regarding their putative off-targeting at multiple loci across the genome. Here we report that Francisella novicida Cas9 (FnCas9) shows a very high specificity of binding to its intended targets and negligible binding to off-target loci. The specificity is determined by its minimal binding affinity with DNA when mismatches to the target single-guide RNA (sgRNA) are present in the sgRNA:DNA heteroduplex. FnCas9 produces staggered cleavage, higher homology-directed repair rates, and very low nonspecific genome editing compared to SpCas9. We demonstrate FnCas9-mediated correction of the sickle cell mutation in patient-derived induced pluripotent stem cells and propose that it can be used for precise therapeutic genome editing for a wide variety of genetic disorders.

}, keywords = {CRISPR Cas9, gene therapy, Genome editing, iPSCs, sickle cell anemia}, issn = {0027-8424}, doi = {10.1073/pnas.1818461116}, author = {Acharya, Sundaram and Mishra, Arpit and Paul, Deepanjan and Ansari, Asgar Hussain and Azhar, Mohd and Kumar, Manoj and Rauthan, Riya and Sharma, Namrata and Aich, Meghali and Sinha, Dipanjali and Sharma, Saumya and Jain, Shivani and Ray, Arjun and Jain, Suman and Ramalingam, Sivaprakash and Maiti, Souvik and Chakraborty, Debojyoti} } @article {46215, title = { Freestanding borophene and Its hybrids }, journal = {Advanced Materials}, volume = {31}, year = {2019}, month = {JULY}, type = {Article}, abstract = {

Borophene, an elemental metallic Dirac material is predicted to have unprecedented mechanical and electronic character. Need of substrate and ultrahigh vacuum conditions for deposition of borophene restricts its large-scale applications and significantly hampers the advancement of research on borophene. Herein, a facile and large-scale synthesis of freestanding atomic sheets of borophene through a novel liquid-phase exfoliation and the reduction of borophene oxide is demonstrated. Electron microscopy confirms the presence of beta(12), X-3, and their intermediate phases of borophene; X-ray photoelectron spectroscopy, and scanning tunneling microscopy, corroborated with density functional theory band structure calculations, validate the phase purity and the metallic nature. Borophene with excellent anchoring capabilities is used for sensing of light, gas, molecules, and strain. Hybrids of borophene as well as that of reduced borophene oxide with other 2D materials are synthesized, and the predicted superior performance in energy storage is explored. The specific capacity of borophene oxide is observed to be approximate to 4941 mAh g(-1), which significantly exceeds that of existing 2D materials and their hybrids. These freestanding borophene materials and their hybrids will create a huge breakthrough in the field of 2D materials and could help to develop future generations of devices and emerging applications.

}, doi = { 10.1002/adma.201900353}, author = {Ranjan, Pranay and Sahu, Tumesh Kumar and Bhushan, Rebti and Yamijala, Sharma S. R. K. C. and Late, Dattatray J and Kumar, Prashant and Vinu, Ajayan} } @inbook {47467, title = {Functionalization of graphene - a critical overview of its improved physical, chemical and electrochemical properties}, booktitle = {Surface Engineering of Graphene}, year = {2019}, pages = {139-173}, publisher = {Springer}, organization = {Springer}, abstract = {Graphene, the 2D allotrope of carbon, is reported to be functionalized with a plethora of organic and inorganic species. This functionalization imparts significant improvement in the physical, chemical and electrochemical properties of graphene. The covalent and non-covalent functionalization of graphene with electron-rich organic moieties and heteroatoms is focused on different sections of this chapter. The focus is laid on the improvement in physical, chemical and electrochemical properties of graphene achieved through this functionalization. The enhancement in electrocatalytic activity of non-metal-doped graphene towards the oxygen reduction reaction, methanol oxidation reaction and photocatalysis is covered. Towards the end, the potential uses of functionalized graphene for selected applications like biosensors, fuel cells and dye-sensitized solar cells are also discussed.}, doi = {10.1007/978-3-030-30207-8_6}, author = {Singh, Ramesh Kumar and Nalajala, Naresh and Kar, Tathagata and Schechter, Alex} } @article {46229, title = {Glycation of glucose sensitive lysine residues K36, K438 and K549 of albumin is associated with prediabetes}, journal = {Journal of Proteomics}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

Prediabetes is a risk factor for the development of diabetes. Early diagnosis of prediabetes may prevent the onset and progression of diabetes and its associated complications. Therefore, this study aimed at the identification of novel markers for efficient prediction of prediabetes. In this pursuit, we have evaluated the ability of glycated peptides of albumin in predicting prediabetes. Glycated peptides of in vitro glycated albumin were characterized by data dependent acquisition and parallel reaction monitoring using LC-HRMS. Amongst 14 glycated peptides characterized in vitro, four peptides, particularly, FK(CML)DLGEENFK, K(AML)VPQVSTPTLVEVSR, K(CML)VPQVSTPTLVEVSR, and K(AML)QTALVELVK, corresponding to 3 glucose sensitive lysine residues K36, K438, and K549, respectively showed significantly higher abundance in prediabetes than control. Additionally, the abundance of three of these peptides, namely K(AML)QTALVELVK, K(CML)VPQVSTPTLVEVSR and FK(CML)DLGEENFK was \>1.8-fold in prediabetes, which was significantly higher than the differences observed for FBG, PPG, and HbA1c. Further, the four glycated peptides showed a significant correlation with FBG, PPG, HbA1c, triglycerides, VLDL, and HDL. This study supports that glycated peptides of glucose sensitive lysine residues K36, K438 and K549 of albumin could be potentially useful markers for prediction of prediabetes. SIGNIFICANCE: Undiagnosed prediabetes may lead to diabetes and associated complications. This study reports targeted quantification of four glycated peptides particulary FK(CML)DLGEENFK, K(AML)VPQVSTPTLVEVSR, K(CML)VPQVSTPTLVEVSR, and K(AML)QTALVELVK, corresponding to 3 glucose sensitive lysine residues K36, K438 and K549 respectively by parallel reaction monitoring in healthy and prediabetic subjects. These peptides showed significantly higher abundance in prediabetes than healthy subjects, and showed significant correlation with various clinical parameters including FBG, PPG, HbA1c, and altered lipid profile. Therefore, together these four peptides constitute a panel of markers that can be useful for prediction of prediabetes.

}, doi = {10.1016/j.jprot.2019.103481}, author = {Rathore, R. and Sonwane, B. P. and Jagadeeshaprasad, M. G. and Kahar, S. and Santhakumari, B. and Unnikrishnan, A. G. and Kulkarni, Mahesh J.} } @article {46048, title = {Glycerol acetylation considering competing dimerization}, journal = {International Journal of Chemical Kinetics}, volume = {51}, year = {2019}, month = {AUG}, pages = {634-640}, type = {Editorial Material}, abstract = {

Glycerol acetylation is a very interesting reaction for studies of consecutive kinetics. In this short communication, we present a pseudo-homogeneous model for the synthesis of triacetyl glycerol from the reaction of glycerol and acetic acid over strongly acidic Amberlyst-15 and Amberlyst-70 catalysts, considering a dimerization of diacetyl glycerol (DAG) into diglycerol tetraacetate as a parallel reaction and compare the results with a model without side reactions. The best fits were obtained for apparent zeroth-order dimerization and first-order consecutive reactions in the presence of acetic acid in excess and with removal of water. An adaptation was made for DAG. The proposed model shows that the formation of DAG is faster than the consumption of glycerol, which could be an explanation for the occurrence of DAG dimerization instead of other parallel reactions in acetylation.

}, keywords = {apparent kinetics, diacetyl glycerol dimerization, glycerol acetylation}, issn = {0538-8066}, doi = {10.1002/kin.21282}, author = {Soares, Andre V. -H. and Kale, Sumeet S. and Armbruster, Udo and Passos, Fabio B. and Umbarkar, Shubhangi B. and Dongare, Mohan K. and Martin, Andreas} } @article {46430, title = {Glycine-induced electrodeposition of nanostructured cobalt hydroxide: a bifunctional catalyst for overall water splitting}, journal = {ChemSusChem}, year = {2019}, month = {NOV}, type = {Article; Early Access}, abstract = {

Herein, an interconnected alpha-Co(OH)(2) structure with a network-like architecture was used as a bifunctional electrocatalyst for the overall water splitting reaction in alkaline medium. The complexing ability of glycine with a transition metal was exploited to form [Co(gly)(3)](-) dispersion at pH 10, which was used for the electrodeposition. High-resolution TEM, UV/Vis-diffuse reflectance spectroscopy, and X-ray photoelectron spectroscopy were used to confirm that the as-synthesized materials had an alpha-Co(OH)(2) phase. The electrocatalytic oxygen and hydrogen evolution activity of the glycine-coordinated alpha-Co(OH)(2) was found to be approximately 320 and 145 mV, respectively, at 10 mA cm(-2). The material required approximately 1.60 V (vs. reversible hydrogen electrode; RHE) to achieve the benchmark of 10 mA cm(-2) for overall water splitting with a mass activity of approximately 63.7 A g(-1) at 1.60 V (vs. RHE). The chronoamperometric response was measured to evidence the stability of the material for overall water splitting for up to 24 h. Characterization of the catalyst after the oxygen and hydrogen evolution reactions was performed by XPS and showed the presence of a Co-II/Co-III oxidation state.

}, keywords = {cobalt, Electrochemistry, heterogeneous catalysis, Hydrogen, water splitting}, issn = {1864-5631}, doi = {10.1002/cssc.201902323}, author = {Shilpa, Nagaraju and Nadeema, Ayasha and Kurungot, Sreekumar} } @article {45518, title = {Gold-catalyzed 1,2-oxyalkynylation of N-Allenamides with ethylnylbenziodoxolones}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {JAN}, pages = {180-184}, type = {Article}, abstract = {

A gold-catalyzed 1,2-oxyalkynylation of N-allenamides with ethylnylbenziodoxolones (EBXs) has been achieved for the first time. The reaction, which follows a redox-neutral Au(I)/Au(III) catalytic pathway, was enabled in an attempt to exhaust the EBX reagents atom-economically by putting the nucleophilic carboxylate part of EBXs to appropriate use. This constitutes the first example for gold-catalyzed beta-alkynylation of N-allenamides to construct highly valuable 1,3-enynes. The potential of the sequence is further documented by some follow-up transformations.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b03651}, author = {Banerjee, Somsuvra and Senthilkumar, Beeran and Patil, Nitin T.} } @article {45519, title = {Gold(I)-catalyzed hydroxy group assisted C(sp(2))-H alkylation of enaminones with diazo compounds to access 3-alkyl chromones}, journal = {Organic Letters}, volume = {21}, year = {2019}, month = {JAN }, pages = {335-339}, type = {Article}, abstract = {

A strategy for expedient synthesis of 3-substituted chromones from easily available o-hydroxyarylenaminones and diazo compounds has been developed. Carefully conducted experimental and computational studies led us to propose an uncommon mechanistic pathway involving the hydroxyl group assisted alkylation of enaminones with in situ generated gold carbenes.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b03989}, author = {Bagle, Pradip N. and Mane, Manoj V. and Sancheti, Shashank P. and Gade, Amol B. and Shaikh, Samir R. and Baik, Mu-Hyun and Patil, Nitin T.} } @article {46040, title = {Graphene nanosheets assisted carbon hollow cylinder for high-performance field emission applications}, journal = {Materials Research Express}, volume = {6}, year = {2019}, month = {SEP}, pages = {095066}, type = {Article}, abstract = {

Electron sources are critical constituents for myriad many electronic applications including electron imaging, mass spectroscopy etc. Here, we report the realization of high-performance field emission from graphene assisted carbon hollow cylinders (Gr-CHCs) composed of multi-stacked radially aligned CNTs. These CHCs have built-in synthesis related Fe nanoparticles (NPs). This engineered nano-structure exhibits excellent field emission properties such as one of the ultra-low turn-on field (0.64V mu m(-1) at 10 mu A cm(-2)), low threshold field (0.74V mu m(-1) at 100 mu A cm(-2)), very high current density (15.49 mA cm(-2) at 1.32V mu m(-1)) which is nearly double the current density obtained in our previous study. High field enhancement factor (0.72. x. 10(4)) with highly stable emission current at 100 mu A was observed for more than 3 hrs at the base pressure of similar to 1. x. 10(-8) mbar. This study suggests an approach to enhance the current density using the proposed innovative nanostructure and forms the basic theme of this communication. Highly efficient and stable field emissions observed are attributed to the geometry of cylinder and the production of the high density of sharp protrusions within the graphene sheets which enhance the local electric field and dramatically enhance field emission. This innovative cylindrical geometry associated with graphene assisted on Fe bearing aligned CNTs along with the periphery of the bulk cylinder provides an easy injection of electrons from the conduction band of CHCs into the vacuum in the presence of an external electric field. The tunability of field emission properties of these CHCs can be easily achieved by tailoring their diameter (10 and 20 mm) and different concentrations of the precursor. This new approach of the graphene assisted cylindrical geometry-based field emitter source provides enormous prospects and demand for next-generation high resolutions display devices.

}, keywords = {Carbon nanotubes, field emission, graphene assisted carbon hollow cylinder, protrusions}, issn = {2053-1591}, doi = {10.1088/2053-1591/ab3030}, author = {Tripathi, Prashant and Gupta, Bipin Kumar and Bankar, Prashant K. and More, Mahendra A. and Late, Dattatray J. and Srivastava, Onkar Nath} } @article {47171, title = {Graphene oxide supported liposomes as red emissive theranostics for phototriggered tissue visualization and tumor regression}, journal = {ACS Applied Bio Materials}, volume = {2}, year = {2019}, month = {JUL}, pages = {3312{\textendash}3320}, abstract = {

Selective tissue visualization and localized tumor regression without affecting the surrounding healthy tissues are critical concerns in cancer nanomedicine. Importantly, the complete wrapping of a flimsy matrix like liposome by multifunctional graphene oxide is an interesting engineering idea for nanomedicine design. Moreover, designing a safe and biodegradable nanohybrid with significant theranostic ability is a current need for targeted combined therapies. Here, we report a comprehensive result of in vivo tumor diagnosis and phototriggered tumor regression using a biodegradable red emissive nanotheranostic system, viz., graphene oxide flakes fortified liposome (GOF-Lipo), functionalized with folic acid (FA): GOF-Lipo-FA. Graphene oxide support enhances the stability of drug-loaded liposomes in an extracellular environment that prevents the premature release of loaded anticancer drug from the liposomal cavity. Promising outcomes of tumor regression (\~{}300 to 25 mm3) from organized cellular and animal studies are demonstrated in this work. These studies reveal superior biocompatibility, deep intracellular localization, 4T1 breast tumor diagnosis, and long time tumor binding ability of an injected emissive nanohybrid. Overall, a single dose of designed multifunctional systems demonstrates the best tumor regression.

}, doi = {10.1021/acsabm.9b00335}, author = {Prasad, Rajendra and Yadav, Amit S. and Gorain, Mahadeo and Chauhan, Deepak S. and Kundu, Gopal C. and Srivastava, Rohit and Selvaraj, Kaliaperumal} } @article {46179, title = {Graphene-modified electrodes for sensing doxorubicin hydrochloride in human plasma}, journal = {Analytical and Bioanalytical Chemistry}, volume = {411}, year = {2019}, month = {MAR}, pages = {1509-1516}, type = {Article}, abstract = {

Doxorubicin (DOX), an anthracycline molecule, is currently one of the most widely used anticancer drugs in clinics. Systematic treatment of patients with DOX is known to be accompanied by several unpleasant side effects due to the toxicity of the drug. Thus, monitoring of DOX concentration in serum samples has become increasingly important to avoid side effects and ensure therapeutic efficiency. In this study, we discuss the construction of a disposable electrochemical sensor for the direct monitoring of DOX in clinical blood samples. The sensor is based on coating a gold electrode in a flexible integrated electrode construct formed on polyimide sheets using photolithography, with nitrogen-doped reduced graphene oxide (N-rGO) suspended in chitosan. Under optimized conditions, a linear relationship between the oxidative peak current and the concentration of DOX in the range of 0.010-15M with a detection limit of 10nM could be achieved. The sensor was adapted to monitor DOX in serum samples of patients under anticancer treatment.

}, keywords = {Disposable electrodes, doxorubicin, Nitrogen-doped reduced graphene oxide, Serum}, issn = {1618-2642}, doi = {10.1007/s00216-019-01611-w}, author = {Chekin, Fereshteh and Myshin, Vladyslav and Ye, Ran and Melinte, Sorin and Singh, Santosh K. and Kurungot, Sreekumar and Boukherroub, Rabah and Szunerits, Sabine} } @article {46285, title = {Hepatoprotective cocrystals of isoniazid: synthesis, solid state characterization, and hepatotoxicity studies}, journal = {Crystal Growth \& Design}, volume = {19}, year = {2019}, month = {SEP}, pages = {5161-5172}, type = {Article}, abstract = {

Isoniazid (INH) is one of the first line drugs used in combination with pyrazinamide and rifampicin for the management of tuberculosis. Idiosyncratic hepatotoxicity is one of the most common side effects of antitubercular therapy worldwide. The current study explores solid phase modification of INH by cocrystallization with various hepatoprotective coformers, namely chrysin, hesperetin, silibinin, syringic acid (SYRA), and quercetin (QUE) to address hepatotoxicity concerns. Cocrystals were obtained with SYRA and QUE. Supramolecular synthons based on pyridine-carboxyl and pyridine-hydroxyl synthon enabled the formation of cocrystals. INHSYRA and INHQUE cocrystals were characterized by FT-IR, DSC, and PXRD. Single crystal X-ray analysis of INHSYRA revealed that it crystallized in triclinic system with the P (1) over bar space group. Intrinsic dissolution rate studies (IDR) showed slow drug release from both the cocrystals. Hepatoprotective effects of INHSYRA and INHQUE cocrystals were evaluated by a single toxic dose study and a subchronic study for 28 days. Results from the subchronic study indicated significant increase in ALT, AST, and ALP enzyme levels in the INH-treated group whereas the enzyme levels in INHSYRA and INHQUE cocrystal treated group were comparable to that of the untreated group. This study demonstrates the in vivo hepatoprotective effects of coformers SYRA and QUE provide promising evidence for utility of nutraceutical based coformers, to tackle hepatotoxicity associated with various drugs.

}, doi = {10.1021/acs.cgd.9b00541}, author = {Yadav, Balvant and Gunnam, Anilkumar and Thipparaboina, Rajesh and Nangia, Ashwini K. and Shastri, Nalini R.} } @article {46284, title = {High content screening assay for identifying inhibitors against active and dormant state intracellular Mycobacterium tuberculosis}, journal = {Journal of Microbiological Methods}, volume = {164}, year = {2019}, month = {SEP}, type = {Article}, abstract = {

The antitubercular drug development pipeline could start with an in vitro investigation of several compounds to examine their effect on active and dormant state Mycobacterium tuberculosis (Mtb). However, in vitro screening of dormant state bacilli cannot provide enough information on the simultaneous effect of a compound on the host. Therefore, we developed a live cell fluorescence based screening protocol by utilizing the high content system for determining the effect of inhibitors against active and dormant state intracellular mycobacteria. THP-1 macrophages infected with an actively growing and hypoxia derived dormant Mtb culture were standardized to develop the screening protocol. The signal to noise ratio and the Z{\textquoteright} factor of this assay were found to be 7.5-29 and 0.6-0.8, respectively, which confirm the robustness of the protocol. The protocol was then validated with standard inhibitors. This newly developed drug screening assay offers an easy, safe, image based high content screening tool to search for novel antitubercular inhibitors against both active and dormant state intracellular mycobacteria. Therefore, this assay could fill in the gap between in vitro and in vivo latent tuberculosis drug screening programs.

}, doi = {10.1016/j.mimet.2019.105687}, author = {Yeware, Amar and Agrawal, Sonia and Sarkar, Dhiman} } @article {46101, title = {High-energy flexible supercapacitor-synergistic effects of polyhydroquinone and RuO2 center dot xH(2)O with microsized, few-layered, self-supportive exfoliated-graphite sheets}, journal = {ACS Applied Materials \& Interfaces}, volume = {11}, year = {2019}, month = {MAY }, pages = {18349-18360}, type = {Article}, abstract = {

An effective and straightforward route for tailoring the self-supporting, exfoliated flexible graphite substrate (E-FGS) using electrochemical anodization is proposed. E-FGS has essential features of highly exfoliated, few-layered, two-dimensional graphite sheets with the size of several tens of micrometers, interconnected along the axis of the substrate surface. The novel hierarchical porous structural morphology of E-FGS enables large active sites for efficient electrolyte ion and charge transport when used as electrode material for a supercapacitor. In order to effectively utilize this promising E-FGS electrode for energy storage purpose, a ternary composite is further synthesized with pseudocapacitive polyhydroquinone (PHQ) and hydrous RuO2 (hRO). hRO is synthesized via a sol-gel route, while electropolymerization is utilized for the electrodeposition of PHQ over E-FGS. Ultimately, the fabricated self-supporting E-FGS-based flexible supercapacitor is capable of delivering areal specific capacitance values as high as 378 mF cm(-2) at a current density of 1 mA cm(-2). Addition of the pseudocapacitive component to the E-FGS texture leads to similar to 10 times increase of the electrochemical charge storage capability. The imposition of mechanical forces to this flexible supercapacitor device results in trivial changes in electrochemical properties and is still capable of retaining 91\% of the initial specific capacitance after 10 000 cycles. Alongside, the fabricated symmetrical solid-state flexible device exhibited a high energy density of 8.4 mu Wh cm(-2). The excellent performance along with the ease of synthesis and fabrication process of the flexible solid-state supercapacitor device using PHQ/hRO/E-FGS holds promise for large-scale production.

}, keywords = {graphite exfoliation, polyhydroquinone, ruthenium oxide, solid-state flexible supercapacitor, Ternary Composite}, issn = {1944-8244}, doi = {10.1021/acsami.9b01712}, author = {Muniraj, Vedi Kuyil Azhagan and Dwivedi, Pravin Kumari and Tamhane, Parikshit Shivaji and Szunerits, Sabine and Boukherroub, Rabah and Shelke, Manjusha Vilas} } @article {47177, title = {Highly flexible mechanical energy harvester based on nylon 11 ferroelectric nanocomposites}, journal = {ACS Applied Polymer Materials}, volume = {1}, year = {2019}, month = {JUL}, pages = {1998{\textendash}2005}, type = {Article}, abstract = {

We report here a flexible piezoelectric energy harvester using castor-oil-derived nylon 11 and biomass-derived cellulose nanocrystals (CNC). Using a simple solution casting process, we were able to fabricate flexible large area nylon 11 and composite films. Neat nylon 11 films crystallized predominantly in the α- phase. Incorporation of CNC at a low concentration of 2{\textendash}5 wt \% resulted in almost complete transition of α-phase to polar γ-phase, which could be attributed to strong hydrogen bonding interactions between CNC and amide groups in nylon 11. This remarkable shift in crystallization behavior also led to enhanced piezoelectric performance. We also found that the addition of 5 wt \% glycerol (on the dry weight of nylon 11 or composite) enhanced the flexibility of the film. Energy harvesting devices made from 5 wt \% nylon 11/CNC films showed about 2.6 times higher output voltage as compared to neat nylon 11 devices under similar impact conditions, and the effect was durable over 800 cycles. These devices were also used to charge a 10 μF polarized capacitor, and we found that the 5 wt \% nylon 11/CNC devices charged up to 3.78 V in 90 s, which is 2.8 times higher than nylon 11 devices. To the best of our knowledge, this is the first report on nylon 11 nanocomposites, where cellulose nanocrystals have been used to enhance the electroactive γ phase in nylon 11 and yield such high piezoelectric performance.

}, author = {Ram, Farsa and Radhakrishnan, Sithara and Ambone, Tushar and Shanmuganathan, Kadhiravan} } @article {45622, title = {Highly frustrated liquid crystal phases in optically active dimers: synthesis and rich phase transitional behavior}, journal = {New Journal of Chemistry}, volume = {43}, year = {2019}, month = {JAN}, pages = {2148-2162 }, type = {Article}, abstract = {Herein we report on the synthesis and characterization of four new series of optically active, nonsymmetric dimers in which cholesterol is covalently linked to a Schiff base core through an ω-oxyalkanoyl spacer. While the Schiff base core is substituted with n-butyloxy, n-hexyloxy, n-octyloxy, n-decyloxy and n-dodecyloxy tails, three even-parity spacers, namely, 4-oxybutanoyl, 6-oxyhexanoyl, 8-oxyoctanoyl, and an odd-parity spacer, namely, 5-oxypentanoyl, have been used to join the two cores. The experimental results show that the length and parity of the spacer and the length of the terminal tail play a vital role in deciding the phase sequences of the dimers. In general, the dimers possessing an even-parity spacer display enantiotropic LC phases such as chiral nematic (N*), twist grain boundary (TGB), smectic A (SmA), chiral smectic C (SmC*) and twist grain boundary phase with SmC* slabs (TGBC*). Some of these dimers display TGBC* over a wide temperature range. The dimers with an odd-parity (5-oxypentanoyl) spacer display, unlike their even-membered counterparts, blue phases (BPIII/II/I); besides, they stabilize N* and/or unknown smectic (SmX) phases. The circular dichroism (CD) measurements were carried out as a function of temperature on the planar texture formed by three even-membered dimers and an odd-membered dimer. The occurrence of a strong negative CD band in the N* phase of the even-membered dimers suggests a left-handed screw sense of the macroscopic helical structure, and the scenario is opposite in the case of an odd-membered dimer.}, doi = {10.1039/C8NJ03520B}, author = {Nayak, R. A. and Bhat, S. A. and Shanker, G. and Rao, D. S. S. and Yelamaggad, C. V.} } @article {46441, title = {Hydrocarbon chain-length dependence of solvation dynamics in alcohol-based deep eutectic solvents: a two-dimensional infrared spectroscopic investigation}, journal = {Journal of Physical Chemistry B}, volume = {123}, year = {2019}, month = {NOV}, pages = {9355-9363}, type = {Article}, abstract = {

Deep eutectic solvents (DESs) have gained popularity in recent years as an environmentally benign, inexpensive alternative to organic solvents for diverse applications in chemistry and biology. Among them, alcohol-based DESs serve as useful media in various applications due to their significantly low viscosity as compared to other DESs. Despite their importance as media, little is known how their solvation dynamics change as a function of the hydrocarbon chain length of the alcohol constituent. In order to obtain insights into the chain-length dependence of the solvation dynamics, we have performed two-dimensional infrared spectroscopy on three alcohol-based DESs by systematically varying the hydrocarbon chain length. The results reveal that the solvent dynamics slows down monotonically with an increase in the chain length. This increase in the dynamic timescales also shows a strong correlation with the concomitant increase in the viscosity of DESs. In addition, we have performed molecular dynamics simulations to compare with the experimental results, thereby testing the capacity of simulations to determine the amplitudes and timescales of the structural fluctuations on fast timescales under thermal equilibrium conditions.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.9b08954}, author = {Chatterjee, Srijan and Ghosh, Deborin and Haldar, Tapas and Deb, Pranab and Sakpal, Sushil S. and Deshmukh, Samadhan H. and Kashid, Somnath M. and Bagchi, Sayan} } @article {46414, title = {Hydrodynamics and selectivity engineering of a multipoint dosing flow reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {58}, year = {2019}, month = {DEC}, pages = {22874}, type = {Article}, chapter = {22866}, abstract = {

This paper reports the suitability of a multipoint injection continuous flow reactor for carrying out a sequential reaction, while taking into account the associated hydrodynamics of such systems. Pressure drop was measured for different fluid injection patterns, viz., equal fluid dosing, decreasing dosing, and increasing dosing flow rates from the first to the last inlet. Moreover, residence time distribution was also explored. The data were compared with a conventional single-point injection. The extent of dispersion was found to be higher in the decreasing dosing profile compared to equally distributed dosing. Taking into account of these features, the suitability of such a reactor system for competitive-consecutive homogeneous nitration reaction was evaluated. The analysis was done on the basis of the Damkohler number (Da) for mixing and reaction. The rate-controlling phenomena were used to simulate the performance of the reactor for a range of a number of inlets, the mole ratio of reactants, and relative values of Da. The observations indicate that the multipoint injection is not beneficial for mixing controlled reactions. However, for reactions in the transient regime (i.e., 0.001 \< t(m)/t(R) \< 1000), it gives higher selectivity of the desired product.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.9b04431}, author = {Shukla, Chinmay A. and Pal, Sayan and Kulkarni, Amol A.} } @article {46004, title = {Hydrothermal growth and humidity-dependent electrical properties of molybdenum disulphide nanosheets}, journal = {Journal of Nanoscience and Nanotechnology}, volume = {19}, year = {2019}, month = {AUG}, pages = {5158-5166}, type = {Article}, abstract = {

In present investigation, we report humidity dependent electrical properties of molybdenum disulphide (MoS2) nanosheets. MoS2 nanosheets were prepared through a facile hydrothermal method with different reaction temperatures. The as-synthesized MoS2 nanosheets were characterized with XRD, SEM, TEM, and Raman spectroscopy, which confirmed successful preparation and rationality. Further, the humidity dependent electrical properties against relative humidity (RH) of these samples were carried out at room temperature. The results evinced that the sensors film fabricated with MoS2 nanosheets prepared at temperature 220 degrees C exhibited better performance compared to the nanosheets synthesized at 180 degrees C and 200 degrees C temperature. The RH sensing results exhibits highly sensitive, ultrafast response/recovery behaviour and outstanding repeatability than reported earlier. The excellent humidity sensing properties of the resultant MoS2 nanosheets was proved to be an excellent candidate for constructing ultrahigh-performance humidity sensor toward various applications.

}, keywords = {Humidity sensors, Hydrothermal method, Molybdenum Disulphide, nanosheets}, issn = {1533-4880}, doi = {10.1166/jnn.2019.16828}, author = {Shelke, Nitin T. and Karle, S. C. and Karche, B. R.} } @article {46247, title = { Hydrothermal growth of MoSe2 nanoflowers for photo- and humidity sensor applications}, journal = {Sensors and Actuators A-Physical}, volume = {295}, year = {2019}, month = {AUG}, pages = {160-168}, type = {Article}, abstract = {

In the present investigation, we report the synthesis of molybdenum diselenide (MoSe2) nanoflowers by facile hydrothermal method for photo- and humidity sensor applications. The obtained samples were characterized thoroughly by x-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), and transmission electron microscopy (TEM). The XRD spectrum shows crystalline nature of the sample. Raman spectroscopy shows two prominent vibration modes of E-2 (g)1 and A(1g) at (2) over tilde 41 and (2) over tilde 83 cm(-1) respectively. The crystalline nature of the sample confirmed with the TEM. The MoSe2 nanoflowers based sensor shows high photosensitivity and good response to humidity with excellent prolong stability. The maximum photoresponsitivity of (1) over tilde 94\% along with response of (4) over tilde0 ms and recovery time of (4) over tilde8 ms were observed for the sample. In case of humidity sensor, response time of (5) over tilde3 s and recovery time of (1) over tilde3 s with maximum sensitivity -74\% were observed under humidity environments. It suggests that, MoSe2 nanoflowers appear as a potential candidate for constructing high-performance nanoelectronics devices. (C) 2019 Elsevier B.V. All rights reserved.

}, doi = {10.1016/j.sna.2019.05.045}, author = {Shelke, Nitin T. and Late, Dattatray J.} } @article {46226, title = {Immobilization studies of Candida Antarctica lipase B on gallic acid resin-grafted magnetic iron oxide nanoparticles}, journal = {International Journal of nanomedicine}, volume = {14}, year = {2019}, month = {MAY}, pages = {3235-3244}, type = {Article}, abstract = {

Purpose: Here, we present the successful preparation of a highly efficient gallic acid resin grafted with magnetic nanoparticles (MNPs) and containing a branched brush polymeric shell.

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

Conclusion: Furthermore, during optimization of parameters that defined conditions of immobilization, we found that the optimum immobilization was achieved in 15 mins Also, optimal immobilization temperature and pH were 38 degrees C and 7.5, respectively. In addition, the reusability study of immobilized lipase polymer-grafted MNPs was done by isolating the MNPs from the reaction medium using magnetic separation, which showed that grafted MNPs reached 5 cycles with 91\% activity retention.

}, doi = {10.2147/IJN.S203547}, author = {SreeHarsha, Nagaraja and Ghorpade, Ravindra, V. and Alzahrani, Abdullah Mossa and Al-Dhubiab, Bandar E. and Venugopala, Katharigatta N.} } @article {46068, title = {Impact of plasticizer addition on molecular properties of polybutadiene rubber and its manifestations to glass transition temperature}, journal = {Macromolecular Theory and Simulations}, volume = {28}, year = {2019}, month = {JUL}, pages = {1900003}, type = {Article}, abstract = {

Effect of blending low and high T-g polymer on the structural, spatial, and temporal properties of the polybutadiene rubber are investigated using molecular dynamics simulations. It is elucidated that smaller chain length counterpart of polybutadiene (5mer-OB) acts as plasticizer for the polybutadiene rubber matrix (32mer-PB). Observed flexibility at macroscopic level by plasticizer addition is corroborated at the molecular level in the form of lower conformational rigidity and faster diffusion of polybutadiene chains in the mixtures. It is inferred that plasticizers decreases T-g of the matrix, due to cooperative influence of decreased chain packing and rigidity. Opposite effect is observed in mixtures with high T-g polymer, polystyrene. T-g of the mixtures showed substantial dependence on the type, concentration, chain length as well as miscibility of plasticizers in the matrix. However, the effect of increasing chain length is more pronounced but counter-controlled by the spatially heterogeneous distribution of the plasticizer. Clustering of polystyrene chains induced significant dynamic heterogeneity in the homogeneous polybutadiene matrix, which apparently lead to reduced plasticization effect. Addition of plasticizers in rubber induce discernible changes in the structural and dynamic properties of the rubber matrix, which manifest as the variation in glass transition and explains the real-life activity of plasticizers.

}, keywords = {Glass transition temperature, MD Simulation, plasticizer action, polybutadiene rubber, Polystyrene, spatial and dynamic heterogeneity}, issn = {1022-1344}, doi = {10.1002/mats.201900003}, author = {Sharma, Pragati and Roy, Sudip and Karimi-Varzaneh, Hossein Ali} } @conference {47488, title = {Impedance analysis and equivalent circuit modelling of cells subjected to sinusoidal vibration test using electrochemical impedance spectroscopy}, booktitle = { 2019 IEEE Transportation Electrification Conference (ITEC-India)}, year = {2019}, month = {DEC}, publisher = {IEEE}, organization = {IEEE}, address = {Bengaluru, India}, abstract = {Electrochemical impedance spectroscopy is a multipurpose and non-destructive characterization technique in the analysis of electrochemical power sources such as Li-ion cells. The nyquist curve obtained by EIS spectrum of the cell gives information about its overall health. Curve fitting of the EIS nyquist plots further helps in determining the Equivalent Circuit Model (ECM) for a particular cell. In this paper commercial Li-ion cells from three different chemistries; Lithium Nickel Manganese Cobalt Oxide (NMC), Lithium Cobalt Oxide (LCO) and Lithium Iron Phosphate (LFP) are subjected to sinusoidal vibration test as per testing standard mentioned in United States Advanced Battery Consortium (USABC). The EIS measurement of the test cells have been carried out before and after the vibration tests. Curve fitting is carried out on the EIS plots and ECM for the cells is obtained. The components present in ECM and their actual values are estimated from the curve fitting analysis. The magnitude of various resistances like equivalent series resistance (R s ), charge transfer resistance (R ct ) and solid electrolyte interphase resistance (R sei ) is evaluated. This technique is also used in determining the capacitances inside the cell, mainly capacitance (C sei ) due to Solid Electrolyte Interphase layer (SEI) and capacitance due to double layer (C dl ) formation at electrode surface. The resistance in the cell is found to be increased and the capacitances values are decreased after vibration test. Bode plot for the cells are analysed and the overall change in the impedance of cell due to the vibration test is investigated as well. Scanning electron microscopy technique is used on cell electrodes, after vibration test, to validate the actual damage that took place within the cell. The study reveals that the EIS can be used as a non-destructive tool to check cell health after mechanical abuse.}, doi = {10.1109/ITEC-India48457.2019.ITECINDIA2019-232}, author = {Bangal, Ojas A. and Chaturvedi, Vikash and Babu, P. K. Ajeet and Shelke, Manjusha V.} } @article {45537, title = {Improved efficiency of DSSC using combustion synthesized TiO2}, journal = {Materials Research Bulletin}, volume = {109}, year = {2019}, month = {JAN}, pages = {222-226}, type = {Article}, abstract = {

Combustion synthesis method is an economic, one step and an effective method for the synthesis of nanomaterials. In this work, titanium dioxide nanoparticles were synthesized by combustion method. The synthesized material was characterized by XRD, SEM and BET. Dye sensitized solar cell was fabricated using the synthesized material and its performance was compared with the solar cell fabricated using commercial TiO2. In order to evaluate the photovoltaic performance of DSSCs, photocurrent density to photovoltage (J-V) characteristic and electrochemical impedance spectroscopy (EIS) measurements were carried out. The DSSC fabricated using combustion synthesized and commercial TiO2 exhibited a power conversion efficiency of 6.11\% and 6.62\%, respectively. Combustion synthesized TiO2 which displayed similar efficiency to that of commercial material is least studied in the literature for solar cell applications.

}, keywords = {Combustion synthesis, Dye sensitized solar cell, TiO2}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2018.09.044}, author = {Umale, Sanjivani and Sudhakar, V. and Sontakke, Sharad M. and Krishnamoorthy, K. and Pandit, Aniruddha B.} } @article {46181, title = {In situ study of radiation stability and associated conduction mechanisms of Nb-Doped TiO2/p-Si heterojunction diode under swift heavy ion irradiation}, journal = {IEEE Transactions on Electron Devices}, volume = {66}, year = {2019}, month = {MAR}, pages = {1475-1481}, type = {Article}, abstract = {

In situ current-voltage characteristics of Nb-doped TiO2/p-Si-based heterojunction diode have been studied under dense electronic excitations of 84-MeV Si6+ ions. The diode parameters such as ideality factor (eta), barrier height (phi(B)), reverse saturation current (J(s)), and series resistance (R-s) are found to be a strong function of ion irradiation fluence. The observed anomalies of fluence dependence of barrier height and ideality factor are explained in terms of irradiation-induced created defects complexes, modification of interface states and structural properties of Nbdoped-TiO2 (NTO) layer. Several mechanisms suchas barrier height inhomogeneity, donor defects-induced enchantment in n-NTO layer conductivity, and various current conduction mechanisms involved at different voltage ranges are discussed as a function of fluence with the help of constructed energy band diagram. Such in situ studies on n-NTO/p-Si heterojunction diode under radiation harsh environment are very appropriate for the better understanding of heterojunction interface properties and make it suitable for use in aerospace industry and nuclear reactors.

}, keywords = {Barrier height tuning, n-NTO/p-Si heterojunction, radiation stability of devices, secondary electron irradiation, space-charge limited current}, issn = {0018-9383}, doi = {10.1109/TED.2019.2893886}, author = {Gautam, Subodh Kumar and Singh, Jitendra and Singh, Ram Gopal and Gautam, Naina and Trivedi, Priyanka and Singh, Fouran} } @article {46291, title = {In vitro and in silico studies on membrane interactions of diverse Capsicum annuum flower gamma-thionin peptides}, journal = {Proteins-Structure Function and Bioinformatics}, year = {2019}, month = {AUG}, type = {Article; Early Access}, abstract = {

Thionins are small, cysteine-rich peptides that play an important role in plant defense, primarily through their interactions with membranes. Eight novel gamma-thionin peptides (CanThio1-8) were isolated from the flower of Capsicum annuum. Sequence analysis revealed that the peptides cluster into three groups. A representative peptide from each group (CanThio1, 2, and 3) was used for experimental characterization. Interestingly, peptides were found to possess some cytotoxic activity against normal human embryonic kidney cell line but higher cytotoxicity against cancer cell line MCF-7. CanThio3 peptide was chosen as a representative peptide to study the molecular mechanism of action on membranes. Microsecond timescale atomistic simulations of CanThio3 were performed in the presence of a POPC (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine) lipid bilayer. Simulations revealed that CanThio3 interacts with the bilayer and causes lipid thinning in the vicinity. Nonpolar amino acids specific to the alpha-core region of CanThio3 along with nonpolar residues in the gamma-core region are seen to interact with the lipid tails. The differences in the amino acid sequence of CanThio peptides in these regions explain the variability in cytotoxic activities. In summary, our results demonstrate the membrane-mediated activity of a novel series of gamma-thionin peptides from C. annuum.

}, keywords = {Capsicum annuum, Cytotoxicity, gamma-thionin, MD simulations, Membrane}, issn = {0887-3585}, doi = {10.1002/prot.25791}, author = {Nikte, Siddhanta and Gahankari, Apurva and Mulla, Javed and Sengupta, Durba and Joshi, Manali and Tamhane, Vaijayanti} } @article {46235, title = { Influence of crowding and surfaces on protein amyloidogenesis: A thermo-kinetic perspective }, journal = {Biochimica ET Biophysica Acta-Proteins and Proteomics}, volume = {1867}, year = {2019}, month = {OCT}, pages = {941-953}, type = {Article}, abstract = {

The last few decades have irreversibly implicated protein self-assembly and aggregation leading to amyloid fibril formation in proteopathies that include several neurodegenerative diseases. Emerging studies recognize the importance of eliciting the pathways leading to protein aggregation in the context of the crowded intracellular environment rather than in conventional in vitro conditions. It is found that crowded environments can have acceleratory as well as inhibitory effects on protein aggregation, depending on the interplay of underlying factors on the crucial rate limiting steps. The aggregation mechanism and transient species formed along the pathway are further altered when they interface with natural and artificial surfaces in the cellular milieu. An increasing number of studies probe the autocatalytic nature of amyloid surfaces as well as membrane bilayer effects on amyloidogenesis. Moreover, exposure to modern nanosurfaces via nanomedicines and other sources potentially invokes beneficial or deleterious biological response that needs rigorous investigation. Mounting evidences indicate that nanoparticles can either promote or impede amyloid aggregation, spurring efforts to tune their interactions for developing effective anti-amyloid strategies. Mechanistic insights into nanoparticle mediated aggregation pathways are therefore crucial for engineering anti-amyloid nanoparticle strategies that are biocompatible and sustainable. This review is a compilation of studies that contribute to the current understanding of the altering effects of molecular crowding as well as natural and artificial surfaces on protein amyloidogenesis.

}, doi = {10.1016/j.bbapap.2019.03.009}, author = {Menon, Sneha and Sengupta, Neelanjana} } @article {45552, title = {Influence of nanocellulose on mechanics and morphology of polyvinyl alcohol xerogels}, journal = {Journal of the Mechanical Behavior of Biomedical Materials}, volume = {90}, year = {2019}, month = {FEB}, pages = {275-283}, type = {Article}, abstract = {

Xerogels are porous networks of crosslinked polymers that are useful for biomedical applications such as drug delivery, scaffold engineering, tissue regeneration, cell culture and wound dressing. However, inferior mechanical properties curtail their applications to a considerable extent. Nanocellulose fibers and crystals are often added into the polymer matrix to improve their mechanical strength. Here, nanocellulose in the mass ratios of 7\%, 13\% and 18\% are loaded into polyvinyl alcohol (PVA) matrix followed by thermo-morpho-mechanical characterization. With increase in nanocellulose content, thermal degradation occurs at a lower temperature. It is observed that addition of higher quantity of nanocellulose crystals leads to the formation of weak cellulose rich regions causing xerogel rupture. This is predominantly observed for xerogel loaded with 18\% nanocellulose crystals. Similarly, addition of higher quantity of nanocellulose fibers increase brittleness of the xerogels causing fracture. This is predominantly observed for xerogel loaded with 18\% nanocellulose fibers. Creep strain and stress relaxation is observed to decrease with addition of nanocellulose loading owing to molecular chain restriction and polymer chain immobility.

}, keywords = {Mechanics, Morphology, Nanocellulose, Xerogels}, issn = {1751-6161}, doi = {10.1016/j.jmbbm.2018.10.024}, author = {Pramanik, R. and Ganivada, B. and Ram, Farsa and Shanmuganathan, Kadhiravan and Arockiarajan, A.} } @article {45594, title = {Insect-repellent and mosquitocidal effects of noreremophilane- and nardoaristolone-based compounds}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {2188{\textendash}2195}, type = {Article}, abstract = {

Here, we disclose novel mosquito-repellent synthetic hydrindanes based on noreremophilanes and nardoaristolone B which show increased activity against adult females of Aedes aegypti. The noreremophilanes and nardoaristolone B with hydrindane skeleton are structurally related to nootkatone with decalin skeleton, a well-studied natural product extracted from a grape fruit. Out of our library of compounds synthesized based on the noreremophilanes and nardoaristolone B scaffolds, NDS-100598 (compound 20) exhibits higher repellent and knock-down effects at a very low concentration (0.25 mg/cm2), while a few analogues showed considerably enhanced activity compared to racemic nootkatone. This is the first report documenting insect-repellent and knock-down activity of the noreremophilanes class of compounds.

}, doi = {10.1021/acsomega.8b03652}, author = {Handore, K. L. and Kalmode, H. P. and Sayyad, S. and Seetharamsingh, B. and Gathalkar, G. and Padole, S. and Pawar, P. V. and Joseph, M. and Sen, A. and Reddy, D. S.} } @article {46222, title = { Intermolecular acyl-transfer reactions in molecular crystals }, journal = {Accounts of Chemical Research}, volume = {52}, year = {2019}, month = {FEB}, pages = {437-446}, type = {Article}, abstract = {

CONSPECTUS: It is far more difficult to recognize and predict the chemical reactions that a molecule of an organic compound can undergo in crystalline (solid) state as compared to the solution state (the "organic functional group" approach), since the published data on solid-state structure reactivity investigations and correlations are scant. The discovery of the first intermolecular acyl-transfer reaction in molecular crystals of racemic 2,4-di-O-benzoyl-myo-inositol-1,3,5-orthoformate (DiBz) during our attempts to develop methods for the synthesis of phosphoinositols, motivated us to find other molecular crystals capable of supporting similar reactions. Small changes to the molecular structure of DiBz yielded analogues with different crystal structures which showed varying degrees of acyl transfer reactivity as compared to the crystals of DiBz. A systematic investigation of the structures, polymorphism, cocrystallization behavior, and the corresponding reactivity of these crystals allowed us to correlate the acyl transfer reactivity with their structures and inherent noncovalent interactions and provided crucial insights into the mechanism of these reactions. Polymorphs or cocrystals of these compounds exhibited dissimilar reactivities due to differences in the molecular conformation and/or arrangements in their crystals. The knowledge of phase transitions between polymorphs enabled us to control and tune the reactivity in the solid state. We could identify three conditions essential for intermolecular acyl transfer: (i) favorable relative geometry of the electrophile (ester C=O) and the nucleophile (OH), (ii) noncovalent interactions (C-H center dot center dot center dot pi) between the reacting molecules which help in maintaining the facility and specificity of the reaction, and (iii) the presence of channels in the lattice which enable propagation of the reaction in the crystal. Based on this supramolecular structure reactivity correlation, we identified other molecular crystals (composed of molecules of widely different molecular structure from that of DiBz) from a survey of the Cambridge Structural Database (CSD) and predicted their acyl transfer reactivity. The increased availability of user-friendly modern X-ray diffractometers and related software has enabled efficient collection, analysis and interpretation of single crystal X-ray diffraction data, essential for such studies. The rapidly expanding CSD facilitates the identification of crystals with similar structures and reactivity patterns. In a wider perspective, facile reactions in molecular crystals fascinate chemists because these reactions usually exhibit unique product selectivity and have the potential to be developed as sustainable green reactions. We are optimistic that similar approaches for the study of other group transfer reactions in molecular crystals would augment and widen the scope of chemical reactions in molecular crystals in particular and the solid state in general. The ability to predict the reactivity of molecules in their crystals could find applications in organic synthesis, material science and industry. Realization of the involvement of inositol derivatives in cellular processes led to the discovery of cellular signal transduction mechanisms. The ability of inositol derivatives to support facile acyl-transfer reactions in the crystalline state might well have opened a new avenue for research in the area of organic solid-state reactions.

}, doi = {10.1021/acs.accounts.8b00557}, author = {Shashidhar, Mysore S. and Krishnaswamy, Shobhana} } @article {45515, title = {Interplay between membrane curvature and cholesterol: role of palmitoylated caveolin-1}, journal = {Biophysical Journal}, volume = {116}, year = {2019}, month = {JAN }, pages = {69-78}, type = {Article}, abstract = {

Caveolin-1 (cav-1) is an important player in cell signaling and endocytosis that has been shown to colocalize with cholesterol-rich membrane domains. Experimental studies with varying cav-1 constructs have suggested that it can induce both cholesterol clustering and membrane curvature. Here, we probe the molecular origin of membrane curvature and cholesterol clustering by cav-1 by using coarse-grain molecular dynamics simulations. We have performed a series of simulations of a functionally important cav-1 construct, comprising the membrane-interacting domains and a C-terminal palmitoyl tail. Our results suggest that cav-1 is able to induce cholesterol clustering in the membrane leaflet to which it is bound as well as the opposing leaflet. A positive membrane curvature is observed upon cav-1 binding in cholesterol-containing bilayers. Interestingly, we observe an interplay between cholesterol clustering and membrane curvature such that cav-1 is able to induce higher membrane curvature in cholesterol-rich membranes. The role of the cav-1 palmitoyl tail is less clear and appears to increase the membrane contacts. Further, we address the importance of the secondary structure of cav-1 domains and show that it could play an important role in membrane curvature and cholesterol clustering. Our work is an important step toward a molecular picture of caveolae and vesicular endocytosis.

}, issn = {0006-3495}, doi = {10.1016/j.bpj.2018.11.3127}, author = {Krishna, Anjali and Sengupta, Durba} } @article {46095, title = {Iodine-mediated oxidative rearrangement of alpha,beta-unsaturated diaryl ketones: a facile access to 1,2-diaryl diketones}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JUN}, pages = {9636-9644}, type = {Article}, abstract = {

A metal-free oxidative rearrangement was explored for the synthesis of 1,2-diaryl diketones by utilizing alpha, beta-unsaturated diaryl ketones and I-2/TBHP in good to high yields. The reaction proceeds via oxidative aryl migration, followed by C-C bond cleavage. A simple and high-yielding protocol was developed for the synthesis of a wide range of 1,2-diaryl diketones, which are the backbone for a variety of medicinally important molecules.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b00833}, author = {Bansode, Ajay H. and Suryavanshi, Gurunath} } @article {46192, title = {Ionic pyridinium-oxazole dyads: design, synthesis, and application in mitochondrial imaging}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {FEB }, pages = {1766-1777}, type = {Article}, abstract = {

We recently developed an oxidative intramolecular 1,2-amino-oxygenation reaction, combining gold(I)/gold(III) catalysis, for accessing structurally unique ionic pyridinium-oxazole dyads (PODs) with tunable emission wavelengths. On further investigation, these fluorophores turned out to be potential biomarkers; in particular, the one containing -NMe2 functionality (NMe2-POD) was highly selective for mitochondrial imaging. Of note, because of mitochondria{\textquoteright}s involvement in early-stage apoptosis and degenerative conditions, tracking the dynamics of mitochondrial morphology with such imaging technology has attracted much interest. Along this line, we wanted to build a library of such PODs which are potential mitochondria trackers. However, Au/Selecfluor, our first-generation catalyst system, suffers from undesired fluorination of electronically rich PODs resulting in an inseparable mixture (1:1) of the PODs and their fluorinated derivatives. In our attempt to search for a better alternative to circumvent this issue, we developed a second-generation approach for the synthesis of PODs by employing Cu(II)/PhI(OAC)(2)-mediated oxidative 1,2-amino-oxygenation of alkynes. Thes newly synthesized PODs exhibit tunable emissions as well as excellent quantum efficiency up to 0.96. Further, this powerful process gives rapid access to a library of NMe2-PODs which are potential mitochondrial imaging agents. Out of the library, the randomly chosen POD-3g was studied for cell-imaging experiments which showed high mitochondrial specificity, superior photostability, and appreciable tolerance to microenvironment changes with respect to commercially available MitoTracker green.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02528}, author = {Shaikh, Aslam C. and Varma, Mokshada E. and Mule, Ravindra D. and Banerjee, Somsuvra and Kulkarni, Prasad P. and Patil, Nitin T.} } @article {46426, title = {Lignin conversion using catalytic ionic liquids: understanding the role of cations, anions, and hammett acidity functions}, journal = {Industrial \& Engineering Chemistry Research}, volume = {58}, year = {2019}, month = {NOV }, pages = {21273-21284}, type = {Article}, abstract = {

Because it is undisputable that lignin depolymerization is a must to make the biorefinery concept economically feasible, several efforts are put toward it; however, a lot of catalyst designing is required to achieve efficient depolymerization activities. In this work, we show a systematic approach in the synthesis and characterization of ionic liquids (ILs) with varying combinations of cations (imidazole, benzimidazole, phosphonium, and ammonium) and anions (HSO4, PTS (p-toluenesulfonate), Cl, H2PO4, SnCl3, FeCl4, and CuCl3) for the depolymerization of lignin into low-molecular weight aromatic fractions (\<220 g/mol) under mild reaction conditions (120 degrees C, 1 h, ambient pressure). In a methodical approach, effects of various reaction parameters such as temperature (70-170 degrees C), time (15-360 min), pressure (N-2, 0.5-3 MPa), solvents and substrate, and so forth were studied to achieve best activity. Among all the catalysts, IL with the imidazolium cation and HSO4 as the anion showed best activity (78\% yield). Subsequent to depolymerization, three aromatic monomers (5 wt \% pure vanillin) were isolated using flash column chromatography. These aromatic monomers were characterized using gas chromatography (GC), GC-mass spectrometry, and NMR techniques for their purity. Hammett acidity functions (H-0) of ILs were measured using UV-vis photo-spectroscopy, and values are correlated with lignin depolymerization results. Lignin and tetrahydrofuran-soluble products were thoroughly characterized using assorted physicochemical techniques such as NMR (H-1 and C-13), gel permittivity chromatography, thermogravimetric analysis, and so forth. The catalyst was recycled up to six runs and showed similar results in consecutive reactions.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.9b03375}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {46310, title = {Lignocellulosic biomass: hurdles and challenges in its valorization}, journal = {Applied Microbiology and Biotechnology}, year = {2019}, type = {Review; Early Access}, abstract = {

Lignocellulosic biomass (LCB) is globally available and sustainable feedstock containing sugar-rich platform that can be converted to biofuels and specialty products through appropriate processing. This review focuses on the efforts required for the development of sustainable and economically viable lignocellulosic biorefinery to produce carbon neutral biofuels along with the specialty chemicals. Sustainable biomass processing is a global challenge that requires the fulfillment of fundamental demands concerning economic efficiency, environmental compatibility, and social responsibility. The key technical challenges in continuous biomass supply and the biological routes for its saccharification with high yields of sugar sources have not been addressed in research programs dealing with biomass processing. Though many R\&D endeavors have directed towards biomass valorization over several decades, the integrated production of biofuels and chemicals still needs optimization from both technical and economical perspectives. None of the current pretreatment methods has advantages over others since their outcomes depend on the type of feedstock, downstream process configuration, and many other factors. Consolidated bio-processing (CBP) involves the use of single or consortium of microbes to deconstruct biomass without pretreatment. The use of new genetic engineering tools for natively cellulolytic microbes would make the CBP process low cost and ecologically friendly. Issues arising with chemical characteristics and rigidity of the biomass structure can be a setback for its viability for biofuel conversion. Integration of functional genomics and system biology with synthetic biology and metabolic engineering undoubtedly led to generation of efficient microbial systems, albeit with limited commercial potential. These efficient microbial systems with new metabolic routes can be exploited for production of commodity chemicals from all the three components of biomass. This paper provides an overview of the challenges that are faced by the processes converting LCB to commodity chemicals with special reference to biofuels.

}, keywords = {Biomass pretreatment, Biomass supply chain, Cellulosic ethanol, Consolidated bio-processing, Lignocellulosic biomass (LCB)}, issn = {0175-7598}, doi = {10.1007/s00253-019-10212-7}, author = {Singhvi, Mamata S. and Gokhale, Digambar V.} } @article {46124, title = {Lipid composition and salt concentration as regulatory factors of the anion selectivity of VDAC studied by coarse-grained molecular dynamics simulations}, journal = {Chemistry and Physics of Lipids}, volume = {220}, year = {2019}, month = {MAY}, pages = {66-76}, type = {Article}, abstract = {

The voltage-dependent anion channel (VDAC) is a mitochondrial outer membrane protein whose fundamental function is to facilitate and regulate the flow of metabolites between the cytosol and the mitochondrial inter membrane space. Using coarse-grained molecular dynamics simulations, we investigated the dependence of VDAC selectivity towards small inorganic anions on two factors: the ionic strength and the lipid composition. In agreement with experimental data we found that VDAC becomes less anion selective with increasing salt concentration due to the screening of a few basic residues that point into the pore lumen. The molecular dynamics simulations provide insight into the regulation mechanism of VDAC selectivity by the composition in the lipid membrane and suggest that the ion distribution is differently modulated by POPE compared to the POPC bilayer. This occurs through the more persistent interactions of acidic residues located at both rims of the beta-barrel with head groups of POPE which in turn impact the electrostatic potential and thereby the selectivity of the pore. This mechanism occurs not only in POPE single component membranes but also in a mixed POPE/POPC bilayer by an enrichment of POPE over POPC lipids on the surface of VDAC. Thus we show here that computationally-in-expensive coarse-grained simulations are able to capture, in a semi-quantitative way, essential features of VDAC anion selectivity and could pave the way toward a molecular level understanding of metabolite transport in natural membranes.

}, keywords = {Coarse-grained molecular, Membrane channel, Protein-lipid interactions, VDAC}, issn = {0009-3084}, doi = {10.1016/j.chemphyslip.2018.11.002}, author = {Van Liefferinge, F. and Krammer, E. -M. and Sengupta, D. and Prevost, M.} } @article {46289, title = {Lithium compounds as single site catalysts for hydroboration of alkenes and alkynes}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {OCT }, pages = {11711-11714}, type = {Article}, abstract = {

The hydroboration of alkenes and alkynes using easily accessible lithium compounds [2,6-di-tert-butyl phenolatelithium (1a) and 1,1 {\textquoteleft} dilithioferrocene (1b)] has been achieved with good yields, high functional group tolerance and excellent chemoselectivity. Deuterium-labeling experiments confirm the cis-addition of pinacolborane. The methodology has been further extended to myrcene, which undergoes selective 4,3-hydroboration. DFT calculations provide insights into the mechanism.

}, issn = {1359-7345}, doi = {10.1039/c9cc05783h}, author = {Bisai, Milan Kumar and Yadav, Sandeep and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {46133, title = {Lithium speciation in the LiPF6/PC electrolyte studied by two dimensional heteronuclear overhauser enhancement and pulse field gradient diffusometry NMR}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {APR}, pages = {9661-9672}, type = {Article}, abstract = {

Electrolytic dissociation of lithium hexafluorophosphate (LiPF6) in the nonaqueous cyclic propylene carbonate (PC) has been investigated in the wide range of concentration (0.05-3.5 M) by Li-7 solution-state nuclear magnetic resonance (NMR) spectroscopy. Two-dimensional heteronuclear Overhauser enhancement spectroscopy NMR experiments have not only enabled the cation solvation and ion-pairing to be directly monitored but additionally evidence anion solvent interaction at higher concentrations (\>1.2 M) of the PC electrolyte. Preliminary analysis of kinetic nOe data has been made to determine site-dependent cross-relaxation rates for the spatial interaction of the solvent with the Li+ cation and the PF6- anion. The concentration dependence of the Li-7 NMR self-diffusion coefficient (D-self), determined using very strong pulsed magnetic field gradients (similar to 1700 Gauss/cm), depicts two breaks to mark the solvation and ion-pairing events in a distinct manner. This in turn has aided the determination of solvent coordination number and average sizes of solvated and ion-paired clusters. Our results indicate that in the contact ion pair (CIP)-dominated electrolyte (\>2 M), lithium-ion mobility across the solvated and ion-paired environments appears to be inhibited which makes the spectral distinction of solvated and ion-paired environments possible. The concentration dependence of the Li-7 NMR spectral and diffusometry data is in striking correspondence with that of bulk conductivity measurements and point to the detrimental effect of CIP aggregates in impeding the ionic conductivity at high salt concentrations. These results have significance in understanding the structure and dynamics of lithium-ion solvates that are ubiquitous in the working environment of a lithium-ion battery.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.8b11599}, author = {Kumar, Vikas and Reddy, R. Ravikanth and Kumar, B. V. N. Phani and Avadhani, Chilukuri V. and Ganapathy, Subramanian and Chandrakumar, Narayanan and Sivaram, Swaminathan} } @article {46074, title = {Magnetic parameters of SrFe12O19 sintered from a mixture of nanocrystalline and micron-sized powders}, journal = {Ceramics International}, volume = {45}, year = {2019}, month = {JUL}, pages = {13592-13596}, type = {Article}, abstract = {

Obtaining higher magnetic parameters is essential for high-power sintered strontium ferrite (SrFe12O19) for various applications. A novel approach has been made to improve the magnetic parameters of sintered strontium ferrite by making self-composites from nano and micron-sized powders. Powders with two different weight ratios (50 wt\% nano:50 wt\% micron and 75 wt\% nano:25 wt\% micron) were mixed together, compacted and sintered at 1200 degrees C for 1 h. For a self-composite of 75 wt\% nano and 25 wt\% micron-sized powders, coercivity (H-c) of 3076 Oe has been obtained, larger than the values for the sintered compacts from the component powders. The present study suggests that the magnetic parameters of sintered SrFe12O19 can be improved by making self-composite comprising of nanocrystalline and micron-sized powders.

}, keywords = {Ceramics, Magnetic materials, microstructures, Self-composites, strontium ferrite}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2019.04.023}, author = {Shashanka, H. M. and Anantharamaiah, P. N. and Joy, P. A.} } @article {46320, title = {Mechanistic insights into the pathways of phenol hydrogenation on Pd nanostructures}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {7}, year = {2019}, month = {OCT}, pages = {17126-17136}, type = {Article}, abstract = {

Product selectivity in aqueous phase phenol hydrogenation on well-defined supported Pd nanostructures (spheres, cubes, and octahedra) was studied using defined experiments and density functional theory (DFT) simulations. On Pd spheres and octahedra, the reaction initially showed high selectivity (in the first 3 h, at 363 K and 5 bar H-2 pressure) toward the partially hydrogenated product cyclohexanone. On prolonged operation (\>20 h of reaction time), a shift in the product selectivity (up to 100\%) toward the completely hydrogenated product cyclohexanol was observed on Pd spheres and octahedra. In contrast, the reaction on Pd cubes, which only had {100} facets, showed a high selectivity (similar to 90\%) toward the product cyclohexanone even after 40 h, at the same reaction conditions. Since the {111} facets are expected to be the majority sites on a spherical particle, we attribute the selectivity trend observed on spherical Pd particles to be primarily controlled by the selectivity trend on the Pd{111} facets. This observation was further confirmed on performing the hydrogenation reaction on a mixture of Pd cube and Pd octahedron particles in a ratio of 25:75 (representing the site ratio of a spherical particle). DFT simulations provided a mechanistic insight into the reactivity of the two different facets ({100} and {111}) toward phenol hydrogenation. The calculations revealed that the selectivity significantly depended on the activation barriers involved in cyclohexanone hydrogenation on the Pd{111} facets (77 and 57 kJ/mol) as compared to those on the Pd{100} facets (97 and 101 kJ/mol).

}, keywords = {Cyclohexanol, cyclohexanone, facet-dependent reactivity, phenol hydrogenation}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.9b03392}, author = {Porwa, Govind and Gupta, Shelaka and Sreedhala, S. and Elizabeth, Joes and Ithan, Tuhin Suvra and Haider, M. Ali and Vinod, C. P.} } @article {46356, title = {Medium modulated oxygen reduction activity of Fe/Co active centre-engrafted electrocatalysts}, journal = {ChemElectroChem}, volume = {6}, year = {2019}, month = {JUN }, pages = {2956-2964}, type = {Article}, abstract = {

Iron and cobalt metal atoms are effective active centers for the synthesis of carbon-based noble-metal-free catalysts for the oxygen reduction reaction (ORR) owing to their cost-effective intrinsic activity and tunable properties. Annealing of the active center with the conducting carbon enhances the ORR activity significantly. Herein, we have engrafted Fe and Co active centers in the homemade conducting carbon and the ORR performance has been closely observed under acidic and basic pH conditions to understand the influence of the medium and participating moieties towards the performance. In the half-cell reaction, the onset potential and half-wave potential for ORR are governed by the surface intermediates and concomitantly driven by the adsorption energies of the intermediates over the active centers. The iron and cobalt active center-engrafted carbon catalyst behaves differently in acidic and basic electrolytes owing to the dissociation of the surface intermediates. The iron-based catalyst shows improved onset potential against the cobalt-based one. Similarly, the cobalt-based catalyst shows improved half-wave potential against the iron active-center-grafted catalyst. The combined synergistic effect of the two catalysts is realized in the composition represented as Fe/2Co-N-GVC, where improved onset and half-wave potentials are noted in basic medium. A significant variation in the activity of the catalyst is observed as the medium changes from acidic to basic and the effect is directly associated with the surface adsorption of the intermediates.

}, keywords = {active centers, half-wave potential, Mechanism, oxygen reduction reaction, transition state}, issn = {2196-0216}, doi = {10.1002/celc.201900260}, author = {Kashyap, Varchaswal and Anand, Aljo and Soni, Roby and Sreekumar, Kurungot} } @article {46005, title = {Metagenomic insights to understand transient influence of Yamuna River on taxonomic and functional aspects of bacterial and archaeal communities of River Ganges}, journal = {Science of the Total Environment}, volume = {674}, year = {2019}, month = {JUL}, pages = {288-299}, type = {Article}, abstract = {

River confluences are interesting ecosystems to investigate for their microbial community structure and functional potentials. River Ganges is one of the most important and holy river of India with great mythological history and religious significance. The Yamuna River meets Ganges at the Prayagraj (formerly known as Allahabad), India to form a unique confluence. The influence of Yamuna River on taxonomic and functional aspects of microbiome at this confluence and its downstream, remains unexplored. To unveil this dearth, whole metagenome sequencing of the microbial (bacterial and archaeal) community from the sediment samples of December 2017 sampling expedition was executed using high throughput MinION technology. Results revealed differences in the relative abundance of bacterial and archaeal communities across the confluence. Grouped by the confluence, a higher abundance of Proteobacteria and lower abundance of Bacteroidetes and Firnacutes was observed for Yamuna River (G15Y) and at immediate downstream of confluence of Ganges (G15DS), as compared to the upstream, confluence, and farther downstream of confluence. A similar trend was observed for archaeal communities with a higher abundance of Euryarchaeoto in G15Y and G15DS, indicating Yamuna River{\textquoteright}s influence. Functional gene(s) analysis revealed the influence of Yamuna River on xenobiotic degradation, resistance to toxic compounds, and antibiotic resistance interceded by the autochthonous microbes at the confluence and succeeding downstream locations. Overall, similar taxonomic and functional profiles of microbial communities before confluence (upstream of Ganges) and farther downstream of confluence, suggested a transient influence of Yamuna River. Our study is significant since it may be foundational basis to understand impact of Yamuna River and also rare event of mass bathing on the microbiome of River Ganges. Further investigation would be required to understand, the underlying cause behind the restoration of microbial profiles post-confluence farther zone, to unravel the rejuvenation aspects of this unique ecosystem. (C) 2019 Elsevier B.A. All rights reserved.

}, keywords = {Confluence zone, Ganges, Metagenomics, Transient influence, Yamuna}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2019.04.166}, author = {Samson, Rachel and Shah, Manan and Yadav, Rakeshkumar and Sarode, Priyanka and Rajput, Vinay and Dastager, Syed G. and Dharne, Mahesh S. and Khairnar, Krishna} } @article {46157, title = {Metal-free, radical 1,6-conjugated addition of cyclic ethers with para-quinone methides (p-QMs)}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {MAR}, pages = {3239-3248}, type = {Article}, abstract = {

An efficient method for metal-free C-C bond formation between p-quinone methides (p-QMs) and cyclic ethers via a radical pathway to afford substituted diarylmethanes and triarylmethanes or to effect the -alkylation of the cyclic ethers has been developed. Also, the synthesis of 3,3-disubstituted oxindoles with stereogenic quaternary carbon centers was successfully achieved under mild reaction conditions.

}, issn = {1477-0520}, doi = {10.1039/c9ob00127a}, author = {More, Satish G. and Suryavanshi, Gurunath} } @article {46194, title = {Metal-free regioselective cross dehydrogenative coupling of cyclic ethers and aryl carbonyls}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {FEB }, pages = {2039-2047}, type = {Article}, abstract = {

A highly regioselective, efficient, and metal-free oxidative cross dehydrogenative coupling (CDC) of aryl carbonyls with cyclic ethers has been developed. This method offers easy access to substituted alpha-arylated cyclic ethers with a high functional group tolerance in good to excellent yields. The regioselectivity of this CDC reaction was confirmed by density functional theory (DFT)-based calculations.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b03048}, author = {Mane, Kishor D. and Mukherjee, Anagh and Vanka, Kumar and Suryavanshi, Gurunath} } @article {46120, title = {Microbacterium enclense sp. nov., isolated from sediment sample (vol 65, pg 2064, 2015)}, journal = {International Journal of Systematic and Evolutionary Microbiology}, volume = {69}, year = {2019}, month = {MAY}, pages = {1528}, type = {Correction}, issn = {1466-5026}, doi = {10.1099/ijsem.0.003331}, author = {Mawlankar, Rahul R. and Mual, Poonam and Sonalkar, Vidya V. and Thorat, Meghana N. and Verma, Ashish and Srinivasan, Krishnamurthi and Dastager, Syed G.} } @article {46296, title = {Micro-Raman investigations on zirconium oxide film during swift heavy ion irradiation to study crystalline-to-crystalline phase transformation kinetics by cascade overlap model}, journal = {Journal of Applied Physics}, volume = {126}, year = {2019}, month = {JUL}, pages = {025901}, type = {Article}, abstract = {

In situ micro-Raman studies are reported to monitor the evolution of the tetragonal phase in a monoclinic zirconium oxide thin film under swift heavy ion irradiation with increasing ion fluences. Structural changes in the irradiated film are observed as compared to the virgin sample, evident from an evolution of the tetragonal phase beyond critical ion fluence. The interpretation of experimental data allows for an in-depth understanding of irradiation induced stiffening of phonon and crystalline-to-crystalline phase transformation in ZrO2 thin films. Irradiation induced peak broadening and uniform shifting of fundamental Raman modes are observed mainly in the anion (i. e., oxygen atom) dominant frequency region and give a direct indication of the accumulation of structural disorder in the oxygen sublattice of the ZrO2 film. A qualitative approach is followed to understand the kinetics of such a crystalline-to-crystalline phase transformation. Experimental results reveal that the cascade overlap model with the requirement of about six multiple ion impacts provides an excellent fit to data, and the same is further confirmed by x-ray diffraction data. Thus, this study suggests that such in situ studies envisage a better and more authentic insight into the kinetics of phase transformations under similar nonequilibrium conditions.

}, issn = {0021-8979}, doi = {10.1063/1.5090309}, author = {Singh, Fouran and Rawat, Mukesh and Gautam, Subodh K. and Ojha, Sunil} } @article {45610, title = {Microwave-assisted synthesis and antituberculosis screening of Some 4-((3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-l)methyl)benzenamine hybrids}, journal = {Journal of Heterocyclic Chemistry}, volume = {56}, year = {2019}, month = {FEB}, pages = {434-442}, type = {Article}, abstract = {

In the present investigation, a series of 4-((3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methyl)benzenamine analogs 6a{\textendash}o were synthesized and characterized by IR, NMR (1H and 13C), and mass spectra. All newly synthesized compounds 6a{\textendash}o were prepared under conventional and microwave irradiation methods. These compounds obtained in higher yields and in shorter reaction times in the microwave irradiation method when compared with the conventional method. Synthesized compounds 6a{\textendash}o were inspected for their in vitro antitubercular activity against Mycobacterium tuberculosis H37Ra using an established XTT reduction menadione assay. Among the screened compounds, 6i (IC50: 1.82 μg/mL), 6j (IC50: 1.02 μg/mL), and 6k (IC50: 1.59 μg/mL) showed excellent activity. Furthermore, compound 6i showed MIC90 value of 16.02 μg/mL. In summary, the results indicate the identification of some novel, selective, and specific inhibitors against M. tuberculosis that can be explored further for the potential antitubercular drug.

}, issn = {0022-152X}, doi = {10.1002/jhet.3416}, author = {Patil, Y. and Shingare, R. and Choudhari, A. and Sarkar, D. and Madje, B.} } @article {46313, title = {Mitochondrial cytochrome oxidase C subunit III (cox3) gene as a sensitive and specific target for molecular detection of Babesia gibsoni infection in dogs}, journal = {Experimental Parasitology}, volume = {206}, year = {2019}, month = {NOV}, pages = {107771}, type = {Article}, abstract = {

A PCR targeting mitochondrial cytochrome oxidase subunit III (cox3) for molecular detection of Babesia gibsoni infection in dogs has been developed in this study. Fifty blood samples from suspected clinical cases from dogs, brought to the veterinary college clinics, were examined for presence of B. gibsoni using conventional diagnosis by microscopic examination of Giemsa stained thin blood smears. In addition, species specific PCRs targeting ITS-1 region (BgITS-1 PCR) and nested PCR targeting 18S ribosomal RNA gene (Bg18SnPCR) were carried out. A 634 bp PCR fragment of B. gibsoni cox3 gene was amplified in positive samples from three geographical locations of Satara, Wai and Pune in Maharashtra state of India. From analysis of the sequence of the B. gibsoni cox3 gene, we found that the Indian isolate had 96-98\% similarity to the isolate from Japan and China. Post sequencing, de-novo diagnostic primer pair for species specific amplification of 164 bp fragment of B. gibsoni cox3 was designed and the PCR was standardized. The diagnostic results of de-novo Bgcox3 PCR were compared with BgITS-1 PCR and Bg18S nPCR. Thin blood smears detected 22\% (11/50) samples positive for small form of Babesia species. The BgITS-1 PCR detected 25\% samples (15/50) as positive and Bg18S nPCR detected 80\% (40/50) B. gibsoni positive samples. The de-novo Bgcox3 PCR detected 66\% (33/50) samples positive for B. gibsoni (at 95\% CI). The analytical sensitivity of cox3 PCR was evaluated as 0.000003\% parasitaemia or 09 parasites in 100 mu l of blood. The de-novo diagnostic cox3 PCR did not cross react with control positive DNA from other haemoprotozoa and rickettsia like B. vogeli, Hepatozoon canis, Trypanosoma evansi, Ehrlichia cants and Anaplasma platys. Statistically, cox3 PCR had better diagnostic efficiency than ITS-1 PCR in terms of sensitivity (p = 0.0006). No statistically significant difference between results of cox3 PCR and 18S nPCR was observed (p = 0.1760). Kappa values estimated for each test pair showed fair to moderate agreement between the observations. Specificity of Bgcox3 PCR was 100\% when compared with microscopy or BgITS-1 PCR. Sensitivity of Bgcox3 PCR was 100\% when compared with that of Bg18S nPCR.

}, keywords = {Babesia gibsoni, cox3, Diagnosis, Dog, mitochondria, molecular}, issn = {0014-4894}, doi = {10.1016/j.exppara.2019.107771}, author = {Betgiri, Aishwarya A. and Jadhav, Sameer N. and Pawde, Mrunalini and Shukla, Anurag and Mote, Chandrashekhar and Pawar, Prashant D. and Shanmugam, Dhanasekaran and Kundu, Krishnendu} } @article {46329, title = {Molecular basis of drug resistance in smoothened receptor: an in silico study of protein resistivity and specificity}, journal = {Proteins-Structure Function and Bioinformatics}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {

Smoothened (SMO) antagonist Vismodegib effectively inhibits the Hedgehog pathway in proliferating cancer cells. In early stage of treatment, Vismodegib exhibited promising outcomes to regress the tumors cells, but ultimately relapsed due to the drug resistive mutations in SMO mostly occurring before (primary mutations G497W) or after (acquired mutations D473H/Y) anti-SMO therapy. This study investigates the unprecedented insights of structural and functional mechanism hindering the binding of Vismodegib with sensitive and resistant mutant variants of SMO (SMOMut). Along with the basic dynamic understanding of Vismodegib-SMO complexes, network propagation theory based on heat diffusion principles is first time applied here to identify the modules of residues influenced by the individual mutations. The allosteric modulation by GLY497 residue in Vismodegib bound SMO wild-type (SMOWT) conformation depicts the interconnections of intermediate residues of SMO with the atom of Vismodegib and identify two important motifs (E-X-P-L) and (Q-A-N-V-T-I-G) mediating this allosteric regulation. In this study a novel computational framework based on the heat diffusion principle is also developed, which identify significant residues of allosteric site causing drug resistivity in SMOMut. This framework could also be useful for assessing the potential allosteric sites of different other proteins. Moreover, previously reported novel inhibitor {\textquoteleft}{\textquoteleft}ZINC12368305,{\textquoteright}{\textquoteright} which is proven to make an energetically favorable complex with SMOWT is chosen as a control sample to assess the impact of receptor mutation on its binding and subsequently identify the important factors that govern binding disparity between Vismodegib and ZINC12368305 bound SMOWT/Mut conformations.

}, keywords = {allosteric sites, molecular dynamics simulation, Mutation, smoothened receptor, Vismodegib}, issn = {0887-3585}, doi = {10.1002/prot.25830}, author = {Sinha, Noopur and Chowdhury, Saikat and Sarkar, Ram Rup} } @article {46250, title = { Molybdenum carbide catalyst for the reduction of CO2 to CO: surface science aspects by NAPPES and catalysis studies }, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {AUG}, pages = {12199-12209}, type = {Article}, abstract = {

Carbon dioxide is a greenhouse gas, and needs to be converted into one of the useful feedstocks, such as carbon monoxide and methanol. We demonstrate the reduction of CO2 with H-2 as a reducing agent, via a reverse water gas shift (RWGS) reaction, by using a potential and low cost Mo2C catalyst. Mo2C was evaluated for CO2 hydrogenation at ambient pressure as a function of temperature, and CO2 : H-2 ratio at a gas hourly space velocity (GHSV) of 20 000 h(-1). It is demonstrated that the Mo2C catalyst with 1 : 3 ratio of CO2 : H-2 is highly active (58\% CO2 conversion) and selective (62\%) towards CO at 723 K at ambient pressure. Both properties (basicity and redox properties) and high catalytic activity observed with Mo2C around 700 K correlate well and indicate a strong synergy among them towards CO2 activation. X-ray diffraction and Raman analysis show that the Mo2C catalyst remains in the beta-Mo2C form before and after the reaction. The mechanistic aspects of the RWGS reaction were determined by near-ambient pressure X-ray photoelectron spectroscopy (NAPXPS) with in situ generated Mo2C from carburization of Mo-metal foil. NAPXPS measurements were carried out at near ambient pressure (0.1 mbar) and various temperatures. Throughout the reaction, no significant changes in the Mo2+ oxidation state (of Mo2C) were observed indicating that the catalyst is highly stable; C and O 1s spectral results indicate the oxycarbide species as an active intermediate for RWGS. A good correlation is observed between catalytic activity from atmospheric pressure reactors and the electronic structure details derived from NAPXPS results, which establishes the structure-activity correlation.

}, doi = {10.1039/c9dt01774g}, author = {Reddy, Kasala Prabhakar and Dama, Srikanth and Mhamane, Nitin B. and Ghosalya, Manoj K. and Raja, Thirumalaiswamy and Satyanarayana, Chilukuri V. and Gopinath, Chinnakonda S.} } @article {47473, title = {Morphological and molecular characterization of Penicillium rubens sp.nov isolated from poultry feed}, journal = {Indian Phytopathology}, volume = {72}, year = {2019}, month = {SEP}, pages = {461{\textendash}478}, type = {Article}, abstract = {Fungi are the second largest group of eukaryotic organisms, estimates ranging from 2.2 to 3.8 million and 120,000 currently accepted species. Unfortunately, identification of Penicillium species is an overwhelming task even for taxonomic experts. In the current study, we isolated identified and morphologically characterized Penicillium rubens strain NCIM-1397. Molecular characterization of P. rubens by multilocus sequence analysis (MLSA) of internal transcribed spacer (ITS) region, β-tubulin (BenA), calmodulin (CaM), NL (D1/D2 region) and LR (large subunit region) gene. Conversely, BenA gene differentiated P. rubens from P. chrysogenum. Moreover, Vitek MS, Matrix-assisted laser desorption ionization{\textendash}time of flight mass spectrometer (MALDI-TOF{\textendash}MS) failed to discriminate to strain level. Metabolic profiling of P. rubens enable to produce roquefortine C, chrysogine, meleagrine, sorbicillin and non-producers for industrially important metabolite, penicillin determined by LC{\textendash}MS. Even, In addition, even molecular detection of penicillin biosynthetic pathway genes, PcbC, PenDE and Phl were negative by PCR. Nevertheless, P. rubens showed 90{\textendash}100\% toxicity/pathogenicity on seed germination of sorghum (Sorghum bicolor) and no further development of coleoptiles, radicle and leaf length observed. Also, it showed non-toxic to animal cell determined on Human foreskin fibroblast (HFF) cell line by In-Vitro.}, doi = {10.1007/s42360-019-00165-2}, author = {Sawant, Amol M. and Vankudoth, Ramu and Navale, Vishwambar and Kumavat, Rajkamal and Kumari, Prabla and Santhakumari, B. and Vamkudoth, Koteswara Rao} } @article {47152, title = {Morphology of ammonium perchlorate in the presence of ethylene glycol as an additive: a first principle study}, journal = {Crystengcomm}, volume = {21}, year = {2019}, month = {DEC}, pages = {7519-7527}, type = {Article}, abstract = {

Ammonium perchlorate (AP) is an extensively used crystalline oxidizer in high energy materials and their compositions. A desired morphology of AP is crucial for the high burn rates of solid propellants. We have examined the habit modification of AP crystals in the absence and presence of ethylene glycol as an impurity by means of important parameters such as interaction and surface energies to predict the resultant morphology. On the basis of first principles density functional theory (DFT) calculations of the binding and surface energies before and after the adsorption of the surface-capping agent (ethylene glycol) on the AP surfaces, we have shown that the relative stability of all the important surfaces (100), (101), (011), (001) and (210) rationalize the habit modification of AP crystals. In accordance with the surface energy calculations, the stability order of the five crystallographic surfaces of AP was found to be (001) \> (210) \> (101) \> (100) \> (011) in the absence of additive molecules, i.e., in the clean surfaces. This result is in concurrence with the fact that AP crystals richly contain (001) planes when grown in the absence of an additive. The computational methodology applied for the determination of surface energies was found to be reliable as it has well reproduced the stability trend of AP surfaces. However, the trend, (210) \> (001) \> (101) \> (011) \> (100), was observed when these surfaces were capped with a known additive molecule, i.e., ethylene glycol. The crystal habit of AP in the presence of ethylene glycol is such that the intensity of the lattice plane (2 1 0) of the modified AP was remarkably high leading to the shape of hexahedral, which is in excellent agreement with the experimental results. A linear fit correlation was also observed between surface energies and interaction energy values for the additive adsorbed AP surfaces.

}, issn = {1466-8033}, doi = {10.1039/c9ce01262a}, author = {Khan, Md Abdul Shafeeuulla and Vijayalakshmi, R. and Singh, Avtar and Nandi, Amiya Kumar and Talawar, M. B.} } @article {46038, title = {MWCNTs-ZnO-SiO2 mesoporous nano-hybrid materials for CO2 capture}, journal = {Journal of Alloys and Compounds}, volume = {800}, year = {2019}, month = {SEP}, pages = {279-285}, type = {Article}, abstract = {

Carbon nanostructures and metal nanoparticles based nanohybrid materials have been established as one of advantageous materials for various applications. Here, we present hydrothermal and sol-gel process at low temperature for the synthesis of (3-Aminopropyl) triethoxysilane (APTES)-ZnO-multi-walled carbon nanotubes (MWCNTs) mesoporous nanohybrid materials. TEM and XPS measurements show that uniform size and quasi-spherical ZnO nanoparticles were anchored to the surface of the MWCNTs. SEM observation exhibits that the aggregation of ZnO nanoparticles is greatly reduced due to the steric repulsion of grafted organic groups. The maximum CO2 adsorption capacity at 273 K was 1.32 mmol/g for MWCNTs-APTES-ZnO-B nanohybrid. An increase in the density of ZnO nanoparticles on the surface of MWCNTs resulted in a higher affinity towards CO2 at low pressure. This work provides new research directions for making further advances toward practical utilization of MWCNTs-based CO2 adsorbents. (C) 2019 Published by Elsevier B.V.

}, keywords = {CO2 capture, Mesoporous, MWCNTs, Nanohybrid, TEM, XPS}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2019.06.011}, author = {Jena, Kishore K. and Panda, Amulya Prasad and Verma, Savita and Mani, Ganesh Kumar and Swain, S. K. and Alhassan, Saeed M.} } @inbook {47478, title = {Nanobased intravenous and transdermal drug delivery systems}, booktitle = {Applications of Targeted Nano Drugs and Delivery Systems}, number = {Nanoscience and Nanotechnology in Drug Delivery Micro and Nano Technologies}, year = {2019}, pages = {551-594}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {In this chapter we bring in the collective information about intravenous and transdermal nano drug delivery systems (DDSs), which include different kinds of constituents used for the design of nano DDSs, their various forms, methods, and characterization of nanoformulations. }, doi = {10.1016/B978-0-12-814029-1.00019-3}, author = {Gundloori, Rathna V. N. and Singam, Amarnath and Killi, Naresh} } @article {47170, title = {Nanocellulose reinforced polymer composites as flexible mechanical energy harvesters}, journal = {Abstracts of Papers of the American Chemical Society}, volume = {258}, year = {2019}, month = {AUG}, type = {Meeting Abstract}, issn = {0065-7727}, author = {Shanmuganathan, Kadhiravan and Ram, Farsa} } @article {45615, title = {Nanoparticles based adsorbent for removal of arsenic from aqueous solution}, journal = {Asian Journal of Water, Environment and Pollution}, volume = {16}, year = {2019}, month = {JAN}, pages = {97-103}, type = {Article}, abstract = {Arsenic is a metalloid which poses a risk on water quality, a severe health problem for human and serious impact on environment. Occurrence of arsenic in natural environment may be due to natural processes or due to anthropogenic activities. Removal of arsenic can be done by many different techniques like adsorption, precipitation, flotation, ion exchange etc. Among them adsorption is widely used for removal of heavy metals from water due to its simplicity; also it{\textquoteright}s cost effective. The aim of the study is to evaluate the potential of nanoadsorbent for arsenic removal. A number of potent adsorbent have been developed from metal, carbon and oxide based nanoparticle for enhancing the adsorption capacity and removal capacity of arsenic from aqueous solution. A short overview of nanoadsorbent for arsenic removal from aqueous solution has been discussed in this review article.}, doi = {10.3233/AJW190011}, author = {Srivastava, A. and Selvaraj, K. and Prasad, K. S.} } @article {46173, title = {Negative axicon tip-based fiber optic interferometer cavity sensor for volatile gas sensing}, journal = {Optics Express}, volume = {27}, year = {2019}, month = {MAR }, pages = {7277-7290}, type = {Article}, abstract = {

In this research work we demonstrated negative axicon optical fiber tip filled with Polydimethylsiloxane (PDMS) as a sensor platform for volatile organic gases detection at room temperature. The response of the sensor was measured with various Volatile Organic Compounds (VOCs) such as Chloroform, Hexane, Isopropanol, Acetone, Toluene and Methanol in the concentration ranging from 5 to 200 ppm. The corresponding sensitivity and limit of detection (LOD) of the developed sensor for the measured VOCs were observed between the order of around 23.7 to 3.2 pm/ppm and 0.84 to 6.10 ppm, respectively. The response and recovery time of sensor were found between the order of 30 to 57 seconds and 8 to 25 seconds respectively for the measured VOCs. Thermal stability of the developed sensor was also studied at 30-70 degrees C with intervals of 10 degrees C. The principle of sensing is based on change in the length of the Fabry-Perot Interferometric (FPI) cavity in the presence of varied concentrations of VOCs, which results in changes in the shift in wavelength of an interference pattern attributed to the change in PDMS filling the cavity length (swelling). The experimentally observed trends in the relative swelling of PDMS with VOCs are found in agreement with the theoretically calculated values obtained from the Hansen solubility parameter (HSP). The developed gas sensor has the potential to fulfill the demands of industrial applications.

}, issn = {1094-4087}, doi = {10.1364/OE.27.007277}, author = {Kanavvade, Rajesh and Kumar, Ajay and Pawar, Dnyandeo and Vairagi, Kaushal and Late, Dattatray and Sarkar, Sudipta and Sinha, Ravindra K. and Mondal, Samir} } @article {45585, title = {NetShift: a methodology for understanding {\textquoteleft}driver microbes{\textquoteright} from healthy and disease microbiome datasets}, journal = {ISME Journal}, volume = {13}, year = {2019}, month = {JAN}, pages = {442-454}, type = {Article}, abstract = {The combined effect of mutual association within the co-inhabiting microbes in human body is known to play a major role in determining health status of individuals. The differential taxonomic abundance between healthy and disease are often used to identify microbial markers. However, in order to make a microbial community based inference, it is important not only to consider microbial abundances, but also to quantify the changes observed among inter microbial associations. In the present study, we introduce a method called {\textquoteleft}NetShift{\textquoteright} to quantify rewiring and community changes in microbial association networks between healthy and disease. Additionally, we devise a score to identify important microbial taxa which serve as {\textquoteleft}drivers{\textquoteright} from the healthy to disease. We demonstrate the validity of our score on a number of scenarios and apply our methodology on two real world metagenomic datasets. The {\textquoteleft}NetShift{\textquoteright} methodology is also implemented as a web-based application available at }, doi = {10.1038/s41396-018-0291-x}, author = {Kuntal, B. K. and Chandrakar, P. and Sadhu, S. and Mande, S. S.} } @article {46059, title = {New cardo bisphenol monomer containing pendant azido group and the resulting aromatic polyesters}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {57}, year = {2019}, month = {JUL }, pages = {1516-1526}, type = {Article}, abstract = {

Expanding on our strategy to synthesize aromatic step-growth polymers containing pendant clickable azido groups via functional monomer approach, we have now designed and synthesized a new cardo bisphenol, viz., 2-(2-azidoethyl)-3, 3-bis(4-hydroxyphenyl) isoindolin-1-one (PPH-N-3). PPH-N-3 was conveniently synthesized starting from commercially available phenolphthalein by a three-step route in an overall yield of 65\% using simple organic transformations. Aromatic (co)polyesters bearing pendant azido groups were synthesized by low-temperature solution polycondensation of PPH-N-3 or different molar ratios of PPH-N-3 and bisphenol-A (BPA) with aromatic diacid chlorides in dry dichloromethane in the presence of triethylamine (TEA) as a base. The formation of medium to reasonably high-molecular-weight (co)polyesters was evidenced from intrinsic viscosity and number-average molecular-weight measurements that were in the range 0.52-0.85 dL/g and 16,700-28,200, respectively. Tough, transparent, and flexible films could be cast from chloroform solutions of these (co)polyesters. (Co)polyesters were characterized using FTIR, H-1 NMR, C-13 NMR spectroscopy, XRD, and TGA. The thermal curing reaction of (co)polyesters involving decomposition of azido groups was studied by DSC analysis. The chemical modification of a representative copolyester containing pendant azido groups was carried out quantitatively using catalyst-free azide-maleimide cycloaddition reaction with two maleimides, namely, N-methylmaleimide and N-hexylmaleimide. (c) 2019 Wiley Periodicals, Inc.

}, keywords = {aromatic (co)polyester, azido group, cardo bisphenol, Chemical modification}, issn = {0887-624X}, doi = {10.1002/pola.29414}, author = {Maher, Deepak M. and Nagane, Samadhan S. and Jadhav, Uday A. and Salunkhe, Pravin H. and Tawade, Bhausaheb V. and Wadgaonkar, Prakash P.} } @article {46043, title = {New insights into surface functionalization and preparation methods of MWCNT based semiconductor photocatalysts}, journal = {Ceramics International}, volume = {45}, year = {2019}, month = {AUG }, pages = {14490-14499}, type = {Article}, abstract = {

The manuscript primarily describes the influence of various synthesis strategies on the photocatalytic properties of MWCNT/TiO2 binary nanohybrids. The multiwalled carbon nanotube modified titania hybrids synthesized via two-step reaction involving the covalent functionalization with green and mild oxidizing agent like H2O2, followed by simple surfactant/template free hydrothermal synthesis exhibited the maximum photocatalytic efficiency. The Total Organic Carbon (TOC) analysis showed complete mineralization of the persistent Rhodamine B dye in about 8 h. These synthesized nanohybrids in varying MWCNT content were tested for their photocatalytic efficiency in the degradation of explosive effluents like 4-nitrophenol and picric acid. The UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS), X-ray photoelectron spectroscopy (XPS), Brunauer Emmett Teller Surface area analysis (BET), Fourier transform infrared spectroscopy (FT-IR), Transmission electron microscopy (TEM) and Raman spectra analysis evidently revealed the effective synergistic interaction between the MWCNT and titania at the interface that has contributed to the significant enhancement of photocatalytic performance.

}, keywords = {Functionalization, Multiwalled carbon nanotubes (MWCNTs), Nitrophenol (4-NP), Photocatalysis, Picric acid (PA), Rhodamine B (RhB), Sol gel and hydrothermal method, synergistic effects, Titania (TiO2), Total organic carbon content (TOC)}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2019.04.058}, author = {Joseph, Honey Mary and Sugunan, S. and Gurrala, Lakshmiprasad and Mohan, Mothi Krishna and Gopi, Soumya} } @article {46249, title = {New porous high surface area, tio2 anatase/sapo-35 mild bronsted acidic nanocomposite: synthesis, characterization and studies on it{\textquoteright}s enhanced photocatalytic activity.}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {AUG}, pages = {9135-9142}, type = {Article}, abstract = {

Anatase TiO2 and Levyne type microporous silico alumino phosphate SAPO-35 are synthesized by using hydrothermal method. TiO2/SAPO-35 nanocomposites were prepared by sol-gel method with different weight ratios. The synthesized materials were characterized by various analytical techniques such as PXRD, SEM/EDAX, TG/DTA, BET-Surface area, FT-IR, UV-Vis, XPS, MAS-NMR and photocatalytic study. From PXRD results it clearly evidenced that, the TiO2 anatase peaks and SAPO-35 combined peaks are in the composite. The spherical shaped TiO2 nanoparticles were found to be dispersed over the rhombohedral SAPO-35 particles, which was analysed by SEM. BET-surface area analysis revealed that, the calcined SAPO-35 has the surface area of 448 m(2)/g, was decreased to 222 m(2)/g for composite which is due to the presence of TiO2 particles having surface area of 85 m(2)/g on the surface of SAPO-35. The oxidation state and co-ordination of various elements present in nanocomposite was composed by X-ray photoelectron spectroscopy. MAS-NMR analysis has shown that SAPO-35 has tetrahedral Al, P and Si oxides. Eventhough Al is unique Si and P are in two different environment namely one in S6R and another in D6R with double intensity. The photocatalytic performance of methylene blue degradation under sunlight radiation by the synthesized TiO2/SAPO-35 was analyzed. The TiO2/SAPO-35 composites degrade the methylene blue under sunlight irradiation in 25 minutes against 90 minuts for pure TiO2 anatase. A plausible mechanism on photocatalytic activity is also proposed.

}, doi = {10.1002/slct.201902134}, author = {Siliveri, Suresh and Chirra, Suman and Tyagi, Chinkit and Gandamalla, Ambedkar and Adepu, Ajay Kumar and Goskula, Srinath and Gujjula, Sripal Reddy and Venkatathri, Narayanan} } @article {46099, title = {Nickel(ii)-catalyzed direct olefination of benzyl alcohols with sulfones with the liberation of H-2}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {MAY }, pages = {6130-6133}, type = {Article}, abstract = {

A nickel(II)-catalyzed direct olefination of benzyl alcohols with sulfones to access various terminal and internal olefins with the liberation of hydrogen gas is reported.

}, issn = {1359-7345}, doi = {10.1039/c9cc02603g}, author = {Landge, Vinod G. and Yadav, Vinita and Subaramanian, Murugan and Dangarh, Pragya and Balaraman, Ekambaram} } @article {46359, title = {Non nucleoside reverse transcriptase inhibitors, molecular docking studies and antitubercular activity of thiazolidin-4-one derivatives}, journal = {Current Computer-Aided Drug Design}, volume = {15}, year = {2019}, month = {JAN}, pages = {433-444}, type = {Article}, abstract = {

Background: Management of Co-existence of Acquired immunodeficiency syndrome and Tuberculosis has become a global challenge due to the emergence of resistant strains and pill burden. Objective: Hence the aim of the present work was to design and evaluate compounds for their dual activity on HIV-1 and Tuberculosis (TB). Methods: A series of seven, novel Thiazolidin-4-one derivatives were synthesized and evaluated for their anti-HIV and anti-tubercular activity along with Molecular docking studies. All the seven compounds displayed promising activity against the replication of HIV-1 in cell-based assays. The four most active compounds were further evaluated against X4 tropic HIV-1(UG)(070) and R5 tropic HIV-1(vB59) primary isolates. The binding affinity of all the designed compounds for HIV-RT and Mycobacterium tuberculosis Enol Reductase (MTB InhA) was gauged by molecular docking studies which revealed crucial thermodynamic interactions governing their binding. Results: The CC50 values for the test compounds were in the range of, 15.08-34.9 mu g/ml, while the IC50 values were in the range of 16.1-27.13(UG(070); X4) and 12.03-23.64 (VB59; R5) mu g/ml. The control drug Nevirapine (NVP) exhibited CC50 value of 77.13 mu g/ml and IC50 value of 0.03 mu g/ml. Amongst all these compounds, compound number 3 showed significant activity with a TI value of 2.167 and 2.678 against the HIV-1 X4 and the R5 tropic virus respectively. In anti-mycobacterial screening, the compounds proved effective in inhibiting the growth of both log phase and starved MTB cultures. Conclusion: Compound 3 has been found to be active against HIV-1 as well as MTB.

}, keywords = {anti-HIV-1 activity, Antitubercular activity, human immunodeficiency virus-1, Molecular docking, Non nucleoside reverse transcriptase, thiazolidin-4-ones}, issn = {1573-4099}, doi = {10.2174/1573409915666181221102903}, author = {Chitre, Trupti S. and Patil, Shital M. and Sujalegaonkar, Anagha G. and Asgaonkar, Kalyani D. and Khedkar, Vijay M. and Garud, Dinesh R. and Jha, Prakash C. and Gaikwad, Sharddha Y. and Kulkarni, Smita and Choudhari, Amit and Sarkar, Dhiman} } @article {45598, title = {Nonoxidative dehydrogenation of methanol to methyl formate through highly stable and reusable CuMgO-based catalysts}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {JAN}, pages = {1854{\textendash}1860}, type = {Article}, abstract = {

Nonoxidative dehydrogenation of methanol to methyl formate over a CuMgO-based catalyst was investigated. Although the active site is metallic copper (Cu0), the best reaction conditions were obtained by tuning the ratio of Cu/Mg and doping the catalyst with 1 wt \% of Pd to achieve a very specific activity for methyl formate synthesis. On the basis of the CO2 temperature-programmed desorption study, the basic strength of the catalyst plays a role in the efficient conversion of methanol to methyl formate via dehydrogenation. These CuMgO-based catalysts show excellent thermal stability during the reaction and the regeneration processes. Approx. 80\% methanol conversion with constant selectivity to methyl formate was achieved even after 4 rounds of usage for a total reaction time exceeding 200 h, indicative of their potential for practical applications.

}, doi = {10.1021/acsomega.8b03069}, author = {Yuan D. J. and Hengne, A. M. and Saih, Y. and Huang, K. W.} } @article {46307, title = {Novel fatty alkene from marine bacteria: a thermo stable biosurfactant and its applications}, journal = {Journal of Hazardous Materials}, volume = {380}, year = {2019}, month = {DEC}, pages = {UNSP 120868}, type = {Article}, abstract = {

In this study, a novel thermo stable biosurfactants, 1-Pentanonacontene (C95H190) a fatty alkene and 3-Hydroxy16-methylheptadecanoic acid (C18H36O3) were isolated from a marine isolate SGD-AC-13. Biosurfactants were produced using 1\% yeast extract in tap water as production medium at 24 h in flask and 12 h in bioreactor. Using 16S rRNA gene sequence (1515 bp) and BCL card (bioMerieux VITEK (R)), strain was identified as Bacillus sp. Crude biosurfactant reduced the surface tension of distilled water to 31.32 +/- 0.93 mN/m with CMC value of 0.3 mg/ml. Cell free supernatant showed excellent emulsification and oil displacement activity with stability up to 160 degrees C, pH 6-12 and 50 g/L NaCl conc. Biosurfactants were characterized using FTIR, TLC, HPLC LC-MS and NMR spectroscopy. Cell free supernatant reduced the contact angle of distilled water droplet from 117 degrees to 52.28 degrees and of 2\% pesticide from 78.77 degrees to 73.42 degrees while 750 mu g/ml of crude biosurfactant reduced from 66.06 degrees to 56.33 degrees for 2\% pesticide and recovered 35\% ULO and 12\% HWCO from the contaminated sand. To our best of knowledge, this is the first report of thermo stable fatty alkene as a biosurfactant and is structurally different from previously reported, with having potential application in agriculture, oil recovery and bioremediation.

}, keywords = {Bioremediation, Biosurfactants, Fatty alkene, Thermo stability, Wettability}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2019.120868}, author = {Ram, Hari and Sahu, Amit Kumar and Said, Madhukar S. and Banpurkar, Arun G. and Gajbhiye, Jayant M. and Dastager, Syed G.} } @article {46270, title = {Novel synthetic approach for designing metal-free, redox-active quinoxaline-benzimidazole-based organic polymers with high energy storage capacity}, journal = {New Journal of Chemistry}, volume = {44}, year = {2019}, month = {OCT}, pages = {14806-14817}, type = {Article}, abstract = {

New organic framework materials, namely, polyphenylquinoxaline (QOP) and polyphenylquinoxaline-benzimidazole (QOP-BOP) were designed using a high-temperature (\>100 degrees C) polymerization reaction with different monomers, i.e., 2,5-bis-[(4-benzoylcarbonyl)phenyl]-3-4 diphenyl thiophene (BbcPDT), aromatic tetraamines and biphenyl dicarboxylic acid. The QOP-BOP copolymer exhibited specific capacitance (SC) of 305 F g(-1) at the current density of 2 A g(-1) and 88\% retention of its initial specific capacitance after 1000 cycles, which resulted in good cyclic stability. This work establishes the first use of thiophene integrated with quinoxaline-benzimidazole units for energy storage applications and provides strategies for further developments in the performance of such conjugated materials. Cyclic voltammetry, charge-discharge and electrochemical impedance techniques were used to evaluate the electrochemical parameters, which demonstrated their potential in future energy storage devices.

}, doi = {10.1039/c9nj02877c}, author = {Salunkhe, Pravin S. and Patil, Yuvraj S. and Dhole, Indrajeet A. and Kalshetti, Basavraj S. and Patil, Vikas B. and Mane, Shivshankar R. and Ghanwat, Anil A.} } @article {45589, title = {One-pot three-component synthesis and photophysical properties of highly fluorescent novel 4-alkyl-3-aryl-2,6-dicyanoanilines by using tris(hydroxymethyl)aminomethane as a catalyst}, journal = {Chemical Data Collections}, volume = {19}, year = {2019}, month = {FEB}, pages = {Article No: 100172}, type = {Article}, abstract = {Novel 4-alkyl-3-aryl-2,6-dicyanoanilines were synthesized by a multi-component one-step reaction of aromatic aldehyde, malononitrile and aliphatic aldehyde using tris(hydroxymethyl)aminomethane (THAM) as a catalyst under microwave (MW) irradiation or conventional heating. The optimized reaction condition involved use of 2.5 equivalents of THAM under MW irradiation at 140 W using 20\% MW power for 5 min or conventional heating at 80 {\textdegree}C for 8 h in dimethylformamide. The photophysical properties including λmax, quantum yield and Stokes{\textquoteright} shifts of newly synthesized molecules were studied. All compounds exhibited quantum yield in the range of 0.04{\textendash}0.52 with respect to standard quinine sulphate having quantum yield 0.54. The Stokes{\textquoteright} shifts of all compounds were found in the range of 41{\textendash}105 nm. The current strategy provides operationally simple protocol using THAM as a catalyst to synthesize 4-alkyl-3-aryl-2,6-dicyanoanilines with diverse structural features to make them available for exploration of their photophysical as well as biological applications.}, doi = {10.1016/j.cdc.2018.100172}, author = {Kudale, A. S. and Kamble, S. B. and Gore, A. H. and Pisal, M. M. and Salokhe, A. T. and Kolekar, G. B. and Helavi, V. B.} } @article {46317, title = {Ortho-oxygenative 1,2-difunctionalization of diarylalkynes under merged gold/organophotoredox relay catalysis}, journal = {Chemistry-An Asian Journal}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {

Reported herein is an ortho-oxygenative 1,2-difunctionalization of diarylalkynes under merged gold/organophotoredox catalysis to access highly functionalized 2-(2-hydroxyaryl)-2-alkoxy-1-arylethan-1-ones. Detailed mechanistic studies suggested a relay process, initiating with gold-catalyzed hydroalkoxylation of alkynes, to generate enol-ether followed by a key formal [4+2]-cycloaddition reaction. The successful application of the present methodology was also shown for the synthesis of benzofurans.

}, keywords = {binary catalyst system, Gold catalysis, organocatalyst, photoredox, synthetic methodology}, issn = {1861-4728}, doi = {10.1002/asia.201901275}, author = {Sancheti, Shashank P. and Akram, Manjur O. and Roy, Rupam and Bedi, Vaibhav and Kundu, Shubhankar and Patil, Nitin T.} } @article {46277, title = {Oxidative Olefination of Benzylamine with an Active Methylene Compound Mediated by Hypervalent Iodine (III)}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {SEP}, type = {Article}, abstract = {

Hypervalent iodine-mediated oxidative olefination of amines with an active methylene compound provides a rapid gateway towards the formation of electrophilic alkenes under mild reaction conditions in good to excellent yields. This is an efficient protocol for the preparation of substituted electrophilic alkenes.

}, doi = {10.1002/ejoc.201900970}, author = {Rupanawar, Bapurao D. and Veetil, Sruthi M. and Suryavanshi, Gurunath} } @article {46349, title = {Oxone promoted dehydrogenative Povarov cyclization of N-aryl glycine derivatives: an approach towards quinoline fused lactones and lactams}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {SEP }, pages = {30277-30291}, type = {Article}, abstract = {

Oxone promoted intramolecular dehydrogenative imino Diels-Alder reaction (Povarov cyclization) of alkyne tethered N-aryl glycine esters and amides has been explored, thus affording biologically significant quinoline fused lactones and lactams. The reaction is simple, scalable, and high yielding (up to 88\%). The method was further extended to prepare biologically important luotonin-A analogues and the quinoline core of uncialamycin.

}, doi = {10.1039/c9ra06212b}, author = {More, Devidas A. and Shinde, Ganesh H. and Shaikh, Aslam C. and Muthukrishnan, M.} } @article {46139, title = {Palladium impregnated amine Co-condensed hexagonal mesoporous silica: a novel catalyst in tailoring suzuki and heck coupling reactions in base free condition}, journal = {ChemistrySelect}, volume = {4}, year = {2019}, month = {APR }, pages = {3823-3832}, type = {Article}, abstract = {

Palladium impregnated amine co-condensed hexagonal mesoporous silicas (HMS-X) were synthesized (sol-gel process) using different amines (Ethylene diamine and pyridine) of various concentrations (0.25 equiv. and 2 equiv.). The effect of amine concentration on the local structure of hexagonal mesoporous silica was studied. The catalyst shows excellent catalytic activity and high TOF towards both Suzuki and Heck coupling reactions without using any base in reaction medium with the solvent DMF:water in (1:1) ratio. The catalyst was reused and it was recyclable up to three cycle without any appreciable loss of activity and the kinetics of the reaction varying different parameters also have been studied thoroughly.

}, keywords = {Amine functionalized silica, Base free, Heck reaction, Palladium supported catalysts, Suzuki reaction}, issn = {2365-6549}, doi = {10.1002/slct.201803485}, author = {Das, Prangya Paramita and Prabhakaran, Vinod C. and Nanda, Samik and Sen, Debasis and Chowdhury, Biswajit} } @article {46438, title = {Pathways to defense metabolites and evading fruit bitterness in genus Solanum evolved through 2-oxoglutarate-dependent dioxygenases}, journal = {Nature Communications}, volume = {10}, year = {2019}, month = {NOV}, pages = {5169}, type = {Article}, abstract = {

The genus Solanum comprises three food crops (potato, tomato, and eggplant), which are consumed on daily basis worldwide and also producers of notorious anti-nutritional steroidal glycoalkaloids (SGAs). Hydroxylated SGAs (i.e. leptinines) serve as precursors for leptines that act as defenses against Colorado Potato Beetle (Leptinotarsa decemlineata Say), an important pest of potato worldwide. However, SGA hydroxylating enzymes remain unknown. Here, we discover that 2-OXOGLUTARATE-DEPENDENT-DIOXYGENASE (2-ODD) enzymes catalyze SGA-hydroxylation across various Solanum species. In contrast to cultivated potato, Solanum chacoense, a widespread wild potato species, has evolved a 2-ODD enzyme leading to the formation of leptinines. Furthermore, we find a related 2-ODD in tomato that catalyzes the hydroxylation of the bitter a-tomatine to hydroxytomatine, the first committed step in the chemical shift towards downstream ripening-associated non-bitter SGAs (e.g. esculeoside A). This 2-ODD enzyme prevents bitterness in ripe tomato fruit consumed today which otherwise would remain unpleasant in taste and more toxic.

}, issn = {2041-1723}, doi = {10.1038/s41467-019-13211-4}, author = {Cardenas, Pablo D. and Sonawane, Prashant D. and Heinig, Uwe and Jozwiak, Adam and Panda, Sayantan and Abebie, Bekele and Kazachkova, Yana and Pliner, Margarita and Unger, Tamar and Wolf, Dalia and Ofner, Itai and Vilaprinyo, Ester and Meir, Sagit and Davydov, Olga and Gal-On, Amit and Burdman, Saul and Giri, Ashok and Zamir, Dani and Scherf, Tali and Szymanski, Jedrzej and Rogachev, Ilana and Aharoni, Asaph} } @article {47165, title = {pH-responsive {\textquotedblleft}supra-amphiphilic{\textquotedblright} nanoparticles based on homoarginine polypeptides}, journal = {ACS Applied Bio Materials}, volume = {2}, year = {2019}, month = {AUG}, pages = {4162{\textendash}4172}, type = {Article}, abstract = {

pH-responsive {\textquotedblleft}supra-amphiphiles{\textquotedblright} based on double hydrophilic, positively charged block copolypeptides such as PEG-b-poly-l-lysine together with low molecular weight stimuli-sensitive partners that contain phosphate and carboxylate groups have been widely studied. In contrast, the other widely used cationic polypeptide poly-l-arginine whose cell-penetrating properties are well-known has been much less explored for the synthesis of supra-amphiphile-based nanomaterials. It is also known that the guanidine side chain of arginine binds to carboxylate anions with binding constants that are 2.5 times higher than the corresponding amines of poly-l-lysine. Here, we demonstrate the fabrication of pH-sensitive supra-amphiphilic nanoparticles by simple mixing of PEG2k-b-poly(homoarginine) block copolymer and carboxylic acid containing functional low molecular weight organic compounds. A high yielding three-step methodology was developed for the synthesis of ε-N,N'-di-Boc-l-homoarginine-α-N-carboxyanhydride which was polymerized using amine-terminated PEG (2000 MW) to yield 100\% guanine-functionalized polypeptide (PEG2k-b-PHR30) with controlled molecular weights and low PDIs. Incubation of PEG2k-b-PHR30 with four different carboxylic acids (including dexamethasone a glucocorticoid receptor used in cancer therapy) in water leads to the formation of {\textquotedblleft}supra-amphiphilic{\textquotedblright} nanoparticles (\<200 nm size) due to the charge neutralization resulting from the strong interaction between the guanidine group and the carboxylate group. All these nanoparticles were able to encapsulate the hydrophobic dye Nile red with varying efficiency. Although these assemblies were stable at neutral pH, upon lowering the pH of the solution between 4 and 5, the protonation of the carboxylic acids leads to disassembly of these nanoparticles. The cytotoxicity of all four {\textquotedblleft}supra-amphiphilic{\textquotedblright} nanoparticles varied depending on the carboxylic acid used for their fabrication. While the nanoparticle formed using dioctylbenzoic acid displayed 80\% cell viability at concentration of 60 μg/mL, those formed with the steroid deoxycholic acid or dexamethasone showed only 40\% cell viability at similar concentrations. Colocalization studies performed using epifluorescence microscopy demonstrate the successful uptake of intact dye-encapsulated nanoparticle inside the cell.

}, doi = {10.1021/acsabm.9b00432}, author = {Praveen, Korra and Das, Soumen and Dhaware, Vinita and Pandey, Bhawana and Mondal, Basudeb and Sengupta, Sayam} } @article {45536, title = {Phytochemical profile, anti-oxidant, anti-inflammatory, and anti-proliferative activities of Pogostemon deccanensis essential oils}, journal = {3 Biotech}, volume = {9}, year = {2019}, month = {JAN}, pages = {31}, type = {Article}, abstract = {

Essential oils (EOs) obtained from aerial parts of Pogostemon deccanensis were analyzed for GC-MS profiling, and evaluated for antioxidant, anti-inflammatory, and anti-proliferative activities. GC-MS analysis revealed a total of 47 constituents, establishing the EOs rich in sesquiterpene with \>20 sesquiterpenes constituting around 77\% of the total EO yield. Major constituents included Curzerene (Benzofuran, 6-ethenyl-4,5,6,7-tetrahydro-3,6-dimethyl-5-isopropenyl-, trans-) (26.39\%) and epi-Cadinol (22.68\%), Ethanone, 1-(2,4,6-trihydroxyphenyl) (6.83\%, Acetophenones), and Boldenone (3.47\%, anabolic steroid). EOs found to be rich in phytochemicals attributed for antioxidant potentials of aromatic/medicinal plants, viz., flavonoids (2.71 mu g quercetin equivalents g(-1) EO), total phenols (3.94 mu g gallic acid equivalents (GAE) g(-1) EO), carotenoids (14.3 mu g -carotene equivalents g(-1) EO), and ascorbic acid (2.21 mu g ascorbic acid equivalents g(-1) EO). P. deccanensis EOs exhibited striking antioxidant activities assessed by wide range of assays including ferric reducing antioxidant potential (FRAP, 255.3 GAE at 2 mu g mL(-1) EO), total antioxidant activity (TAA, 264.3 GAE at 2 mu g ml(-1)) of EO, DPPH (65\% inhibition at 2 mu g mL(-1)), and OH (58\% inhibition at 2 mu g mL(-1)) scavenging. Interestingly, EOs showed considerably higher anti-lipid peroxidation activity than the standard antioxidant molecule ascorbic acid, with 50\% protection by 1.29 mu g mL(-1) EO against 20.0 mu g mL(-1) standard. EOs showed strong anti-inflammatory activity with 50\% inhibition at 1.95 mu g mL(-1) EO. The anti-proliferative activity of EOs was tested against mouse cancer cell line and the EOs proved a potent anti-proliferative agent with only 2.1\% cell survival at 2 mu g mL(-1) EO, whereas the EOs were largely non-toxic-to-normal (non-cancerous) cells with approximately 80\% cell survival at the 2 mu g mL(-1) EOs. This being the first attempt of phytochemical profiling and wide array of biological activities of P. deccanensis EOs holds significance as the striking activities were observed at very low concentrations, in some cases at lower than the commercial standards, and has, therefore, great potential for pharmaceutical or commercial exploration.

}, keywords = {Anti-inflammatory activity, Anti-proliferative activity, Antioxidants, Cytotoxicity, Essential oils}, issn = {2190-572X}, doi = {10.1007/s13205-018-1560-0}, author = {Kumar, Vinay and Shriram, Varsha and Bhagat, Rani and Khare, Tushar and Kapse, Shivanjali and Kadoo, Narendra} } @article {46049, title = {Phyto-inspired cyclic peptides derived from plant Pin-II type protease inhibitor reactive center loops for crop protection from insect pests}, journal = {Biochimica ET Biophysica Acta-General Subjects}, volume = {1863}, year = {2019}, month = {AUG}, pages = {1254-1262}, type = {Article}, abstract = {

Background: Natural defence of plants against insect pests involves protease inhibitors (PIs) that interfere with insect digestive proteases. Pin-II type plant PIs are wound inducible upon insect damage and possess multiple inhibitory repeat domains that can inhibit trypsin and chymotrypsin-like proteases in the insect midgut. Yet, their agricultural ex-vivo application is limited due to large molecular size and environmental instability, which could be overcome by small peptides. Methods: Bicyclic peptides were designed by grafting Pin-II PIs derived reactive center loop (RCL) on synthetic tris(bromomethyl)benzene scaffold. In vitro binding with trypsin-like proteases was evaluated by biochemical and biophysical assays, followed by molecular dynamics simulations. In vivo effects on two major lepidopteran insect pests, Helicoverpa armigera and Spodoptera litura were studied upon feeding with peptide treated leaves. Affinity based pull down assays were used to identify target proteins in insect gut. Results: Bicyclic RCLs showed ten-fold enhanced protease inhibition compared to their linear counterparts. They exhibited feeding deterrence and growth reduction of lepidopteran insects. Bicyclic peptides predominantly interact with midgut serine proteases. Possible binding modes involve simultaneous interaction with the active site and specificity-determining residues of insect gut trypsin. Conclusion: Bicyclic peptides are potent inhibitors of serine proteases in the insect midgut. They cause feeding aversion and larval growth retardation. Bi-domain cyclic peptides interact with two sites on trypsin, leading to enhanced efficacy over linear RCL peptides. General significance: Bicyclic peptides mimic natural PIs by inhibiting insect proteases leading to growth reduction, thus, could be used as pest control molecules in agriculture.

}, keywords = {Cyclic peptide, Lepidoptera, Pest control, protease inhibitor, Reactive loop}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2019.05.003}, author = {Sailthedkar, Nidhi S. and Joshi, Rakesh S. and Yadav, Amit K. and Seal, Shubhendu and Fernandes, Moneesha and Giri, Ashok P.} } @article {46421, title = {pi-Extended cis-configured unsynimetrical squaraine dyes for dye-sensitized solar cells: panchromatic response}, journal = {ACS Applied Energy Materials}, volume = {2}, year = {2019}, month = {DEC}, pages = {8464-8472}, type = {Article}, abstract = {

{Light absorbing sensitizer is the heart of the third generation photovoltaic technologies such as dye sensitized solar cells. Despite possessing large extinction coefficients for the metal-free organic dyes, the light harvesting efficiency is limited with the narrow absorption 20 profile in either visible or NIR regions of the solar spectrum. Though monolayer formation of organic sensitizers on semiconducting metal oxide surface leads to dye-dye interaction that leads to broadening the absorption profile, the contribution of the aggregated state to the power conversion process is found out to be poor. Here, we have engineered far-red active pi-extended cis-configured unsymmetrical squaraine dyes with carboxylic acid and cycnoacetic acid as anchoring groups with controlled aggregation and panchromatic light absorption by including the steric and electronic factors. The presence of sp(3)-C (out-of-plane) and N-alkyl (in-plane) groups played an important role in modulating the assembly of the dyes on the TiO2 electrode; the cis-squaraine unit helps to extend the conjugation in the NIR region besides enhancing the visible transition and the incident photon-to-current conversion efficiency profile that showed the importance of anchoring groups for the panchromatic response. Dye PSQ10 showed solar-to electric conversion with an onset of 850 nm with the device performance of 7.0\% (V-oc = 0.581 V, J(sc) = 17.06 mA/cm(2)

}, keywords = {cis-squaraine dyes, Dye aggregation, Dye-sensitized solar cells, extended far-red absorption, panchromatic response}, issn = {2574-0962}, doi = {10.1021/acsaem.9b01341}, author = {Punitharasu, Vellimalai and Kavungathodi, Munavvar Fairoos Mele and Singh, Ambarish Kumar and Nithyanandhan, Jayaraj} } @article {46308, title = {Polylactic acid: synthesis and biomedical applications}, journal = {Journal of Applied Microbiology}, volume = {127}, year = {2019}, month = {DEC}, pages = {1612-1626}, type = {Review}, abstract = {

Social and economic development has driven considerable scientific and engineering efforts on the discovery, development and utilization of polymers. Polylactic acid (PLA) is one of the most promising biopolymers as it can be produced from nontoxic renewable feedstock. PLA has emerged as an important polymeric material for biomedical applications on account of its properties such as biocompatibility, biodegradability, mechanical strength and process ability. Lactic acid (LA) can be obtained by fermentation of sugars derived from renewable resources such as corn and sugarcane. PLA is thus an eco-friendly nontoxic polymer with features that permit use in the human body. Although PLA has a wide spectrum of applications, there are certain limitations such as slow degradation rate, hydrophobicity and low impact toughness associated with its use. Blending PLA with other polymers offers convenient options to improve associated properties or to generate novel PLA polymers/blends for target applications. A variety of PLA blends have been explored for various biomedical applications such as drug delivery, implants, sutures and tissue engineering. PLA and their copolymers are becoming widely used in tissue engineering for function restoration of impaired tissues due to their excellent biocompatibility and mechanical properties. The relationship between PLA material properties, manufacturing processes and development of products with desirable characteristics is described in this article. LA production, PLA synthesis and their applications in the biomedical field are also discussed.

}, keywords = {Biocompatible, biodegradable, drug delivery, implants, l- and d-lactic acid, polylactic acid}, issn = {1364-5072}, doi = {10.1111/jam.14290}, author = {Singhvi, M. S. and Zinjarde, S. S. and Gokhale, D. V.} } @article {47174, title = {Population genetic and phytochemical dataset of Saraca asoca: a traditionally important medicinal tree}, journal = {Data in Brief}, volume = {25}, year = {2019}, month = {AUG}, pages = {104173}, type = {Article}, abstract = {

The data presented in this article is in support of the research paper {\textquotedblleft}Genetic and phytochemical investigations for understanding population variability of the medicinally important tree Saraca asoca to help develop conservation strategies{\textquotedblright} Hegde et\ al., 2018. This article provides PCR based Inter-Simple Sequence Repeat (ISSR) and HPLC datasets of 106 individual samples of Saraca asoca collected from various geographical ranges of the Western Ghats of India. The ISSR data includes information on genetic diversity and images of population structures generated through amplified DNA products from samples of Saraca asoca leaf. Phytochemical data obtained from HPLC includes concentration (mg/g) of gallic acid (GA), catechin (CAT), and epicatechin (EPI). The data also presents information obtained from various statistical analysis viz. standard error of the mean values, distribution variables, prediction accuracy, and multiple logistic regression analysis.

}, doi = {10.1016/j.dib.2019.104173}, author = {Hegde, Satisha and Pai, Sandeep Ramchandra and Bhagwat, Rasika M. and Sainia, Archana and Rathore, Poonam Kanwar and Jalalpure, Sunil Satyappa and Hegde, Harsha Vasudev and Sugunan, Attayoor Purushottaman and Gupta, Vidya S. and Kholkute, Sanjiva D. and Roy, Subarna} } @article {46427, title = {Preparation and activity of copper-gallium nanocomposite catalysts for carbon dioxide hydrogenation to methanol}, journal = {Industrial \& Engineering Chemistry Research}, volume = {58}, year = {2019}, month = {NOV}, pages = {21331-21340}, type = {Article}, abstract = {

Copper (Cu) nanocomposite catalysts with gallium (Ga) and aluminum (Al) were prepared using the simultaneous coprecipitation digestion method. The catalysts were characterized by N-2 adsorption, N2O titration, XRD (X-ray diffraction), H-2-TPR (H-2 temperature-programmed reduction), XPS (X-ray photoelectron spectroscopy), and CO2-TPD (CO2 temperature-programmed desorption) techniques, and CO2 hydrogenation to methanol synthesis was performed. The use of Ga in Cu catalysts enhanced the weak basic sites more than the Cu catalysts with Al. With the CuGa nanocomposite formation, the catalyst showed a sequential reduction of CuO, for example, Cu+2 to Cu+ to Cu-0, and the Cu surface area was also high in comparison with CuAl. These findings confirmed that both the Cu surface area and CuO reducibility in the catalyst helped to boost the conversion of CO2, whereas selectivity to methanol was associated with the basicity of the catalyst. CuAl catalysts showed very poor selectivity to methanol despite CO formation, which could be due to the weak interaction of the CuAl nanocomposite catalysts compared to the CuGa nanocomposite catalysts.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.9b04083}, author = {Hengne, Amol M. and Yuan, Ding Jier and Date, Nandan S. and Saih, Youssef and Kamble, Sanjay P. and Rode, V. Chandrashekhar and Huang, Kuo-Wei} } @article {46140, title = {Pressure-induced phase transitions in germanium telluride: raman signatures of anharmonicity and oxidation}, journal = {Physical Review Letters}, volume = {122}, year = {2019}, month = {APR }, pages = {145701}, type = {Article}, abstract = {

Pressure-induced phase transitions in GeTe, a prototype phase change material, have been studied to date with diffraction which is not sensitive to anharmonicity-induced dynamical effects. GeTe is also prone to surface oxidation which may compromise surface sensitive measurements. These factors could be responsible for the lack of clarity about the phases and transitions intervening in the phase diagram of GeTe. We have used high-pressure Raman scattering and ab initio pseudopotential density functional calculations to unambiguously establish the high-pressure phase diagram and identify three phases up to 57 GPa, a low-pressure rhombohedral phase, an intermediate pressure cubic phase, and a high-pressure orthorhombic phase. We detect substantial broadening and softening of Raman modes at low pressure and identify the transition regions and possible intermediate phases.

}, issn = {0031-9007}, doi = {10.1103/PhysRevLett.122.145701}, author = {Pawbake, Amit and Bellin, Christophe and Paulatto, Lorenzo and Beneut, Keevin and Biscaras, Johan and Narayana, Chandrabhas and Late, Dattatray J. and Shukla, Abhay} } @article {46412, title = {Probing the catalytic activity of pristine and doped Pd and Ni metal clusters towards H2O molecule}, journal = {Computational and Theoretical Chemistry}, volume = {1170}, year = {2019}, month = {DEC }, pages = {112624}, type = {Article}, abstract = {

Electrolysis of H2O to produce molecular hydrogen, the most environment friendly and energy efficient fuel, using cost effective catalysts is one of the major global research challenges. To date, Pt remains the best suitable and yet highly expensive electro-catalyst for hydrogen evolution reaction. Design of an alternative cost-effective catalyst requires a fundamental molecular level understanding of the water molecule adsorption and its activation. In that context, we examine the adsorption and activation of water molecule on model alternative catalysts namely, Ni-6 and Pd-6 clusters using density functional theory based methodology. Ni-6 and Pd-6 clusters and their singly doped counterparts are used for this study. Mo, W, Fe, Co and Cu are used as doping elements. To quantify the influence of medium (neutral and alkaline) on the activation of the water molecule, Ni based clusters are considered in neutral and anionic states, respectively. The activity of these clusters towards H2O molecule is evaluated in terms of the adsorption energy, charge transfer, bandgap, red shift in O-H stretching frequency and dissociation barriers for H2O. The studies demonstrate that doping with Co in all the studied clusters (Pd-6, Ni-6 and anionic Ni-6) increases their activity. Best activity is noted for Fe doped neutral Ni b clusters with a dissociation barrier of 5.76 kcal/mol.

}, keywords = {Activation barrier, Ni clusters, O-H activation, Pd clusters, Red shift of O-H stretching frequency, Water adsorption}, issn = {2210-271X}, doi = {10.1016/j.comptc.2019.112624}, author = {Samal, Pragnya Paramita and Joshi, Krati and Kaliaperumal, Selvaraj and Krishnamurty, Sailaja} } @article {46352, title = {Proline catalyzed sequential alpha-amination/ Prins/ Ritter amidation of aldehydes: new method of construction of tetrahydropyran units}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {58}, year = {2019}, month = {SEP}, pages = {1019-1028}, type = {Article}, abstract = {

An efficient {\textquoteleft}{\textquoteleft}one-pot{\textquoteright}{\textquoteright} synthetic method toward highly substituted tetrahydrofuran (THP) units is reported. The key transformation involves an atom-efficient sequential proline catalyzed alpha-amination of aldehydes to give alpha-aminated aldehydes in situ and the subsequent cyclomerization with homoallylic alcohols under Prins/Ritter conditions. Notably, this method provides access to enantiopure 1,2-syn and 1,4-anti diamino alcohols via reductive ring opening of THP units.

}, keywords = {alpha-aminoxylation, organocatalysis, Proline catalyzed, sequential, tetrahydropyran unit}, issn = {0376-4699}, author = {Ahuja, Brijbhushan and Gadakh, Sunita and Sudalai, Arumugam} } @article {46158, title = {Promising visible-light driven hydrogen production from water on a highly efficient CuCo2S4 nanosheet photocatalyst}, journal = {Journal of Materials Chemistry A}, volume = {7}, year = {2019}, month = {MAR }, pages = {6985-6994}, type = {Article}, abstract = {

Here we report the development of CuCo2S4 nanosheets (NSs) as a promising semiconductor photocatalyst for the first time for water splitting reactions under visible light ( 420 nm) conditions, without the support of any noble metal co-catalyst. These NSs were produced via a simple hydrothermal route and have desirable properties with a band gap of 2.24 eV, and are photo-catalytically active under visible light with an apparent quantum yield (AQY) of 2.48\%. Under visible light, CuCo2S4 NSs exhibit excellent weight-normalized photoactivity that generates approximate to 25900 mol h(-1) H-2 for 1 g of material with sulphide + sulphite as the sacrificial agent under 7.68 mW cm(-2) illumination, which is the best evolution reported for any chalcogenide semiconductor material without any co-catalyst to date with unprecedented long-term operational stability (up to 12 h study time). The rate and number of hydrogen gas molecules produced are 8.2855 x 10(15) s(-1) cm(-2) which remained constant for three catalytic cycles with a turnover frequency (TOF) value of 0.017 s(-1). The effect of Cu substitution on photoactivity was also investigated for comparative studies and it was found that CuCo2S4 NSs show superior activity to Cu0.5Co2.5S4 and Co3S4. These CuCo2S4 NSs absorb the entire visible range of the spectrum from 420 to 800 nm, and have a highly populated density of states at the Fermi level and a high donor concentration of 7.22 x 10(18) cm(-3) which have been evaluated by Mott-Schottky analysis and favourable adsorption of H+ on S-sites and conversion to H-2 corroborate their efficient photocatalytic activity.

}, issn = {2050-7488}, doi = {10.1039/c9ta00391f}, author = {Chauhan, Meenakshi and Soni, Kiran and Karthik, P. E. and Reddy, Kasala Prabhakar and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {46242, title = {Protein-capped metal nanoparticles inhibit tau aggregation in alzheimer{\textquoteright}s disease}, journal = {Acs Omega}, volume = {4}, year = {2019}, month = {JULY}, pages = {12833-12840}, type = {Article}, abstract = {

The Alzheimer{\textquoteright}s disease (AD) therapeutic research is yielding a large number of potent molecules. The nanoparticle-based therapeutics against the protein aggregation in AD is also taking a lead especially with amyloid-beta as a primary target. In this work, we have screened for the first time protein-capped (PC) metal nanoparticles for their potency in inhibiting Tau aggregation in vitro. We present a novel function of PC-Fe3O4 and PC-CdS nanoparticles as potent Tau aggregation inhibitors by fluorescence spectrometry, sodium dodecyl sulfate-polyacrylamide gel electrophoresis, and electron microscopy. We demonstrate that the biologically synthesized PC-metal nanoparticles, especially iron oxide do not affect the viability of neuroblastoma cells. Moreover, PC-CdS nanoparticles show dual properties of inhibition and disaggregation of Tau. Thus, the nanoparticles can take a lead as potent Tau aggregation inhibitors and can be modified for specific drug delivery due to their very small size. The current work presents unprecedented strategy to design anti-Tau aggregation drugs, which provides interesting insights to understand the role of biological nanostructures in Alzheimer{\textquoteright}s disease.

}, doi = {10.1021/acsomega.9b01411}, author = {Sonawane, Shweta Kishor and Ahmad, Absar and Chinnathambi, Subashchandrabose} } @article {46020, title = {Pyridine immobilised on magnetic silica as an efficient solid base catalyst for Knoevenagel condensation of furfural with acetyl acetone}, journal = {Catalysis Communications}, volume = {124}, year = {2019}, month = {MAY }, pages = {81-85}, type = {Article}, abstract = {

Novel heterogeneous pyridine immobilised magnetic silica (Fe3O4@SiO2-Py) was found to be an efficient, greener and heterogeneous solid base catalyst for the Knoevenagel condensation of furfural with acetylacetone under optimized reaction conditions. The Knoevenagel condensation product 3-(2-furylmethylene)-2,4-pentanedione (FMP), a jet fuel precursor, was produced in high yield of 85\% with 94\% conversion of furfural at 100 degrees C within a period of 4 h. Fe3O4@SiO2-Py catalyst showed excellent stability and recyclability without losing its initial activity.

}, keywords = {furfural, Jet fuel, Knoevenagel condensation, Silica immobilised pyridine, Solid base}, issn = {1566-7367}, doi = {10.1016/j.catcom.2019.03.005}, author = {Tarade, Komal and Shinde, Suhas and Sakate, Sachin and Rode, Chandrashekhar} } @article {46007, title = {Quantification of niclosamide polymorphic forms - a comparative study by Raman, NIR and MIR using chemometric techniques}, journal = {Talanta}, volume = {199}, year = {2019}, month = {JUL }, pages = {679-688}, type = {Article}, abstract = {

Niclosamide, an anthelmintic drug recently repurposed for its activity against cancer, crystallizes into three solvated forms, two monohydrates (NHa, NHb) and one anhydrous (NAn) form. NAn is sensitive to pseudopolymorphic transformations that affect its dissolution and consequently, its bioavailability. NAn exhibits a polymorphic conversion to metastable monohydrate (NHa) form during high-energy milling in presence of poorly soluble solvents like water. It is hence very important to quantify polymorphic conversion from NAn to NHa, as water is a commonly used solvent during various processing like ball milling and wet granulation. This main objective of the study was to examine the feasibility of Raman, NIR and MIR spectroscopic techniques for identification and quantification of polymorphic forms of niclosamide in binary mixtures and multicomponent mixtures. Calibration models were developed and validated by vibrational spectroscopic techniques in binary mixtures of NAn and NHa and in multicomponent mixtures by chemometric techniques. These techniques were further used to identify and quantify NHa during ball milling, granulation and in presence of other polymorphic forms of niclosamide. Identification and quantification of pseudopolymorphs in binary and multicomponent mixtures with an acceptable recovery of 100.13-102.99\% for Raman and 100.07-101.28\% for NIR with low \% RSD of 2.38-3.12 for both techniques were obtained. The \% NHa determined during ball milling and granulation was similar by NIR and Raman. Raman spectroscopy however showed a greater advantage over other techniques in determining the NHa in presence of NHb due to significant difference in the spectral region of hydrates, when compared to NIR and MIR.

}, keywords = {Ball milling, Granulation, MSC, PLS, Polymorphic conversion, spectroscopy}, issn = {0039-9140}, doi = {10.1016/j.talanta.2019.03.027}, author = {Bhavana, Valmala and Chavan, Rahul B. and Mannava, M. K. Chaitanya and Nangia, Ashwini and Shastri, Nalini R.} } @article {45569, title = {Rapid and greener method for utilization of plaster of paris (POP) waste generated from biomedical samples}, journal = {International Journal of Environmental Science and Technology}, volume = {16}, year = {2019}, month = {OCT}, pages = {2475-2480}, type = {Article}, abstract = {

Plaster of Paris (POP) is one of the recalcitrant wastes generated from dentistry and orthopaedic materials used in healthcare sector. The current practice of disposal of POP waste-harbouring biomedical material by incineration is very critical and environmentally unfriendly. The eco-friendly and rapid disintegration of such biomedical-related POP waste was done by treating with ammonium bicarbonate solution (20\% w/v ABC) to form non-hazardous products like ammonium sulphate and calcium carbonate in the form of sludge. The ammonium sulphate (NH4)2SO4 is generally used in agriculture as a chemical fertilizer and calcium carbonate (CaCO3) as an additive in construction sector making this process cost-effective and value addition. Interestingly, 20\% ABC solution also had significant antibiofilm, antimicrobial activity against fungi, yeast and bacterial strains probably due to its high pH-driven osmotic effect. Therefore, 20\% ABC solution finds dual eco-friendly application in disinfection of used POP, especially arising from biomedical waste from patients.

}, keywords = {Biomedical waste, Eco-friendly disintegration, Plaster of Paris waste}, issn = {1735-1472}, doi = {10.1007/s13762-018-2070-7}, author = {Navale, G.R. and Gohil, K.N. and Puppala, K.R. and Shinde, S.S. and Umbarkar, S. and Dharne, M.S.} } @article {46358, title = {Recursive partitioning analysis and anti-tubercular screening of 3-aminopyrazine-2-carbohydrazide derivatives}, journal = {Letters in Drug Design \& Discovery}, volume = {16}, year = {2019}, month = {APR}, pages = {1264-1275}, type = {Article}, abstract = {

Background: Treating tuberculosis is a challenge due to the development of drug resistance. Hence, it is imperative to develop novel leads having high potency and efficacy to curb drug resistance. Methods: The present research work is focused on microwave-assisted synthesis of novel twenty-six 3-amino-N{\textquoteright}-benzylidenepyrazine-2-carbohydrazide derivatives (3a-z), where, lyophilization technique was used for isolation of the major intermediate, 3-aminopyrazin-2-carbohydrazide. All synthesized compounds were subjected for anti-tubercular screening against Mycobacterium tuberculosis H37Ra by using XTT Reduction Menadione Assay (XRMA) protocol. Results: Out of 26 synthesized compounds, four N{\textquoteright}-substitutedbenzaldehyde-3-amino-pyrazine-2-carbohydrazide derivatives viz. 3i, 3j 3v and 3z showed significant activity against M. tuberculosis H37Ra. The compounds 3i, 3j, 3v and 3z showed 99, 98, 92 and 87 \% inhibition respectively as compared to 94\% inhibition shown by the standard drug rifampicin. The MIC and IC50 values were in the range of 24.3-110 and 5.9-20.8 mu g/ml respectively. Conclusion: A classification model called Recursive Partitioning (RP) based on binary Quantitative Structure-Activity Relationship (QSAR) was derived for the establishment of structure-activity relationship (SAR). The predictions derived on the basis of RP model were found to be in agreement with anti-tubercular screening data.

}, keywords = {3-aminopyrazine, anti-tubercular activity, Carbohydrazide, lyophilization, QSAR, recursive partitioning}, issn = {1570-1808}, doi = {10.2174/1570180816666190329222636}, author = {Miniyar, Pankaj and Mahajan, Anand and Anuse, Dattatray and Kumar, Ashish and Barmade, Mahesh and Sarkar, Dhiman and Arkile, Manisha and Khedkar, Vijay} } @article {46332, title = {Regioselective one-pot synthesis of 3-fluoro-imidazo[1,2-a]pyridines from styrene}, journal = {Asian Journal of Organic Chemistry}, year = {2019}, month = {OCT}, type = {Article; Early Access}, abstract = {

A one-pot synthesis of C-3 fluorinated imidazopyridines (F-IMPY) is reported under the additive-free conditions from commercially available styrene and 1-fluoropyridinium tetrafluoroborate as a fluorine source. The substrate styrene undergoes keto-bromination/condensation/fluorination transformation in three sequential steps to furnish F-IMPY. This one-pot synthesis method exhibits broad substrate scope and good functional group tolerance with a good yield (up to 82\%).

}, keywords = {fluorination, imidazopyridines (F-IMPY), One-pot synthesis}, issn = {2193-5807}, doi = {10.1002/ajoc.201900521}, author = {Said, Madhukar S. and Mishra, Ankita and Pandole, Satish and Nayak, Rashmi A. and Kumar, Pradeep and Gajbhiye, Jayant M.} } @article {46056, title = {Regioselective oxidation of indoles to 2-oxindoles}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {JUL}, pages = {6671-6677}, type = {Article}, abstract = {

Facile regioselective oxidation of indoles to 2-oxindoles promoted by sulfuric acid adsorbed on silica gel is reported. The demonstrated practical site-selective heterogeneous oxidation reactions conveniently take place with a broad substrate scope and functional group tolerances. The present oxidation strategy is also employed to accomplish the total synthesis of natural products donaxaridine and donaxarine. On the basis of analytical and spectral data it is evidenced that donaxarine stays in equilibrium with its hydrated ring opened form. The structural features essential for this type of oxidation and plausible mechanism are discussed in brief.

}, issn = {1477-0520}, doi = {10.1039/c9ob00764d}, author = {Shelar, Santosh V. and Argade, Narshinha P.} } @article {46045, title = {Resolving the conformational dynamics of ErbB growth factor receptor dimers}, journal = {Journal of Structural Biology}, volume = {207}, year = {2019}, month = {AUG }, pages = {225-233}, type = {Article}, abstract = {

The combinatorial dimerization of the ErbB growth factor receptors (ErbB(1) - ErbB(4)) are critical for their function. Here, we have characterized the conformational dynamics of ErbB transmembrane homo-dimers and hetero-dimers by using a coarse-grain simulation framework. All dimers, except ErbB (4-4) and ErbB(1-4), exhibit at least two conformations. The reported NMR structures correspond to one of these conformations, representing the N-terminal active state in ErbB(1-1) (RH2), ErbB(2-2) (RH1) and ErbB(4-4) (RH) homo-dimers and the LH dimer in ErbB(3-3) homo-dimer, validating the computational approach. Further, we predict a right-handed ErbB(4) dimer conformer that warrants experimental testing. The five hetero-dimers that have not yet been experimentally resolved display prominent right-handed dimers associating by the SmXXXSm motif. Our results provide insights into the constitutive signaling of ErbB(4) after cleavage of the extracellular region. The presence of the inactive-like dimer conformers leading to symmetric kinase domains gives clues on the autoinhibition of the receptor dimers. The dimer states characterized here represent an important step towards understanding the combinatorial cross associations in the ErbB family.

}, keywords = {Martini coarse-grained simulations, Membrane protein structure, Transmembrane dimer}, issn = {1047-8477}, doi = {10.1016/j.jsb.2019.05.013}, author = {Pawar, Aiswarya B. and Sengupta, Durba} } @article {46103, title = {Reusable cobalt catalyst for reversible acceptorless dehydrogenation and hydrogenation of N-Heterocycles}, journal = {ChemCatChem}, volume = {11}, year = {2019}, month = {MAY}, pages = {2449-2457}, type = {Article}, abstract = {

The development of robust catalytic systems based on basemetals for reversible acceptorless dehydrogenation (ADH) and hydrogenation of feedstock chemicals is very important in the context of {\textquoteleft} hydrogen storage{\textquoteright}. Herein, we report a highly efficient reusable cobalt-based heterogeneous catalyst for reversible dehydrogenation and hydrogenation of N-heterocycles. Both the ADH and the hydrogenation processes operate under mild, benign conditions.

}, doi = {10.1002/cctc.201900367}, author = {Jaiswal, Garima and Subaramanian, Murugan and Sahoo, Manoj K. and Balaraman, Ekambaram} } @article {46039, title = {Ring opening polymerization of lactide: kinetics and modeling}, journal = {Chemical Engineering Communications}, volume = {206}, year = {2019}, month = {SEP }, pages = {1159-1167}, type = {Article}, abstract = {

The ring opening polymerization (ROP) kinetics of L-lactide was studied in bulk at 150, 160, and 180 degrees C using stannous octoate [Sn(Oct)(2)] catalyst and 1-pyrene butanol co-catalyst. The effect of different parameters namely, time and co-catalyst to catalyst ratio was studied on the properties of polylactide. The experimental results showed high conversion of L-lactide. The kinetics of L-lactide ROP follows the co-ordination insertion mechanism. The experimental results obtained were studied to account for the reversible activation, propagation, termination, and validated by modeling using MATLAB. The model developed successfully predicts the monomer conversion and the kinetics of L-lactide ROP.

}, keywords = {1-pyrene butanol, Average molecular weights, GPC, kinetics, L-Lactide, Modeling and simulation, Polymerization temperature, Proton NMR, ROP, Stannous octoate}, issn = {0098-6445}, doi = {10.1080/00986445.2018.1550395}, author = {Metkar, Sangeeta and Sathe, Vivek and Rahman, Imran and Idage, Bhaskar and Idage, Susheela} } @article {46176, title = {Robust micropropagation protocol for genetically true to type plants of Phule Arakta pomegranate}, journal = {Indian Journal of Horticulture}, volume = {76}, year = {2019}, month = {MAR}, pages = {23-31}, type = {Article}, abstract = {

A rapid and reproducible micropropagation protocol for pomegranate cv. Phule Arakta has been developed using nodal segments of field grown plant. Bud break was induced in basal Woody Plant Medium (WPM) as well as compared when WPM was supplemented with plant growth regulators. Multiple shoot proliferation was induced in the nodal segments on WPM fortified with different concentration of benzyladenine (BAP) where 2mg/I BAP developed maximum number of shoots. Elongation of shoots was further amplified with the addition of adjuvant silver nitrate. Browning of culture medium was controlled by the addition of polyvinylpyrrolidone (PVP) and regular sub-culturing enhanced shoot multiplication as well as elongation. Rooting was induced in the regenerated shoots using Indole-3-butyric acid (IBA) and 3-Indoleacetic acid where best result was obtained using shock treatment with NAA. Sub-culturing resulted in denser and better rooting. The rooted plantlets were further acclimatized and then established in soil. The clonal fidelity of the in vitro grown cultures was assessed using Random Amplified Polymorphic DNA (RAPD) and Inter Simple Sequence Repeats (ISSR) markers. The 10 RAPD decamers produced 55 bands and 4 ISSR produced 19 bands in total. RAPD primers OPC-08, OPC-13 and OPD-07 produced the highest number of distinct bands and ISSR primer UBC-834 produced maximum distinct bands. All the bands were monomorphic which confirms the genetic fidelity of the in-vitro raised P. granatum cv. Phule Arakta and supported the method of mass production of true to type progenies using tissue culture.

}, keywords = {genetic fidelity, ISSR, Punica granatum, RAPD}, issn = {0972-8538}, doi = {10.5958/0974-0112.2019.00004.5}, author = {Raman, Taramla and Gupta, Vidya S. and Shukla, Susmita} } @article {46141, title = {Role of hydrogen bonding in cocrystals and coamorphous solids: indapamide as a case study}, journal = {Crystengcomm}, volume = {21}, year = {2019}, month = {APR }, pages = {2043-2048}, type = {Article}, abstract = {

The stronger sulfonamide-pyridine (SO2NH2 center dot center dot center dot N-Py) and sulfonamide-carboxamide (SO2NH2 center dot center dot center dot O = C-NH) hydrogen bonds direct the formation of cocrystals, while the weaker sulfonamide-amine (SO2NH2 center dot center dot center dot N-H) hydrogen bond results in coamorphous products. IDP-PIP and IDP-ARG coamorphous solids exhibit remarkable stability under accelerated conditions.

}, issn = {1466-8033}, doi = {10.1039/c8ce01075g}, author = {Allu, Suryanarayana and Suresh, Kuthuru and Bolla, Geetha and Mannava, M. K. Chaitanya and Nangia, Ashwini} } @article {45628, title = {Role of Li+ and Fe3+ in modified ZnO: Structural, vibrational, opto-electronic, mechanical and magnetic properties}, journal = {Ceramics International}, volume = {45}, year = {2019}, month = {JAN}, pages = {7232-7243}, type = {Article}, abstract = {When Fe is doped in ZnO, a situation of charge imbalance is created due to the higher charge of Fe3+. A charge balance may be obtained by co-doping Li+0.5Fe3+0.5 combinations. A solid solution of Zn1-x(Fe0.5Li0.5)xO (0 <= x <= 0.03125) is synthesized with this viewpoint. The crystallites belong to a wurtzite P63mc space group, with lattice parameters a, b and c increasing nominally for x = 0.0156 and thereafter remaining invariant. The size varies in the range ~ 60{\textendash}142 nm. Interstitials of Li and Zn ions are formed. Along with Fe3+ substitution these defects are reasons for O interstitials. These oxygen interstitials increase the red emission while reduction of oxygen vacancies reduces the green emission. These point defects create structural distortion and strain which can generate Zn vacancies. Bandgap reduces due to shallow defects. Mid-bandgap states due to oxygen interstitials and Fe 3d-O 2p hybridization result in NIR emission. On the other hand the crystal surface deforms due to Li addition which hardens the materials. A weak ferromagnetism appears at very low temperature which is enhanced by Li+ addition. Long range exchange mechanism between Fe3+ ions appears in the samples, mediated by magnetic polarons due to point defects.}, keywords = {hardness, NIR emission, Shallow and deep level defects, Weak ferromagnetism, ZnO}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2019.01.004}, author = {Bajpai, G. and Moirangthem, I. and Sarkar, S. and Barman, S. R. and Vinod, C. P. and Bajpai, S. and Riyajuddin, S. and Ghosh, K. and Basaula, D. R. and Khan, M. and Liu, S. -W. and Biring, S. and Sen, S.} } @article {46130, title = {Room temperature catalytic dehydrogenation of cyclic amines with the liberation of H-2 using water as a solvent}, journal = {Green Chemistry}, volume = {21}, year = {2019}, month = {APR }, pages = {2119-2128}, type = {Article}, abstract = {

Catalytic dehydrogenation of cyclic amines, in particular partially saturated N-heterocycles to N-heterocyclic arenes, with the removal of molecular hydrogen as the sole byproduct in water is reported. This dehydrogenation reaction proceeds smoothly under very mild and benign conditions and operates at room temperature. This distinctive reactivity has been achieved under dual catalytic conditions by merging the visible-light active [Ru(bpy)(3)](2+) as the photoredox catalyst and a newly synthesized cobalt complex as the proton-reduction catalyst. A detailed mechanistic study (control experiments, electrochemical studies, UV-visible experiments) is presented for the present dual catalysis.

}, issn = {1463-9262}, doi = {10.1039/c9gc00201d}, author = {Sahoo, Manoj K. and Balaraman, Ekambaram} } @article {46433, title = {Room-temperature asymmetric transfer hydrogenation of biomass-derived levulinic acid to optically pure gamma-valerolactone using a ruthenium catalyst}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {NOV }, pages = {19491-19498}, type = {Article}, abstract = {

This study presents a first report on ruthenium-catalyzed asymmetric transfer hydrogenation (ATH) of levulinic acid (LA) to chiral gamma-valerolactone (GVL). ATH of LA has been explored with Noyori{\textquoteright}s chiral catalyst (Ru-TsDPEN) in methanol solvent. Efficacy of ATH reaction of LA was investigated under different reactions conditions such as temperature, catalyst, and hydrogen donor concentration. The effect of various organic tertiary bases along with formic acid (FA) as a hydrogen donor was studied, and N-methylpiperidine with FA (1:1 molar ratio) was revealed as an efficient hydrogen donor for ATH of LA to GVL furnishing chiral GVL with complete conversion and 93\% enantiomeric excess (ee). This operationally simple and mild ATH protocol was tested for practical applicability of ATH of LA obtained from biomass waste (rice husk and wheat straw) and furnished chiral GVL with 82\% ee.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b03424}, author = {Shende, Vaishali S. and Raut, Amol B. and Raghav, Prathamesh and Kelkar, Ashutosh A. and Bhanage, Bhalchandra M.} } @article {46275, title = {Route to access imidazol[1,5-a]indole-1,3-diones and pyrrolo[1,2-c]imidazole-1,3-diones}, journal = {Organic \& Biomolecular Chemistry}, volume = {17}, year = {2019}, month = {SEP}, pages = {8384-8390}, type = {Article}, abstract = {

A novel and practical route to synthesize imidazol[1,5-a]indoles and pyrrolo[1,2-c]imidazoles via N-H functionalization has been developed. Indole-2-carboxylic acid or pyrrole-2-carboxylic acid with diverse aniline groups and carbonyldiimidazole (CDI), in the presence of a base under microwave conditions, resulted in imidazol[1,5-a]indoles and pyrrolo[1,2-c]imidazoles, respectively. The present method is free of work-up and no need for column chromatography. Both title scaffolds can serve as useful heterocyclic scaffolds in medicinal chemistry as such, or they can be used as building blocks to construct different classes of useful compounds.

}, doi = {10.1039/c9ob01462d}, author = {Rao, Ramana Sreenivasa and Shajan, Fere Joseph and Reddy, D. Srinivasa} } @article {46110, title = {Ru(II)-catalyzed C-H activation/alkylation of 3-formylbenzofurans with conjugated olefins: product divergence}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {MAY }, pages = {5056-5066}, type = {Article}, abstract = {

Ru-catalyzed alkylation of 3-formylbenzofuran with acrylates and acrylamides has been described. Branched selectivity with unsubstituted or beta-substituted acrylates/ acrylamides and linear selectivity with alpha-substituted acrylates have been observed. However, in all of the cases, the intermediate alkylation products seem to undergo further reactions, either cycloannulation or deformylation, depending on the substrate employed. For example, with methyl acrylate, the intermediate branched alkylation product underwent cycloannulation with another molecule of methyl acrylate, resulting in a densely functionalized cyclohexene ring formation. On the other hand, in the case of N-monosubstituted acrylamides, the branched alkylation proceeded with intramolecular aldehyde-amide condensation, leading to pyridin-2-one ring annulation. However, with both methacrylate and crotonate, deformylation of the initially formed alkylation products was observed.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b03267}, author = {Srinivas, Kolluru and Siddiqui, Shaziyaparveen K. and Mudaliar, Jyothi K. and Ramana, Chepuri V.} } @article {45591, title = {Rylene diimide-based alternate and random copolymers for flexible supercapacitor electrode materials with exceptional stability and high power density}, journal = {Journal of Physical Chemistry C}, volume = {123}, year = {2019}, month = {JAN}, pages = {2084{\textendash}2093}, type = {Article}, abstract = {Donor{\textendash}acceptor pi-conjugated polymers are emerging as interesting electrode materials for supercapacitor device applications. They offer an exciting possibility of charge storage in both positive and negative electrodes because they are both p- and n-dopable. The ambipolar charging enables higher operating voltage, which can afford higher specific energy and power densities. The donor{\textendash}acceptor design can be either donor-alternate-acceptor or donor-random-acceptor. This architectural variation has the potential to modify the charge storage; yet surprisingly not much literature data is available exploiting this aspect. This paper explores the alternate and random geometries of donor{\textendash}acceptor π-conjugated polymers based on naphthalene diimide or perylene diimide (PDI) as the acceptor component and benzodithiophene (BDT) as the donor component and their application as composite electrode materials in a type III supercapacitor device. Results show that the donor{\textendash}acceptor alternate design involving P(PDI-alt-BDT) is an excellent supercapacitor electrode material with specific capacitance of 113 F g{\textendash}1 with excellent stability up to 4000 cycles and almost 100\% retention of the initial capacitance in a single-electrode setup in a PC-LiClO4 organic electrolyte. A flexible supercapacitor device was also fabricated which shows areal capacitance of 35 mF cm{\textendash}2 at a current density of 0.5 mA cm{\textendash}2, which is promising for commercial applications.}, doi = {10.1021/acs.jpcc.8b11229}, author = {Sharma, S. and Soni, R. and Kurungot, S. and Asha, S. K.} } @article {46425, title = {Saturated N-heterocyclic carbene based thiele{\textquoteright}s hydrocarbon with a tetrafluorophenylene linker}, journal = {Chemistry-A European Journal}, year = {2019}, month = {NOV}, type = {Article; Early Access}, abstract = {

The synthesis of a SIPr [1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene] derived Kekule diradicaloid with a tetrafluorophenylene spacer (3) has been described. Two synthetic routes have been reported to access 3. The cleavage of C-F bond of C6F6 by SIPr in the presence of BF3 led to double C-F activated compound with two tetrafluoro borate counter anions (2), which upon reduction by lithium metal afforded 3. Alternatively, 3 can be directly accessed in one step by reacting SIPr with C6F6 in presence of Mg metal. Compounds 2 and 3 were well characterized spectroscopically and by single-crystal X-ray diffraction studies. Experimental and computational studies support the cumulenic closed-shell singlet state of 3 with a singlet-triplet energy gap (Delta ES-T) of 23.7 kcal mol(-1).

}, keywords = {C-F activation, Density functional calculations, fluorine, Kekule diradicaloids, saturated NHC}, issn = {0947-6539}, doi = {10.1002/chem.201904421}, author = {Kundu, Gargi and De, Sriman and Tothadi, Srinu and Das, Abhishek and Koley, Debasis and Sen, Sakya S.} } @article {46416, title = {Selective hydrogenation of 5-HMF to 2,5-DMF over a magnetically recoverable non-noble metal catalyst}, journal = {Green Chemistry}, volume = {21}, year = {2019}, month = {DEC}, pages = {6390-6406}, type = {Article}, abstract = {

A non-noble bimetallic catalyst Cu-Fe (1 : 2) was magnetically recoverable, highly selective and efficient for 5-(hydroxymethyl) furfural (5-HMF) hydrogenation to 2,5-dimethyl furan (DMF). The structure-activity correlation was established by characterising the prepared catalyst by XRD, XPS, TEM, ESEM, BET surface area, N-2-adsorption, NH3-TPD, pyridine-IR and H-2-TPR measurements. The high catalytic efficiency was attributed to the oxophilic nature and Lewis acidity of Fe, whereas the selectivity towards DMF was attributed to the Bronsted acidity of CuO and its affinity towards the C-O bond which was further confirmed by NH3-TPD and Py-IR analyses. XPS and XRD revealed the presence of Cu/CuFe2O4 species which catalyzed the hydrogenolysis pathway. TEM and SEM images evidenced the presence of a Cu-Fe nanomorph in which Cu/CuFe2O4 was present. The size of the Cu-Fe nanomorph was found to be between 15.4-17.6 nm. Under the optimised reaction conditions, the highest conversion of 97\% and selectivity of 93\% were achieved.

}, issn = {1463-9262}, doi = {10.1039/c9gc03091c}, author = {Solanki, Bhanupratap Singh and Rode, V. Chandrashekhar} } @article {45607, title = {Selective hydrogenolysis of 5-(hydroxymethyl)furfural over Pd/C catalyst to 2,5-dimethylfuran}, journal = {Journal of Saudi Chemical Society}, volume = {23}, year = {2019}, month = {MAY}, pages = {439-451}, type = {Article}, abstract = {

everal metal supported catalysts were prepared and evaluated for 5-(hydroxymethyl)furfural (5-HMF) hydrogenolysis to 2,5-dimethylfuran (2,5-DMF) which is a renewable potential fuel additive. Among the prepared catalysts, 3\%Pd/C showed excellent performance in terms of complete conversion of 5-HMF along with the highest selectivity of 99\% to 2,5-DMF. Detailed physico-chemical characterisation was done in order to understand structure-activity correlation. Uniformly dispersed Pd nanoparticles on activated carbon provided the adsorption surface to enhance the hydrogenation of 5-HMF. Reaction was well optimised and established by extensive study of different reaction parameters like temperature, pressure, reaction time, stirring effect, substrate loading and metal loading.

}, keywords = {Biomass, Fuel additive, heterogeneous catalysis, Hydrogenolysis, Palladium}, issn = {1319-6103}, doi = {10.1016/j.jscs.2018.08.009}, author = {Solanki, B. S. and Rode, C. V.} } @article {46283, title = {Selective synthesis of secondary amines from nitriles by a user-friendly cobalt catalyst}, journal = {Advanced Synthesis \& Catalysis}, volume = {361}, year = {2019}, month = {SEP}, pages = {3930-3936}, type = {Article}, abstract = {

Selective hydrogenation/reductive amination of nitriles to secondary amines catalyzed by an inexpensive and user-friendly cobalt complex, (Xantphos)CoCl2, is reported. The use of (Xantphos)CoCl2 and ammonia borane (NH3-BH3) combination affords the selective reduction of nitriles to symmetrical secondary amines, whereas the employment of (Xantphos)CoCl2 and dimethylamine borane (Me2NH-BH3) along with external amines produce unsymmetrical secondary amines and tertiary amines. The general applicability of this methodology is demonstrated by the synthesis of 43 symmetrical and unsymmetrical secondary and tertiary amines bearing diverse functionalities.

}, doi = {10.1002/adsc.201900586}, author = {Sharma, Dipesh M. and Punji, Benudhar} } @article {46184, title = {Selective targeting of integrin alpha v beta 8 by a highly active cyclic peptide}, journal = {Journal of Medicinal Chemistry}, volume = {62}, year = {2019}, month = {FEB }, pages = {2024-2037}, type = {Article}, abstract = {

Integrins play important roles in physiological and pathophysiological processes. Among the RGD-recognizing integrin subtypes, the alpha v beta 8 receptor is emerging as an attractive target because of its involvement in various illnesses, such as autoimmune diseases, viral infections, and cancer. However, its functions have, so far, not been investigated in living subjects mainly because of the lack of a selective alpha v beta 8 ligand. Here, we report the design and potential medical applications of a cyclic octapeptide as the first highly selective small-molecule ligand for alpha v beta 8. Remarkably, this compound displays low nanomolar alpha v beta 8 binding affinity and a strong discriminating power of at least 2 orders of magnitude versus other RGD-recognizing integrins. Peptide functionalization with fluorescent or radioactive labels enables the selective imaging of alpha v beta 8-positive cells and tissues. This new probe will pave the way for detailed characterization of the distinct (patho)physiological role of this relatively unexplored integrin, providing a basis to fully exploit the potential of alpha v beta 8 as a target for molecular diagnostics and personalized therapy regimens.

}, issn = {0022-2623}, doi = {10.1021/acs.jmedchem.8b01588}, author = {Reichart, Florian and Maltsev, Oleg V. and Kapp, Tobias G. and Raeder, Andreas F. B. and Weinmueller, Michael and Marelli, Udaya Kiran and Notni, Johannes and Wurzer, Alexander and Beck, Roswitha and Wester, Hans Juergen and Steiger, Katja and Di Maro, Salvatore and Di Leva, Francesco Saverio and Marinelli, Luciana and Nieberler, Markus and Reuning, Ute and Schwaiger, Markus and Kessler, Horst} } @article {46077, title = {Self-assemblies of nucleolipid supramolecular synthons show unique self-sorting and cooperative assembling process}, journal = {Nanoscale}, volume = {11}, year = {2019}, month = {JUN }, pages = {11956-11966}, type = {Article}, abstract = {

The inherent control of the self-sorting and co-assembling process that has evolved in multi-component biological systems is not easy to emulate in vitro using synthetic supramolecular synthons. Here, using the basic component of nucleic acids and lipids, we describe a simple platform to build hierarchical assemblies of two component systems, which show an interesting self-sorting and co-assembling behavior. The assembling systems are made of a combination of amphiphilic purine and pyrimidine ribonucleoside-fatty acid conjugates (nucleolipids), which were prepared by coupling fatty acid acyl chains of different lengths at the 2 {\textquoteleft}-O- and 3 {\textquoteleft}-O-positions of the ribose sugar. Individually, the purine and pyrimidine nucleolipids adopt a distinct morphology, which either supports or does not support the gelation process. Interestingly, due to the subtle difference in the order of formation and stability of individual assemblies, different mixtures of supramolecular synthons and complementary ribonucleosides exhibit a cooperative and disruptive self-sorting and co-assembling behavior. A systematic morphological analysis combined with single crystal X-ray crystallography, powder X-ray diffraction (PXRD), NMR, CD, rheological and 3D X-ray microtomography studies provided insights into the mechanism of the self-sorting and co-assembling process. Taken together, this approach has enabled the construction of assemblies with unique higher ordered architectures and gels with remarkably enhanced mechanical strength that cannot be derived from the respective single component systems.

}, issn = {2040-3364}, doi = {10.1039/c9nr01863h}, author = {Nuthanakanti, Ashok and Walunj, Manisha B. and Torris, Arun and Badiger, Manohar V. and Srivatsan, Seergazhi G.} } @article {46442, title = {Semirational design and engineering of grapevine glucosyltransferases for enhanced activity and modified product selectivity}, journal = {Glycobiology}, volume = {29}, year = {2019}, month = {NOV}, pages = {765-775}, type = {Article}, abstract = {

Uridine diphosphate-dependent glycosyltransferases (UGTs) catalyze the transfer of a diversity of sugars to several acceptor molecules and often exhibit distinct substrate specificity. Modulation of glycosyltransferases for increased catalytic activity and altered substrate or product specificity are the key manipulations for the biotechnological use of glycosyltransferases in various biosynthetic processes. Here, we have engineered the binding pocket of three previously characterized Vitis vinifera glycosyltransferases, UGT88F12, UGT72B27 and UGT92G6, by structure-guided in silico mutagenesis to facilitate the interactions of active site residues with flavonol glucosides and thus modify substrate specificity and activity. Site-directed mutagenesis at selected sites, followed with liquid chromatography-mass spectrometry based activity assays, exhibited that mutant UGTs were altered in product selectivity and activity as compared to the wild-type enzymes. Mutant UGTs produced larger amounts of flavonol di-monosaccharide glucosides, which imply that the mutations led to structural changes that increased the volume of the binding pocket to accommodate a larger substrate and to release larger products at ease. Mutants showed increased activity and modified product specificity. Thus, structure-based systematic mutations of the amino acid residues in the binding pocket can be explored for the generation of engineered UGTs for diverse biotechnological applications.

}, keywords = {flavonol, Glycosyltransferase, in silico analysis, Mutagenesis, selectivity}, issn = {0959-6658}, doi = {10.1093/glycob/cwz056}, author = {Joshi, Rakesh and Trinkl, Johanna and Haugeneder, Annika and Haertl, Katja and Franz-Oberdorf, Katrin and Giri, Ashok and Hoffmann, Thomas and Schwab, Wilfried} } @article {45511, title = {On the sensitivity of alginate rheology to composition}, journal = {Soft Matter}, volume = {15}, year = {2019}, month = {JAN }, pages = {159-165}, type = {Article}, abstract = {

The linear response of alginate-phenyl boronic acid (Alg-PBA) esters shows a universal, composition-independent viscoelastic fluid-like behaviour. Reversible association of alginates governs their rheology at all compositions (viz. at all alginate concentrations and solution pH). However, their high strain behaviour is very sensitive to composition. Tuning composition affords liquids that neck to form filaments capable of being drawn to large elongations without failure. We interpret our data by invoking strain-dependent association and dissociation rates for the alginates. High association rates at high strain result in materials with viscoelastic liquid like behaviour.

}, issn = {1744-683X}, doi = {10.1039/c8sm02093k}, author = {Suresh, Karthika and Haering, Marleen and Kumaraswamy, Guruswamy and Diaz Diaz, David} } @article {46094, title = {Separator membranes for lithium-sulfur batteries: design principles, structure, and performance}, journal = {Energy Technology}, volume = {7}, year = {2019}, month = {JUN}, pages = {1800819}, type = {Article}, abstract = {

Improvement in electrical energy storage systems is one of the most recent research topics of great academic and industrial interest. Lithium-sulfur (Li-S) battery systems offer a theoretical energy density an order of magnitude larger than the popular Li-ion batteries. The principle of working, inherent challenges in utilizing this system for commercial applications, and the various approaches taken to address these challenges are herein discussed in detail. The polysulfide shuttle effect is a major concern that deteriorates electrochemical performance in this system. In the recent past, electrodes have been intricately engineered to tackle this problem. However, more recently, the focus has shifted to the critical role of the separator. Modifying conventional separators or fabricating novel structures to enhance the cell performance appears to be a more feasible option. Some design principles that are critical to the functioning of a separator in Li-S batteries, namely physisorption, chemisorption, and electrostatic repulsion, are discussed. Many recent papers proposed novel cell configurations with specifically designed functional separators. These reports are classified according to three design principles, analyzed critically, and compared with a view to assess their relative merits and efficacy. Some thoughts on the future directions in the development of an efficient separator are described.

}, keywords = {lithium-sulfur batteries, polysulfides, rechargeable batteries, separators, shuttle effect}, issn = {2194-4288}, doi = {10.1002/ente.201800819}, author = {Gupta, Aritrajit and Sivaram, Swaminathan} } @article {46159, title = {Silylene induced cooperative B-H bond activation and unprecedented aldehyde C-H bond splitting with amidinate ring expansion}, journal = {Chemical Communications}, volume = {55}, year = {2019}, month = {MAR }, pages = {3536-3539}, type = {Article}, abstract = {

The addition of HBpin to PhC(NtBu)(2)SiN(SiMe3)(2) (1) results in the cleavage of the B-H bond in a cooperative fashion across the Si and amidinate-C sites. The reaction of 1 with benzaldehyde led to C-H bond activation with amidinate ring expansion leading to a five-membered heterocycle. In case of 4-fluorobenzaldehyde, a C-C bond coupling takes place leading to a dioxasilolane derivative as the major product.

}, issn = {1359-7345}, doi = {10.1039/c9cc00296k}, author = {Swamy, V. S. V. S. N. and Raj, K. Vipin and Vanka, Kumar and Sen, Sakya S. and Roesky, Herbert W.} } @article {46339, title = {Special issue: membrane and receptor dynamics}, journal = {Journal of Membrane Biology}, volume = {252}, year = {2019}, month = {OCT}, pages = {207-211}, type = {Editorial Material}, issn = {0022-2631}, doi = {10.1007/s00232-019-00096-z, Early Access Date = OCT 2019}, author = {Prakash, Shikha and Sengupta, Durba} } @article {46086, title = {Stabilization of bis(chlorogermyliumylidene)s within bifunctional PNNP ligand frameworks and their reactivity studies}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {JUN }, pages = {7344-7351}, type = {Article}, abstract = {

The diiminodiphosphine (L-im) and diaminodiphosphines (l-NH and l-NMe) with a bifunctional PNNP ligand framework have been employed to host two [GeCl](+) units leading to the formation of bis(chlorogermyliumylidene) 1-3, respectively. The synthetic route involves a 1:2 stoichiometric reaction between the PNNP ligand and GeCl(2)dioxane and the subsequent addition of two equivalents of chloride abstracting agent. Compound 1 is unstable towards coordinating solvents and Lewis bases, resulting in the displacement of the GeCl unit and the formation of rearranged products 4 and 5. However, the diaminodiphosphine coordinated Ge(ii) bis(monocation)s 2 and 3 proved to be stable and revealed their electrophilic behaviour towards the Lewis bases studied.

}, issn = {1477-9226}, doi = {10.1039/c9dt00109c}, author = {Sahoo, Padmini and Raut, Ravindra K. and Maurya, Devesh and Kumar, Vikas and Rani, Pooja and Gonnade, Rajesh G. and Majumdar, Moumita} } @article {45624, title = {Stereoselective aromatic ring hydrogenation over supported rhodium catalysts in supercritical carbon dioxide solvent}, journal = {Chemical Record}, year = {2019}, month = {JAN}, type = {Article}, abstract = {The combination of supported rhodium metal catalysts and supercritical carbon dioxide solvent was effective for the stereoselective ring hydrogenations of aromatic compounds at low temperature. Higher solubility of hydrogen in supercritical carbon dioxide provides higher concentration of hydrogen on the rhodium surface, but lower that of the intermediate on rhodium surface, which suppresses the flipping of surface intermediate, leading to higher catalyst activities and cis selectivities to the corresponding ring-hydrogenated products as compared with those in organic solvents.}, doi = {10.1002/tcr.201800128}, author = {Shirai, M. and Hiyoshi, N. and Rode, C. V.} } @article {46046, title = {Steroidal thiazolidinone derivatives: design, synthesis and their molecular interaction with human serum albumin}, journal = {Steroids}, volume = {148}, year = {2019}, month = {AUG}, pages = {99-113}, type = {Article}, abstract = {

A series of steroidal thiazolidinone derivatives have been synthesized through one-pot multicomponent reaction involving steroidal ketone, thiosemicarbazide/methyl-thiosemicarbazide and DMAD in presence of AlCl3 as a Lewis acid catalyst. Among all the synthesized steroidal thiazolidinone derivatives, compound 7-9 (ST 7-9) were investigated for their in vitro molecular interaction with human serum albumin. Intrinsic fluorescence spectroscopy, constant wavelength synchronous fluorescence spectroscopy, circular dichroism and UV-visible absorption techniques have been exploited to characterize the binding phenomena in phosphate buffer solution at pH 7.4. The experimental results indicated that ST 7-9 bind to HSA and the intrinsic fluorescence of HSA was quenched through static quenching mechanism. The binding parameters were calculated and the binding constants obtained were 1.44 x 10(5) M-1 for ST 7, 0.84 x 10(5) M-1 for ST 8 and 1.06 x 10(5) M-1 for ST 9. Circular dichroism analysis confirms that the presence of ST 7-9, altered the secondary structure of HSA due to partial unfolding of the polypeptide chain. Furthermore, hemolytic activity assay demonstrated that the synthesized steroidal thiazolidinone derivatives have good compatibility towards human red blood cells. Finally, molecular docking studies revealed that the steroidal thiazolidinones can bind in the hydrophobic cavity of HSA, by hydrophobic and hydrogen bonding interaction. These results provided valuable information about the binding mechanism of ST 7-9 with HSA and play a pivotal role in the development of steroidal heterocycle inspired compounds.

}, keywords = {heterocycles, Human serum albumin, steroids, Thiazolidinone}, issn = {0039-128X}, doi = {10.1016/j.steroids.2019.02.015}, author = {Ansari, Anam and Ali, Abad and Asif, Mohd and Shamsuzzaman} } @article {46065, title = {Structural insights into the unique inhibitory mechanism of Kunitz type trypsin inhibitor from Cicer arietinum L. Vol. 37}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {37}, year = {2019}, month = {JUL}, pages = {2669-2677}, type = {Article}, abstract = {

Kunitz-type trypsin inhibitors bind to the active pocket of trypsin causing its inhibition. Plant Kunitz-type inhibitors are thought to be important in defense, especially against insect pests. From sequence analysis of various Kunitz-type inhibitors from plants, we identified CaTI2 from chickpea as a unique variant lacking the functionally important arginine residue corresponding to the soybean trypsin inhibitor (STI) and having a distinct and unique inhibitory loop organization. To further explore the implications of these sequence variations, we obtained the crystal structure of recombinant CaTI2 at 2.8 angstrom resolution. It is evident from the structure that the variations in the inhibitory loop facilitates non-substrate like binding of CaTI2 to trypsin, while the canonical inhibitor STI binds to trypsin in substrate like manner. Our results establish the unique mechanism of trypsin inhibition by CaTI2, which warrant further research into its substrate spectrum.

}, keywords = {Chickpea, crystal structure, inhibitory loop, Kunitz trypsin inhibitor, Trypsin}, issn = {0739-1102}, doi = {10.1080/07391102.2018.1494633}, author = {Bendre, Ameya D. and Suresh, C. G. and Shanmugam, Dhanasekaran and Ramasamy, Sureshkumar} } @article {46151, title = {Structure-property relations in regenerated cellulose fibers: comparison of fibers manufactured using viscose and lyocell processes}, journal = {Cellulose}, volume = {26}, year = {2019}, month = {APR}, pages = {3655-3669}, type = {Article}, abstract = {

Regenerated cellulose fibers are produced using two industrially dominant technologies: the viscose and lyocell processes. Here, we compare commercially available fibers, prepared using the viscose and lyocell processes. Single fibers are subjected to a variety of mechanical deformations to obtain stress-strain, stress relaxation and stress recovery data. These are fitted to a phenomenological model, whose parameters are interpreted in terms of the fiber semicrystalline microstructure. This simple model does not incorporate the complexities of semicrystalline microstructure. Rather, it represents structure in a semicrystalline polymer fiber in terms of an elastic crystalline phase that coexists with a viscoelastic Voigt-like glassy amorphous phase. Lyocell fibers are characterized by higher values of crystalline modulus relative to viscose. Lyocell fibers also have a higher amorphous phase modulus and a wider relaxation spectrum than viscose, suggesting that amorphous and crystalline phases are dispersed in close connectivity in lyocell. Viscose and lyocell fibers exhibit qualitative similarities in their mechanical response. On stretching, there is a transition in the stress-strain curve from a low strain elastic response at a critical value of strain. This critical strain has been incorrectly attributed to yielding of the fiber. We establish that this critical value corresponds to an apparent yield. When subjected to strains higher than this apparent yield point, the fibers develop a memory of the mechanical deformation. This memory decays slowly, logarithmically with time and is lost over about a day as the fiber structure transitions back to the original as spun fiber. Finally, we demonstrate that on wetting the fibers with water, there is an increase in the apparent yield strain for viscose fibers, but not for lyocell. We interpret these results in terms of the semicrystalline microstructure of the fibers.

}, keywords = {mechanical properties, Model, Regenerated cellulose, Yielding}, issn = {0969-0239}, doi = {10.1007/s10570-019-02352-w}, author = {Sharma, Aakash and Nagarkar, Shailesh and Thakre, Shirish and Kumaraswamy, Guruswamy} } @article {46071, title = {Study of rheology and plug assist thermoforming of linear and branched pp homopolymer and impact copolymer}, journal = {International Polymer Processing}, volume = {34}, year = {2019}, month = {JUL}, pages = {339-355}, type = {Article}, abstract = {

Polypropylene (PP) is one of the fastest growing thermoplastic polymers in the world, second only to polyethylene. This is primarily due to its excellent balance of physical and chemical properties at a lower cost. PP however possesses low melt strength on account of its linear structure and hence is not easily amenable to processing techniques that involve free surface stretching deformations like thermoforming, blow molding and extrusion film casting. One way to enhance the melt strength of PP is to incorporate long chain branches in its molecular architecture. The present study focuses on the impact of rheology of linear and branched PP on their thermoforming characteristics. Two grades each of linear and long chain branched (LCB) PP homopolymer and impact copolymer (ICP) were used. It was observed that the LCB-PP homopolymer and LCB-ICP showed higher flow activation energy, reduced value of loss tangent and nearly equal frequency dependence of storage and loss moduli in shear rheology. Also, a strong strain hardening behavior was displayed in extensional rheology by the LCB grades. Plug assist thermoforming experiments were carried out to assess the effect of long chain branching on surface strain and thickness distribution for axisymmetric cups of two draw ratios. Biaxial surface strain maps of the formed cups were quantified using Grid Strain Analysis (GSA). Thermoformed cups made from LCB-PP homopolymer and LCB-impact copolymer showed lower surface strain and overall higher thickness as compared to cups made from their linear counterparts, which is in accordance with what might be expected from their rheology.

}, issn = {0930-777X}, doi = {10.3139/217.3704}, author = {Marathe, D. and Shelar, S. and Mahajan, S. and Ahmad, Z. and Gupta, S. and Kulkarni, S. and Juvekar, V and Lele, A.} } @article {46044, title = {Superior humidity sensor and photodetector of mesoporous ZnO nanosheets at room temperature}, journal = {Sensors and Actuators B-Chemical}, volume = {293}, year = {2019}, month = {AUG}, pages = {83-92}, type = {Article}, abstract = {

Miniaturized sensor technology is vastly demanding multifunctional materials to fulfill many requirements simultaneously; instead of integrating various sensors into a single device. Efficient operation of these miniaturized sensors at room temperature is highly feasible and cost-effective. The humidity sensing and photodetection is precise merit of sensing in special usage like artificial skin. Sensitivity enhancement in both humidity and photodetection required the high surface area for adsorption as well as a high charge transfer mechanism. The two dimensional (2D) zinc oxide nanosheets (ZnO NS) is the ultimate structure for dimensionally confined transport properties owing to the specific surface atomic configuration that results in high sensitivity, low operating temperature, fast response and recovery, and improved selectivity. Furthermore, introducing porosity into 2D nanostructures has opened new opportunities to enhance the efficiency of sensors and detectors via increasing large surface area and tunable physical and chemical properties. Here we report preparation of mesoporous and highly crystalline 2D ZnO NS by a single step, template free, cost-effective chemical method. The structural and morphological characterizations of ZnO NS are carried out using XRD, FESEM, XPS, TEM respectively. The high-resolution TEM images emphasize sheet-like morphology with a thickness of around 18-22 nm. Further the mesoporous ZnO NS (MZNS) with the pore size between 5-10 nm are achieved by simple heat-treatment. XPS and PL study is confirming the oxygen deficiency in MZNS. The MZNS exhibits an excellent responsivity than PZNS with a fast response and rapid recovery time of 25 s and 5 s respectively along with good cyclic stability which is highly crucial for smart humidity sensor. Furthermore, it considerably enhances photo-sensor performance than pristine ZnO NS (PZNS) with (similar to)1 s response time as well as (similar to)1 s recovery time along with better stability. These promising results illustrate the great potential of MZNS for next-generation humidity sensors and photodetectors.

}, keywords = {humidity sensor, Mesoporous, nanosheets, Photo-detector}, issn = {0925-4005}, doi = {10.1016/j.snb.2019.04.086}, author = {Gupta, Shobhnath P. and Pawbake, Amit S. and Sathe, Bhaskar R. and Late, Dattatray J. and Walke, Pravin S.} } @article {46143, title = {Surfactant free synthesis of Au@Ni core-shell nanochains in aqueous medium as efficient transfer hydrogenation catalyst}, journal = {Applied Catalysis A-General}, volume = {575}, year = {2019}, month = {APR }, pages = {93-100}, type = {Article}, abstract = {

A surfactant free aqueous phase synthesis method is reported for the generation of highly lattice mismatched Au@Ni core-shell nanochains without using any expensive and hazardous organic ligands. As synthesised Au@Ni nanochain structures showed high thermal stability and bulk oxidation resistance up to 300 degrees C. In situ near ambient pressure XPS (NAPXPS) analysis has been done for the bare Au@Ni nanochain surfaces under oxygen atmosphere and at different temperatures which showed evidence for the surface oxidation resistance of naked Au@Ni nanochains up to 200 degrees C. Ligand or capping agent free Au@Ni nanochain surfaces are found to be highly active for transfer hydrogenation of acetophenone to 1-phenyl ethanol an important commodity in perfumery industry.

}, keywords = {Au@Ni nanochains, core-shell, NAPXPS, Surfactant free, synergistic effects, transfer hydrogenation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2019.01.017}, author = {Vysakh, A. B. and Shebin, K. J. and Jain, Ruchi and Sumanta, P. and Gopinath, Chinnakonda S. and Vinod, C. P.} } @article {46304, title = {Sustained release insect repellent microcapsules using modified cellulose nanofibers (mCNF) as pickering emulsifier}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {582}, year = {2019}, month = {DEC }, pages = {Article Number:123883}, type = {Article}, abstract = {

We report here an approach to encapsulate N, N-diethyl-3-methylbenzamide (DEET), an insect repellent, through interfacial polycondensation using modified cellulose nanofiber (CNF) as pickering emulsifier. We found that stearic acid functionalized CNF (mCNF) can be used to form stable pickering emulsions (oil-in-oil and water-in-oil), and further encapsulate DEET using interfacial polycondensation with very high encapsulation efficiency of about 98\%. Another major advantage of this approach is that mCNF can act both as pickering emulsifier and also strengthen the barrier properties of microcapsules resulting in significant reduction in release rate of DEET. Interpretation of the release profiles using standard mathematical models proposed by Ritger-Peppas show a factor of three reduction in release rate constant for the microcapsules reinforced with mCNF.

}, keywords = {Cellulose nanofiber, Controlled release, Microcapsules, Nanocomposite, nanoparticle, Pickering emulsion}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2019.123883}, author = {Kadam, Sandip L. and Yadav, Prashant and Bhutkar, Siddhant and Patil, Vishal D. and Shukla, Parshuram G. and Shanmuganathan, Kadhiravan} } @article {46012, title = {Synthesis and antimycobacterial evaluation of new 5-(1-benzyl-1H-1,2,3-triazol-4-yl)-4-methyl-2-arylthiazole derivatives}, journal = {Medicinal Chemistry Research}, volume = {28}, year = {2019}, month = {JUN}, pages = {805-819}, type = {Article}, abstract = {

A new series of 5-(1-benzyl-1H-1,2,3-triazol-4-yl)-4-methyl-2-arylthiazole derivatives, 6a-w have been synthesized by click reaction of substituted benzylazide, 5a-d with 5-ethynyl-4-methyl-2-substituted phenylthiazole, 4a-f. The starting compounds 4-ethynyl-2-substituted phenylthiazole (4a-f) were synthesized from the corresponding thiazole aldehyde by using the Ohira-Bestmann reagent. The structure of the synthesized compounds was determined by spectral analysis. All the synthesized compounds were screened for their preliminary antitubercular activity against Mycobacterium tuberculosis H37Ra (MTB, ATCC 25177). Most of the synthesized compounds reported good activity against M. tuberculosis H37Ra strain with IC50 range of 0.58-8.23 mu g/mL. Compounds 6g and 6k reported good antitubercular activity with MIC90 values of 4.71 and 2.22 mu g/mL, respectively. Potential antimycobacterial activity suggested that these compounds could serve as good lead compounds for further optimization and development of a newer antitubercular candidate. [GRAPHICS] .

}, keywords = {1, 2, 3-Triazole, Antitubercular activity, Molecular docking, Ohira-Bestmann reagent, Thiazole}, issn = {1054-2523}, doi = {10.1007/s00044-019-02310-y}, author = {Shinde, Vikas and Mahulikar, Pramod and Mhaske, Pravin C. and Chakraborty, Shakti and Choudhari, Amit and Phalle, Siddharth and Choudhari, Prafulla and Sarkar, Dhiman} } @article {46201, title = {Synthesis and biological evaluation of 2,4,5-trisubstituted thiazoles as antituberculosis agents effective against drug-resistant tuberculosis}, journal = {European Journal of Medicinal Chemistry}, volume = {178}, year = {2019}, month = {SEP}, pages = {315-328}, type = {Article}, abstract = {

The dormant and resistant form of Mycobacterium tuberculosis presents a challenge in developing new anti-tubercular drugs. Herein, we report the synthesis and evaluation of trisubstituted thiazoles as antituberculosis agents. The SAR study has identified a requirement of hydrophobic substituent at C2, ester functionality at C4, and various groups with hydrogen bond acceptor character at C5 of thiazole scaffold. This has led to the identification of 13h and 13p as lead compounds. These compounds inhibited the dormant Mycobacterium tuberculosis H37Ra strain and M. tuberculosis H37Rv selectively. Importantly, 13h and 13p were non-toxic to CHO cells. The 13p showed activity against multidrug-resistant tuberculosis isolates. (C) 2019 Elsevier Masson SAS. All rights reserved.

}, doi = {10.1016/j.ejmech.2019.05.082}, author = {Karale, Uttam B. and Krishna, Vagolu Siva and Krishna, E. Vamshi and Choudhari, Amit S. and Shukla, Manjulika and Gaikwad, Vikas R. and Mahizhaveni, B. and Chopra, Sidharth and Misra, Sunil and Sarkar, Dhiman and Sriram, Dharmarajan and Dusthackeer, V. N. Azger and Rode, Haridas B.} } @article {46290, title = {Synthesis and biological evaluation of new 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)phenyl)-2-phenylthiazole derivatives}, journal = {Journal of Heterocyclic Chemistry}, year = {2019}, month = {SEP}, type = {Article; Early Access}, abstract = {

A novel series of 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)phenyl)-2-substitutedthiazole derivatives (8a-l) have been synthesized by [3 + 2] cycloaddition reaction of 4-(4-ethynylphenyl)-2-substitutedthiazole with substituted benzyl azide in aqueous DMF. Starting compounds 4-(4-ethynylphenyl)-2-substitutedthiazole (6a-d) were synthesized by reaction of 4-(2-substitutedthiazol-4-yl)benzaldehyde with Ohira-Bestmann reagent in methanol. The structures of these novel triazole-thiazole clubbed derivatives were confirmed by the spectral analysis. The title compounds (8a-l) were tested for antimycobacterial activity against Mycobacterium tuberculosis H37Ra active and dormant (MTB, ATCC 25177) and antimicrobial activity against standard Gram-positive bacteria, Staphylococcus aureus (NCIM 2602) and Bacillus subtilis (NCIM 2162), and Gram-negative bacteria, Escherichia coli (NCIM 2576) and Pseudomonas flurescence (NCIM 2059). Compounds 8a, 8b, 8c, and 8h reported good activity against B subtilis, compounds 8a, 8b, and 8c showed good activity against S aureus, and compound 8b showed good activity against dormant M tuberculosis H37Rv strain. Compounds 8b and 8c found more potent against Gram positive and dormant M tuberculosis H37Rv strains. These novel triazole-thiazole clubbed analogues found to be a capable leads for further optimization and development.

}, issn = {0022-152X}, doi = {10.1002/jhet.3708}, author = {Shinde, Vikas and Mhaske, Pravin C. and Singh, Aakriti and Sarkar, Dhiman and Mahulikar, Pramod} } @article {45575, title = {Synthesis and characterization of zinc oxide nanoparticles by using polyol chemistry for their antimicrobial and antibiofilm activity}, journal = {Biochemistry and Biophysics Reports }, volume = {17}, year = {2019}, month = {MAR}, pages = {71-80}, type = {Article}, abstract = {The present investigation deals with facile polyol mediated synthesis and characterization of ZnO nanoparticles and their antimicrobial activities against pathogenic microorganisms. The synthesis process was carried out by refluxing zinc acetate precursor in diethylene glycol(DEG) and triethylene glycol(TEG) in the presence and in the absence of sodium acetate for 2 h and 3 h. All synthesized ZnO nanoparticles were characterized by X-ray diffraction (XRD), UV visible spectroscopy (UV), thermogravimetric analysis (TGA), fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy(FESEM), transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy (EDX) technique. All nanoparticles showed different degree of antibacterial and antibiofilm activity against Gram-positive Staphylococcus aureus (NCIM 2654)and Gram-negative Proteus vulgaris (NCIM 2613). The antibacterial and antibiofilm activity was inversely proportional to the size of the synthesized ZnO nanoparticles. Among all prepared particles, ZnO nanoparticles with least size (~ 15 nm) prepared by refluxing zinc acetate dihydrate in diethylene glycol for 3 h exhibited remarkable antibacterial and antibiofilm activity which may serve as potential alternatives in biomedical application.}, doi = {10.1016/j.bbrep.2018.11.007}, author = {Mahamuni, P. P. and Patil, P. M. and Dhanavade, M. J. and Badiger, M. V. and Shadija, P. G. and Lokhande, A. C. and Bohara, R. A.} } @article {46248, title = { Synthesis and reactivity of a hypersilylsilylene }, journal = {Inorganic chemistry}, volume = {58}, year = {2019}, month = {AUG}, pages = {10536-10542}, type = {Article}, abstract = {

Stabilization of an amidinatosilylene with a bulky tris(trimethylsilyl)silyl substituent was realized with the preparation of PhC(NtBu)(2)Si{Si(SiMe3)(3)} (1) from PhC(NtBu)(2)SiHCl2 with K{Si(SiMe3)(3)} in more than 90\% yield. The highly deshielded Si-29 NMR resonance (delta = 76.91 ppm) can be attributed to the absence of a pi-donating substituent. The molecular structure of 1 shows a trigonal-planar geometry around the Si-II center with a Si-II-Si-IV bond length of 2.4339(13) angstrom. A series of reactions of 1 with Me3NO, S, Se, and Te were performed. While siloxane derivatives (2 and 3) are obtained from reactions with Me3NO, silachalcogenones (4-6) are formed with other chalcogens. The presence of Si=E (E = S, Se, and Te) bonds in 4-6 have been confirmed by single crystal X-ray studies. Silaoxirane (7) formation was observed when 1 was treated with acetone, demonstrating the importance of the tris(trimethylsilyl)silyl group to kinetically and thermodynamically protect the silaoxirane derivative with less bulky substituents on the C atom.

}, doi = {10.1021/acs.inorgchem.9b00418}, author = {Bisai, Milan Kumar and Swamy, V. S. V. S. N. and Das, Tamal and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47493, title = {Synthesis, biological evaluation and molecular modeling studies of novel chromone/Aza-chromone fused α-aminophosphonates as Src kinase inhibitors}, journal = {Journal of Scientific and Industrial Research}, volume = {78}, year = {2019}, month = {FEB}, pages = {111-117}, type = {Article}, abstract = {A series of novel chromone/aza-chromone fused α-aminophosphonate derivatives were synthesized in good yields using silica chloride as the catalyst. All the synthesized compounds were tested for their c-Src kinase inhibitory activity. Aza-chromone compound showed Src kinase inhibition with an IC50 value of 15.8 {\textmu}M. The compounds were subjected to molecular docking and dynamics simulations to study the atomic level interactions with an unphosphorylated proto-oncogenic tyrosine protein kinase Src (PDB code 1Y57) as well as phosphorylated tyrosine protein kinase Src (PDB code 2H8H). Docking and molecular dynamic results revealed phosphorylated Src tyrosine kinase protein better results than unphosphorylated tyrosine Src kinase protein. Chemoinformatics study revealed the compounds had lead like properties. Machine learning (SVR) models were built to study the structure activity correlations. A CC of 0.835 was obtained when the SVR model was applied to the 17 synthesized compounds. It is envisaged that the work will provide guidelines for future drug design efforts for Src kinase inhibitors.}, author = {Bapat, Sanket and Viswanadh, N. and Mujahid, M. and Shirazi, Amir Nasrolahi and Tiwari, Rakesh and Parang, Keykavous and Karthikeyan, Muthukumarasamy and Muthukrishnan, M. and Vyas, Renu} } @article {46223, title = {Synthesis, biological evaluation and molecular modeling studies of novel chromone/Aza-Chromone fused alpha-aminophosphonates as src kinase inhibitors}, journal = {Journal of Scientific \& Industrial Research}, volume = {78}, year = {2019}, month = {FEB}, pages = {111-117}, type = {Article}, abstract = {

A series of novel chromone/aza-chromone fused alpha-aminophosphonate derivatives were synthesized in good yields using silica chloride as the catalyst. All the synthesized compounds were tested for their c-Src kinase inhibitory activity. Aza-chromone compound showed Src kinase inhibition with an IC50 value of 15.8 mu M. The compounds were subjected to molecular docking and dynamics simulations to study the atomic level interactions with an unphosphorylated proto-oncogenic tyrosine protein kinase Src (PDB code 1Y57) as well as phosphorylated tyrosine protein kinase Src (PDB code 2H8H). Docking and molecular dynamic results revealed phosphorylated Src tyrosine kinase protein better results than unphosphorylated tyrosine Src kinase protein. Chemoinformatics study revealed the compounds had lead like properties. Machine learning (SVR) models were built to study the structure activity correlations. A CC of 0.835 was obtained when the SVR model was applied to the 17 synthesized compounds. It is envisaged that the work will provide guidelines for future drug design efforts for Src kinase inhibitors.

}, author = {Bapat, S. and Viswanadh, N. and Mujahid, M. and Shirazi, A. N. and Tiwari, R. K. and Parang, K. and Karthikeyan, M. and Muthukrishnan, M. and Vyas, Renu} } @article {45480, title = {Synthesis, characterization, pharmacological and computational studies of 4, 5, 6, 7-tetrahydro-1, 3-benzothiazole incorporated azo dyes}, journal = {Journal of Molecular Structure}, volume = {1179}, year = {2019}, month = {MAR}, pages = {630-641}, type = {Article}, abstract = {

The present work describes the synthesis of five novel heterocyclic azo dyes (4a-4e) through conventional diazo-coupling reaction of 4, 5, 6, 7-tetrahydro-1, 3-benzothiazole with various coupling compounds at 0-5 degrees C. The chemical structures of the synthesized azo dyes were characterized by both theoretical and experimental techniques. All the synthesized molecules were evaluated for their antioxidant activity by two different techniques such as DPPH and FRAP. The results indicated that all the synthesized compounds proved to be potent antioxidants. The anti-mycobacterial activity of the azo dyes was tested against M. tuberculosis and the compounds 4a and 4e showed higher activity among the tested dyes. The DNA binding studies showed effective intercalation properties between the azo dyes and CT-DNA. Finally, the molecular docking studies indicated a possible interaction of the azo dyes with target receptor RpsA. (C) 2018 Elsevier B.V. All rights reserved.

}, keywords = {Azo dyes, Benzothiazole, CT-DNA, DFT, tuberculosis}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2018.11.041}, author = {Maliyappa, M. R. and Keshavayya, J. and Mallikarjuna, N. M. and Krishna, P. Murali and Shivakumara, N. and Sandeep, Telkar and Sailaja, Krishnamurty and Nazrulla, Mohammed Azeezulla} } @article {46417, title = {Synthesis of a 3D free standing crystalline NiSex matrix for electrochemical energy storage applications}, journal = {Dalton Transactions}, volume = {48}, year = {2019}, month = {DEC }, pages = {16873-16881}, type = {Article}, abstract = {

The electrochemical performance for energy storage of three-dimensional (3D) self-supported heterogeneous NiSex cubic-orthorhombic nanocrystals grown by a facile one-step chemical vapour deposition (CVD) approach on Ni foam substrates has been explored. NiSex shows a high specific capacitance of 1333 F g(-1) with ultra-high energy (105 W h kg(-1)) and power (54 kW kg(-1)) densities. Furthermore, by integrating the as-grown NiSex as the anode and reduced graphene oxide as the cathode, a hybrid super-capacitor (HSC) prototype with a coin cell configuration has been fabricated. The device shows better capacitance (40 F g(-1)) with high energy (22 W h kg(-1)) and power (5.8 kW kg(-1)) densities and robust cycling durability (similar to 88\% capacitance retention after 10 000 repeated cycles). For practical reliability of the as-fabricated HSC, a red LED has been illuminated by connecting it with two charged coin cells. These outstanding performances of the HSC prove to be promising for applications in high energy storage systems.

}, issn = {1477-9226}, doi = {10.1039/c9dt03150b}, author = {Dinara, Syed Mukulika and Samantara, Aneeya K. and Das, Jiban K. and Behera, J. N. and Nayak, Saroj K. and Late, Dattatray J. and Rout, Chandra Sekhar} } @article {47483, title = {Synthesis of biphasic nanomaterials based on ZnO and SnO2: application towards photocatalytic degradation of acid red dye}, journal = {Nano-Structures \& Nano-Objects}, volume = {18}, year = {2019}, month = {APR}, type = {Article}, abstract = {Zn2SnO4/SnO2 and ZnO/SnO2 biphasic nanocatalysts have been synthesized by a facile solvothermal method using ethylene glycol (EG) as solvent in three different ways maintaining the pH of the solution at either 3 or 9 followed by calcination at 700 {\textdegree}C. The nanocatalysts are characterized by different techniques to investigate their structure, composition, morphology and optical properties. The XRD results indicate the formation of pristine biphasic composites. The UV-absorbance and photoluminescence spectra confirms the formation of biphasic composites as well as presence of large number of defects in the prepared nanocatalysts. The biphasic nanocomposites possess better photocatalytic activity towards the degradation of Acid Red-183 (AR-183) dye than pristine SnO2 and ZnO nanoparticles. This is mainly due to better charge separation, minimal recombination rate of charge carriers and defect-riched structures of nanocatalysts.}, doi = {10.1016/j.nanoso.2019.100292}, author = {Kudale, Ananada S. and Kamble, Santosh B. and Gore, Anil H. and Pisal, Mahesh M. and Salokhe, Anil T. and Kolekar, Govind B. and Helavi, Vasant B.} } @article {46281, title = {Synthesis of deuterated isopentyl pyrophosphates for chemo-enzymatic labelling methods: GC-EI-MS based 1,2-hydride shift in epicedrol biosynthesis}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {SEP}, pages = { 28258-28261}, type = {Article}, abstract = {

A sesquiterpene epicedrol cyclase mechanism was elucidated based on the gas chromatography coupled to electron impact mass spectrometry fragmentation data of deuterated (H-2) epicedrol analogues. The chemo-enzymatic method was applied for the specific synthesis of 8-position labelled farnesyl pyrophosphate and epicedrol. EI-MS fragmentation ions compared with non-labelled and isotopic mass shift fragments suggest that the H-2 of C6 migrates to the C7 position during the cyclization mechanism.

}, doi = {10.1039/c9ra00163h}, author = {Said, Madhukar S. and Navale, Govinda R. and Gajbhiye, Jayant M. and Shinde, Sandip S.} } @article {46203, title = {Synthesis of hexaphenylbenzene-based template assembled synthetic proteins}, journal = {Tetrahedron Letters}, volume = {60}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

Template-assembled synthetic proteins (TASPs) synthesized from rigid templates have attracted attention due to their interesting structural architectures and potential biomedical applications. Herein, we report the design, synthesis and characterizations of TASPs based on hexaphenylbenzene template (HPB) having twelve peptide attachable axial-arms in its structure. The peptides were attached to all the axial-arms of the template in a single step using simple solution phase peptide coupling strategy. The reaction conditions were standardized systematically using simple amines from smaller size to larger ones. (C) 2019 Elsevier Ltd. All rights reserved.

}, doi = {10.1016/j.tetlet.2019.07.011}, author = {Madhu, Suresh and Madica, Krishnaprasad and Gonnade, Rajesh and Sanjayan, Gangadhar J} } @article {46440, title = {Synthesis of high surface area porous carbon from anaerobic digestate and it{\textquoteright}s electrochemical study as an electrode material for ultracapacitors}, journal = {RSC Advances}, volume = {9}, year = {2019}, month = {NOV}, pages = {36343-36350}, type = {Article}, abstract = {

The remnants of the anaerobic digestion process, {\textquoteleft}the digestate,{\textquoteright} mainly consist of fibrous lignin and cellulose like molecules, as a significant carbon repository along with some other inorganic impurities. The present work demonstrates the potential use of anaerobically treated fruit and vegetable waste (FVW) as a source of porous carbon for supercapacitor electrode materials. This work suggests that the FVW digestate can inherit silicon (Si) and calcium (Ca) based inorganic impurities, which play an essential role as structure directing agents for digestate derived carbon. These contaminants act as hard templates during carbonization to create hierarchical pores and contribute to an enhancement in surface area. Different batches from an anaerobic biogas digester plant are converted to porous carbon and examined as a potential supercapacitor electrode material. A maximum capacitance of 235 F g(-1) is achieved from DDHPC-4kh carbon with a specific surface area of 2502 m(2) g(-1) at a current density of 1 A g(-1) in an acidic aqueous electrolyte. The results are significant in comparison to other bio-sourced precursors studied previously.

}, doi = {10.1039/c9ra06603a}, author = {Chaturvedi, Vikash and Usangonvkar, Saurabh and Shelke, Manjusha V.} } @article {46314, title = {Synthesis of new 1,3,4-oxadiazole and benzothiazolylthioether derivatives of 4-arylmethylidene-3-substituted-isoxazol-5(4H)-one as potential antimycobacterial agents}, journal = {Medicinal Chemistry Research}, volume = {28}, year = {2019}, month = {NOV}, pages = {1873-1884}, type = {Article}, abstract = {

A new series of 4-[(substituted benzylidene)-3-[(5-(pyridine-4-yl)-1,3,4-oxadiazole-2-ylthio)-methyl]i soxazol-5(4H)-one (6a-g) and 4-(substituted benzylidene)-3-((benzo[d]thiazol-2-ylthio)methyl)isoxazol-5(4H)-one (8a-g) was synthesized. All the synthesized compounds were screened for antitubercular activity against Mycobacterium tuberculosis H37Ra (ATCC 25177) and Mycobacterium bovis BCG (ATCC 35743) and antibacterial activity against Escherichia coli (NCIM 2576), Pseudomonas flurescence (NCIM 2059), Staphylococcus aureus (NCIM 2602), Bacillus subtilis (NCIM 2162). Amongst the synthesized 1,3,4-oxadiazole and benzothiazoyl thioether derivatives, compounds 6b and 8b showed excellent antimycobacterial activity and compounds 6b, 8a, 8b, and 8d showed excellent antibacterial activity against all tested antibacterial strains. The synthesized compounds were further evaluated for their cytotoxic activity against the HCT 116 and HeLa cancer cell lines. The 1,3,4-oxadiazole and benzothiazoyl thioether derivatives 6a-g and 8a-g did not show cytotoxicity.

}, keywords = {1, 3, 4-Oxadiazole, antibacterial activity, Antitubercular activity, Benzothiazol, Isoxazol-5(4H)-one, Thioeteher}, issn = {1054-2523}, doi = {10.1007/s00044-019-02420-7}, author = {Chavan, Abhijit P. and Deshpande, Rujuta R. and Borade, Nandkumar A. and Shinde, Abhijit and Mhaske, Pravin C. and Sarkar, Dhiman and Bobade, Vivek D.} } @article {46164, title = {Synthesis of ultrathin PEDOT on carbon nanotubes and shear thinning xanthan Gum-H2SO4 gel electrolyte for supercapacitors}, journal = {ChemElectroChem}, volume = {6}, year = {2019}, month = {MAR }, pages = {1861-1869}, type = {Article}, abstract = {

Resistance of the electrode material play a vital role for applications in supercapacitors, where lowering the resistance leads to improved performance. Poly(3,4-ethylene dioxythiophene) (PEDOT) possesses high theoretical conductivity; however, the high density of grain boundaries, low accessible surface area, and low rate capability have been pervasive issues affecting the PEDOT-based supercapacitors. To this end, a hydrothermal method is proposed in this work where oxygen functional groups incorporated on the surface of carbon nanotubes (CNTs) are utilized to polymerize 3,4-ethylenedioxythiophene (EDOT). PEDOT forms an ultrathin, well-aligned coating on the surface of CNTs. This arrangement minimizes the number of grain boundaries and increases the electrochemically active surface area. Additionally, a shear-thinning Xanthan gum-H2SO4 gel electrolyte is introduced to overcome the low impregnation of the conventional polyvinyl-based electrolyte due to the hydrophobicity of the CNT-PEDOT composite. A supercapacitor based on this material showed a very low Equivalent Series Resistance (ESR) of 0.31 which leads to a high power density of 74 W cm(-3).

}, keywords = {gel electrolyte, PEDOT, shear thinning, supercapacitor, xanthan gum}, issn = {2196-0216}, doi = {10.1002/celc.201801780}, author = {Soni, Roby and Bhange, Siddheshwar N. and Athira, E. and Chetry, Rashmi and Kurungot, Sreekumar} } @article {46175, title = {Targeted phenotypic screening in plasmodium falciparum and toxoplasma gondii reveals novel modes of action of medicines for malaria venture malaria box molecules (vol 3, e00534-17, 2018)}, journal = {MSphere}, volume = {4}, year = {2019}, month = {APR}, pages = {e00159-19}, type = {Correction}, issn = {2379-5042}, doi = {10.1128/mSphere.00159-19}, author = {Subramanian, Gowtham and Belekar, Meenakshi A. and Shukla, Anurag and Tong, Jie Xin and Sinha, Ameya and Chu, Trang T. T. and Kulkarni, Akshay S. and Preiser, Peter R. and Reddy, D. Srinivasa and Tan, Kevin S. W. and Shanmugam, Dhanasekaran and Chandramohanadas, Rajesh} } @article {46116, title = {Taxonomic insights into the phylogeny of Bacillus badius and proposal for its reclassification to the genus Pseudobacillus as Pseudobacillus badius comb. nov. and reclassification of Bacillus wudalianchiensis Liu et al.}, journal = {Systematic and Applied Microbiology}, volume = {42}, year = {2019}, month = {MAY}, pages = {360-372}, type = {Article}, abstract = {

The species Bacillus badius is one of the oldest members of the genus Bacillus isolated from faeces of children and was classified based on its ability to form endospores [8]. In 16S rRNA gene sequence and phylogenetic analysis, Bacillus badius DSM 23(T) shared low similarity (93.0\%) and distant relationship with B. subtilis, the type species of the genus Bacillus indicating that it does not belong to this genus. Additional strains of the species, B. badius DSM 5610, DSM 30822 and B. encimensis SGD-V-25 (which has been recently reclassified as a member of this species) were included in the study to consider intraspecies diversity. Detailed molecular phylogenetic and comparative genome analysis clearly showed that the strains of B. badius were consistently retrieved outside the cluster of Bacillus sensu stricto and also distantly related to the genera Domibacillus and Quasibacillus. Further, the data from biochemical reactions (inability to ferment most carbohydrates), polar lipids profile (presence of diphosphatidylglycerol, phosphatidylglycerol, phosphatidylethanolamine and an aminophosphoglycolipid) and fatty acids supported the molecular analysis. Thus the four B. badius strains; DSM 23(T), DSM 5610, DSM 30822 and SGD-V-25 displayed sufficient demarcating phenotypic characteristics that warrant their classification as members of a novel genus and single species, for which the name Pseudobacillus badius gen. nov. comb. nov. is proposed with Pseudobacillus badius DSM 23(T) (= ATCC 14574(T)) as the type strain. Additionally, based on our findings from phenotypic, chemotaxonomic and genotypic parameters, Bacillus wudalianchiensis DSM 100757(T) was reclassified as Pseudobacillus wudalianchiensis comb. nov. (C) 2019 Elsevier GmbH. All rights reserved.

}, keywords = {16S rRNA, Bacillus, Bacillus wudalianchiensis, Fatty acids, polar lipids, Pseudobacillus}, issn = {0723-2020}, doi = {10.1016/j.syapm.2019.03.003}, author = {Verma, Ashish and Pal, Yash and Ojha, Anup Kumar and Kumari, Munesh and Khatri, Indu and Rameshkumar, N. and Schumann, Peter and Dastager, Syed G. and Mayilraj, Shanmugam and Subramanian, Srikrishna and Krishnamurthi, Srinivasan} } @article {45605, title = {Telescoped sequence of exothermic and endothermic reactions in multistep flow synthesis}, journal = {Organic Process Research and Development}, year = {2019}, month = {JAN}, pages = {Article ASAP}, type = {Article}, abstract = {A multistep sequential flow synthesis of isopropyl phenol is demonstrated, involving 4-step exothermic, endothermic, and temperature sensitive reactions such as nitration, reduction, diazotization, and high temperature hydrolysis. Nitration of cumene with fuming nitric acid produces 2- and 4-nitrocumene which are converted into respective cumidines by the hydrogenation using Pd/Ni catalyst in H-cube with gravity separation. Hydrolysis of in situ generated diazonium salts in the boiling acidic conditions is carried out using integration of flow and microwave-assisted synthesis. 58\% of 4-isopropyl phenol was obtained. The sequential flow synthesis can be applied to synthesize other organic compounds involving this specific sequence of reactions.}, doi = {10.1021/acs.oprd.8b00008}, author = {Sharma, Y. and Nikam, A. V. and Kulkarni, A. A.} } @article {46244, title = { Temperature-dependent phonon dynamics of supported and suspended monolayer tungsten diselenide }, journal = {AIP Advances}, volume = {9}, year = {2019}, month = {AUG}, type = {Article}, abstract = {

Two-dimensional materials exhibit great potential for high-performance electronics applications and the knowledge of their thermal properties is extremely necessary, since they are closely related to efficient heat dissipation and electron-phonon interactions. In this study we report the temperature-dependence of the out-of-plane A(1g) Raman mode of suspended and supported CVD-grown single-crystalline tungsten diselenide (WSe2) monolayer. The A(1g) phonon wavenumber is linearly red-shifted for temperature ranging from 98 to 513 K, with first-order temperature coefficients beta of -0.0044 and -0.0064 cm(-1)/K for suspended and supported monolayer WSe2, respectively. The higher beta module value for supported sample is attributed to the increase of the phonon anharmonicity due to the phonon scattering with the surface roughness of the substrate. Our analysis of the temperature-dependent phonon dynamics reveal the influence of the substrate on thermal properties of monolayer WSe2 and provide fundamental information for developing of atomically-thin 2D materials devices. (C) 2019 Author(s).

}, doi = {10.1063/1.5118004}, author = {Carvalho, Thais C. V. and Araujo, Francisco D. V. and dos Santos, Clenilton Costa and Alencar, Luciana M. R. and Ribeiro-Soares, Jenaina and Late, Dattatray J. and Lobo, Anderson Oliveira and Souza Filho, Antonio Gomes and Alencar, Rafael S. and Viana, Bartolomeu C.} } @article {46091, title = {Tf2NH catalyzed 1,6-conjugate addition of 2-hydroxy-p-quinone methides with -functionalized ketones: access to 2,3,4,9-Tetrahydro-1H-xanthenones and 4H-Chromene Derivatives}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {JUN }, pages = {3127-3133}, type = {Article}, abstract = {

A Bronsted acid catalyzed tandem 1,6-conjugate sequential cycloaddition reaction using 2-hydroxy-p-quinone methides and -functionalized ketones is reported. The method allows xanthenones and chromenes to be accessed in moderate to excellent yield with broad substrate scope, which could be further functionalized to give a versatile set of products.

}, keywords = {-Functionalized ketone, 1, 6-Conjugated addition, Bronsted acid, Chromenes, Xanthenones}, issn = {1434-193X}, doi = {10.1002/ejoc.201900370}, author = {Satbhaiya, Shruti and Khonde, Nilesh S. and Rathod, Jayant and Gonnade, Rajesh and Kumar, Pradeep} } @article {46016, title = {Thiazolyl-pyrazole derivatives as potential antimycobacterial agents}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {29}, year = {2019}, month = {MAY}, pages = {1199-1202}, type = {Article}, abstract = {

Mycobacterium tuberculosis (Mtb) is an obligate aerobe that is capable of long-term persistence under conditions of low oxygen tension. A series of thiazolyl-pyrazole derivatives (6a-f, 7a-f, 8c, 8e) were screened for antimycobacterial activity against dormant M. tuberculosis H37Ra (D-MTB) and M. bovis BCG (D-BCG). Nine thiazolyl- pyrazole analogs, 6c, 6e, 7a, 7b, 7c, 7e, 7f, 8c and 8e exhibited promissing minimum inhibitory concentration (MIC) values (0.20-28.25 mu g/mL) against D-MTB and D-BCG strains of Mtb. Importantly, six compounds (7a, 7b, 7e, 7f, 8c and 8e) exhibited excellent antimycobacterial activity and low cytotoxicity at the maximum evaluated concentration of \> 250 mu g/mL. Finally, the promising antimycobacterial activity and lower cytotoxicity profile suggested that, these compounds could be further subjected for optimization and development as a lead, which could have the potential to treat tuberculosis.

}, keywords = {antimycobacterial activity, Cytotoxicity, Pyrazole, thiazoles}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2019.03.020}, author = {Takate, Sushma J. and Shinde, Abhijit D. and Karale, Bhausaheb K. and Akolkar, Hemant and Nawale, Laxman and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {45540, title = {Trans-A(2)B(2) Zn(II) porphyrin dyes with various donor groups and their Co-sensitization for highly efficient dye-sensitized solar cells}, journal = {Dyes and Pigments}, volume = {160}, year = {2019}, month = {JAN}, pages = {386-394}, type = {Article}, abstract = {

{We have designed and synthesized four donor-acceptor based trans-A(2)B(2) Zn(II) porphyrin dyes with various donor moieties and phenylcarboxy as acceptor group in three steps. Two strong electron-donating groups (carbazole, phenothiazine, pyrene and bisthiophene) were attached to porphyrin core to enhance the light absorption of dye molecules and phenylcarboxy acted as acceptor group on TiO2 surface. The alkyl chains present in KP-Zn-CBZ and KP-Zn-PTZ dyes are helpful to suppress the aggregation of dyes at the semiconductor surface. The synthetic route of these dyes was facile, high yield and three steps procedure which involved MacDonald condensation followed by hydrolysis and Zn insertion. The absorption and emission bands of all four dyes were broadened and red shifted due to the charge transfer from donor groups to porphyrin moiety. A wide range of power conversion efficiency was shown by dyes and the order of eta was as followed KP-Zn-PTZ (5.48\%) \> KP-Zn-PYR (3.38\%) \> KP-Zn-CBZ (2.64\%) \> KP-Zn-BTP (1.71\%). Co-sensitization of porphyrin dyes with N719 dye promoted the complementary absorption in the visible region and put a restriction on dye aggregation also which improved the cell performance. Co-sensitized KP-Zn-PTZ with N719 dye showed the highest PCE efficiency up to 8.80\% with a J(SC) = 17.4 mA cm(-2)

}, issn = {0143-7208}, doi = {10.1016/j.dyepig.2018.08.029}, author = {Prakash, Kamal and Sudhakar, Vediappan and Sankar, Muniappan and Krishnamoorthy, Kothandam} } @article {46123, title = {Transcriptomics analysis of propiconazole-treated Cochliobolus sativus reveals new putative azole targets in the plant pathogen}, journal = {Functional \& Integrative Genomics}, volume = {19}, year = {2019}, month = {MAY}, pages = {453-465}, type = {Article}, abstract = {

Cochliobolus sativus (anamorph: Bipolaris sorokiniana) is a filamentous fungus from the class Dothideomycetes. It is a pathogen of cereals including wheat and barley, and causes foliar spot blotch, root rot, black point on grains, head blight, leaf blight, and seedling blight diseases. Annual yields of these economically important cereals are severely reduced due to this pathogen attack. Evolution of fungicide resistant pathogen strains, availability of a limited number of potent antifungal compounds, and their efficacy are the acute issues in field management of phytopathogenic fungi. Propiconazole is a widely used azole fungicide to control the disease in fields. The known targets of azoles are the demethylase enzymes involved in ergosterol biosynthesis. Nonetheless, azoles have multiple modes of action, some of which have not been explored yet. Identifying the off-target effects of fungicides by dissecting gene expression profiles in response to them can provide insights into their modes of action and possible mechanisms of fungicide resistance. Moreover it can also reveal additional targets for development of new fungicides. Hence, we analyzed the global gene expression profile of C. sativus on exposure to sub-lethal doses of propiconazole in a time series. The gene expression patterns were confirmed using quantitative reverse transcriptase PCR (qRT-PCR). This study revealed overexpression of target genes from the sterol biosynthesis pathway supporting the reported mode of resistance against azoles. In addition, some new potential targets have also been identified, which could be explored to develop new fungicides and plant protection strategies.

}, keywords = {Bipolaris sorokiniana, Cochliobolus sativus, Fungicide resistance, Propiconazole, RNA-seq, Transcriptomics analysis}, issn = {1438-793X}, doi = {10.1007/s10142-019-00660-9}, author = {Somani, Deepika and Adhav, Ragini and Prashant, Ramya and Kadoo, Narendra Y.} } @article {46195, title = {Transition-metal-free benzannulation of tricarbonyl derivatives with arynes: access to 1,3-dinaphthol precursors for the synthesis of rhodamine dye analogues}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {FEB}, pages = {2269-2276}, type = {Article}, abstract = {

Herein, we report a transition-metal-free annulation reaction of benzynes and 1,3-oxopentanedioate for the synthesis of highly functionalized naphthalene derivatives for the first time. Additionally, the representative naphthalene derivatives have been successfully transformed into the new series of rhodamine dye analogues.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.8b02560}, author = {Ghotekar, Ganesh S. and Shaikh, Aslam C. and Muthukrishnan, M.} } @article {46134, title = {Triazine functionalized porous covalent organic framework for photo-organocatalytic E-Z isomerization of olefins}, journal = {Journal of the American Chemical Society}, volume = {141}, year = {2019}, month = {APR }, pages = {6152-6156}, type = {Article}, abstract = {

Visible light-mediated photocatalytic organic transformation has drawn significant attention as an alternative process for replacing thermal reactions. Although precious metal/organic dyes based homogeneous photocatalysts have been developed, their toxic and nonreusable nature makes them inappropriate for large-scale production. Therefore, we have synthesized a triazine and a keto functionalized nonmetal based covalent organic framework (TpTt) for heterogeneous photo catalysis. As the catalyst shows significant absorption of visible light, it has been applied for the photocatalytic uphill conversion of trans-stilbene to cis-stilbene in the presence of blue light-emitting diodes with broad substrate scope via an energy transfer process.

}, issn = {0002-7863}, doi = {10.1021/jacs.9b01891}, author = {Bhadra, Mohitosh and Kandambeth, Sharath and Sahoo, Manoj K. and Addicoat, Matthew and Balaraman, Ekambaram and Banerjee, Rahul} } @article {46243, title = {Two-step sequence of acetalization and hydrogenation for synthesis of diesel fuel additives from furfural and diols.}, journal = {Energy \& Fuels}, volume = {33}, year = {2019}, month = {AUG}, pages = {7466-7472}, type = {Article}, abstract = {

Acetalization of diols with furfural and subsequent hydrogenation of acetal products provided potential fuel additives that could be blended into commercial diesel. Glycerol could be an interesting polyol for acetalization with furfural due to its low cost, and it is produced as a byproduct in very large amount in the process of biodiesel production. In this work, glycerol acetalization with furfural has been selected as a model reaction. Acetalization reaction was performed under neat conditions (solventless) with 1:1 molar ratio of furfural and glycerol at room temperature over various acid catalysts, including homogeneous and heterogeneous acids. Among several catalysts, Zr-Mont, a heterogeneous solid acid having controlled acidity, gave as high as 78\% isolated yield of acetal products. Interestingly, acetal products can be isolated in pure form by performing extraction using cyclohexane that enables selective extraction of product, and unreacted glycerol and furfural were left in aqueous phase, which can be recycled. Further, to make fuel components from isolated acetal product of glycerol and furfural, hydrogenation was performed over a series of supported noble-metal catalysts under low H-2 pressure at room temperature. Among them, 5\% Pd/C showed very high activity for ring hydrogenation that resulted in high yield of hydrogenation products. However, hydrogenated product contains free hydroxyl group that needs to be subsequently etherified or acetylated. Interestingly, etherified derivative was obtained in high yield compared to acetylated derivative. In addition, several other diols were treated with furfural and their products were subsequently hydrogenated over 5\% Pd/C under very low H-2 pressure. The properties of resulting compounds were investigated so as to find most suitable candidates as additives to commercial diesel.

}, doi = {10.1021/acs.energyfuels.9b01640}, author = {Patil, Anil and Shinde, Suhas and Kamble, Sanjay and Rode, Chandrashekhar, V} } @inbook {47482, title = {Ultrasound assisted extraction of the polysaccharide from Tuber aestivum and its in vitro anti-hyperglycemic activity}, booktitle = {Bioactive Carbohydrates and Dietary Fibre}, volume = {20}, year = {2019}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {Tuber aestivum is one of the most popular and delicious truffles in the world economic market and is reported to possess a wide range of biological activities. The total carbohydrate of this truffle constitutes about 5.65\% w/w dry weight basis (dwb). The present work compares the yield of the polysaccharide obtained by conventional hot water extraction followed by alcohol precipitation, and ultrasound assisted extraction using low power 150 W probe sonifier. The parameters of ultrasound assisted extraction (amplitude, extraction time, pH, and liquid-solid ratio) from the fruiting body of T. aestivum were optimized using Taguchi orthogonal array and central composite design. The optimal parameters of extraction were a liquid-solid ratio of 75:1 for 15 min at pH 6.5 at an amplitude of 25\%, which yielded 68.91 {\textpm} 1.54\% w/w dwb polysaccharide. The FTIR and SEM characteristics of the polysaccharides obtained by ultrasonic extraction and conventional hot water extraction were similar. Further, the polysaccharides extracted from T. aestivum demonstrated a significant in vitro anti-hyperglycemic activity.}, doi = {10.1016/j.bcdf.2019.100198}, author = {Mudliyar, Devshri S. and Wallenius, Janne H. and Bedade, Dattatray K. and Singhal, Rekha S. and Madi, Nuri and Shamekh, Salem S.} } @article {45578, title = {Understanding the behavior of mixtures of protic-aprotic and protic-protic ionic liquids: conductivity, viscosity, diffusion coefficient and ionicity}, journal = {Journal of Molecular Liquids}, volume = {276}, year = {2019}, month = {FEB}, pages = {986-994}, type = {Article}, abstract = {We have investigated the physicochemical properties such as electrical conductivity, viscosity and diffusion coefficient for the binary mixtures of protic ionic liquids with aprotic ionic liquids and of protic with protic ionic liquids at 298.15 K. A significant enhancement in the electrical conductivity is observed for the binary mixtures of ionic liquids, as compared to those of the constituent pure ionic liquids and varied with the composition of the mixtures. The viscosity of binary mixtures of protic with aprotic ionic liquids, 1-butyl-3-methylimidazoliumbis(trifluoromethylsulfonyl)imide [bmIm][NTf2], 1-butyl-1-methylpyrrolidiumbis(trifluoromethylsulfonyl)imide [bmPyrr][NTf2] and 1,3-dimethylimidazolium methyl sulfate, [mmIm][CH3SO4] decreases with an increase in the composition of the [HmIm][CH3COO]. On the contrary, the viscosity for binary mixtures of protic with protic ionic liquid, 1-methylpyrrolidium acetate [HmPyrr][CH3COO] and 4-methylmorpholine acetate [HmMorph][CH3COO] increases upon the addition of 1-methylimidazolium acetate [HmIm][CH3COO]. The self diffusion coefficients were determined for all the binary mixtures of ionic liquids by using Pulsed Gradient Spin Echo (PGSE) NMR method. Self diffusion coefficients of [bmIm][NTf2]-[HmIm][CH3COO], [bmPyrr][NTf2]-[HmIm][CH3COO], [mmIm][CH3SO4]-[HmIm][CH3COO] are enhanced, while those of [HmPyrr][CH3COO]-[HmIm][CH3COO] and [HmMorph][CH3COO]-[HmIm][CH3COO] decreases on addition of [HmIm][CH3COO]. This is converse in the case of viscosity. Furthermore, the above correlations were interpreted with the help of NMR spectroscopy on the basis of interactions of ions in the binary mixtures of ionic liquids. Finally, we have quantified the ionicity through the Nernst{\textendash}Einstein equation and have confirmed the validity of the Walden rule for the binary mixture of ionic liquids.}, doi = {10.1016/j.molliq.2018.12.024}, author = {Thawarkar, S. and Khupse, N. D. and Shinde, D. R. and Kumar, A.} } @article {46098, title = {Use of Plackett-Burman design for enhanced phytase production by Williopsis saturnus NCIM 3298 for applications in animal feed and ethanol production}, journal = {3 Biotech}, volume = {9}, year = {2019}, month = {JUN}, pages = {237}, type = {Article}, abstract = {

Distiller-dried grain solid (DDGS), a co-product of alcohol production, contains cereal grain residues, proteins, and yeast metabolites, which make it suitable in poultry feeding. However, high phytate content of DDGS limits its applicability in poultry feed. In this study, Plackett-Burman design was used to improve cell-bound phytase production by Williopsis saturnus NCIM 3298, and we achieved an enzyme activity of 269IU/g of dry-wet biomass. The effect of this enhanced phytase-displaying yeast strain on hydrolysis of corn phytate and subsequently on ethanol production and DDGS quality was then investigated. Results of saccharification in the presence of phytase showed that reducing sugar content of liquefied mash increased by 11\%, which subsequently improved the ethanol production by 18\% (w/v) (p\<0.01) compared with the control. Notably, phytase treatment decreased the phytate content of corn by 70\% (p\<0.01) compared with the control, thereby improving the availability of free phosphate in fermentation broth and DDGS. Thus, the results obtained suggest that the addition of W. saturnus NCIM 3298 strain has the potential of providing a new source of phytase that would be useful in the feed and ethanol industries.

}, keywords = {DDGS, Ethanol, Phytase, Plackett-Burman Design, Williopsis saturnus NCIM 3298}, issn = {2190-572X}, doi = {10.1007/s13205-019-1764-y}, author = {Pable, Anupama A. and Shah, Sarah and Kumar, V. Ravi and Khire, Jayant M.} } @article {46293, title = {Using diphenyleneiodonium to induce a viable but non-culturable phenotype in Mycobacterium tuberculosis and its metabolomics analysis}, journal = {Plos One}, volume = {14}, year = {2019}, month = {AUG}, pages = {e0220628}, type = {Article}, abstract = {

Depletion of oxygen levels is a well-accepted model for induction of non-replicating, persistent states in mycobacteria. Increasing the stress levels in mycobacterium bacilli facilitates their entry into a non-cultivable, dormant state. In this study, it was shown that diphenyleneiodonium, an inhibitor of NADH oxidase, induced a viable, but non-culturable state in mycobacteria, having similar features to dormant bacilli, like loss of acid-fastness, upregulation of stress-regulated genes and decreased superoxide levels as compared to actively growing bacilli. Comprehensive, untargeted metabolic profiling also confirmed a decrease in biogenesis of amino acids, NAD, unsaturated fatty acids and nucleotides. Additionally, an increase in the level of lactate, fumarate, succinate and pentose phosphate pathways along with increased mycothiol and sulfate metabolites, similar to dormant bacilli, was observed in the granuloma. These non-cultivable bacilli were resuscitated by supplementation of fetal bovine serum, regaining their culturability in liquid as well as on agar medium. This study focused on the effect of diphenyleneiodonium treatment in causing mycobacteria to rapidly transition from an active state into a viable, but non-cultivable state, and comparing their characteristics with dormant phenotypes.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0220628}, author = {Yeware, Amar and Gample, Suwarna and Agrawal, Sonia and Sarkar, Dhiman} } @article {46102, title = {Visible light mediated, metal and oxidant free highly efficient cross dehydrogenative coupling (CDC) reaction between quinoxalin-2(1H)-ones and ethers}, journal = {New Journal of Chemistry}, volume = {43}, year = {2019}, month = {MAY}, pages = {7403-7408}, type = {Article}, abstract = {

The efficient and metal free, white light mediated 3C alkylation of quinoxalin-2(1H)-ones via a cross dehydrogenative coupling reaction with cyclic ethers using eosin Y as a photocatalyst is described. This reaction has broad substrate scope and strong functional group tolerance with good to excellent yields.

}, issn = {1144-0546}, doi = {10.1039/c9nj00075e}, author = {Mane, Kishor D. and Kamble, Rohit B. and Suryavanshi, Gurunath} } @article {46340, title = {Water-promoted surface basicity in FeO(OH) for the synthesis of pseudoionones (PS) and their analogues}, journal = {Journal of Catalysis}, volume = {378}, year = {2019}, month = {OCT}, pages = {80-89}, type = {Article}, abstract = {

Use of Iron oxyhydroxide (gamma-FeO(OH)) as a robust catalyst for the synthesis of important intermediates like pseudoionones and their analogues through the C-C bond formation reactions like knoevenagel and aldol condensation is explored. These motifs are the building blocks for the construction of the sesquiterpenes as well as the diterpenes such as retinoic acid, Vitamin A etc. Iron oxyhydroxide (gamma-FeO(OH)) was synthesized and well characterized using XRD, FT-IR, TEM, XPS and adsorption studies to establish the catalytic activity. A thorough investigation on the nature of basic sites and the role of water as a promoter was explored based on dye adsorption, in situ methanol dissociation and CO2 adsorption studies. The catalyst also showed a wide range of substrate scope with active methylene groups involving various functional groups such as cyanides, esters and acetophenones along with its stability and reproducibility. (C) 2019 Elsevier Inc. All rights reserved.

}, keywords = {Bronsted basicity, Iron (III) oxyhydroxide, Knoevenagel condensation, Pseudoionones, Surface hydroxyl groups}, issn = {0021-9517}, doi = {10.1016/j.jcat.2019.08.026}, author = {Vernekar, Dnyanesh and Sakate, Sachin S. and Rode, Chandrashekhar V. and Jagadeesan, Dinesh} } @article {45510, title = {What news in the surface chemistry of bulk and supported vanadia based SCR-catalysts: improvements in their resistance to poisoning and thermal sintering}, journal = {Chemical Record}, volume = {19}, year = {2019}, month = {OCT}, pages = {1813-1828}, type = {Article}, abstract = {

This paper reports a short review on the impact of poisoning effects and thermal aging on the reactivity of surface vanadate species on benchmark V2O5-WO3/TiO2 Selective-Catalytic-Reduction catalysts. A renewed interest of this SCR technology is related to its diversification notably as after-treatment systems to treat the exhaust from Diesel engines with higher running temperature especially when SCR catalysts are coated on Diesel Particulates Filters. Particular attention is also paid to poisoning effects in conjunction with the progressive replacement of fossil fuels by bio-fuels containing alkaline contaminants which drastically deactivate the catalyst through neutralization of strong acid sites. Most of the investigations show that better insight into the mechanisms of poisoning and aging processes is needed especially to understand the relative sensibility of various vanadate species. This could provide original guidelines to catalyst preparation and or the developments of more stable bulk systems as exemplified.

}, doi = {10.1002/tcr.201800092}, author = {Granger, P. and Siaka, H.W. and Umbarkar, S.B.} } @article {46865, title = {1,6-Conjugate addition initiated formal [4+2] annulation of p-quinone methides with sulfonyl allenols: a unique access to spiro[5.5]undeca-1,4-dien-3-one scaffolds}, journal = {Chemical Communications}, volume = {56}, year = {2020}, month = {MAY }, pages = {5022-5025}, type = {Article}, abstract = {

An expedient one-pot synthesis of carbocyclic spiro[5.5]undeca-1,4-dien-3-ones via 1,6-conjugate addition initiated formal [4+2] annulation sequences by employing p-quinone methides and sulfonyl allenols is presented. Furthermore, this synthetic protocol tolerates a wide variety of p-quinone methides and sulfonyl allenols and affords the corresponding structurally unique spiro[5.5]undeca-1,4-dien-3-ones in good yield under mild reaction conditions.

}, issn = {1359-7345}, doi = {10.1039/d0cc01005g}, author = {Ghotekar, Ganesh S. and Shirsath, Sachin R. and Shaikh, Aslam C. and Muthukrishnan, M.} } @inbook {47147, title = {2,5-Diformylfuran{\textemdash}an oxidation product of 5-hydroxymethylfurfural}, booktitle = {2,5-Diformylfuran{\textemdash}an oxidation product of 5-hydroxymethylfurfural}, number = {Biomass, Biofuels, Biochemicals Recent Advances in Development of Platform Chemicals}, year = {2020}, pages = {95-133}, abstract = {

In the current scenario of depleting fossil-derived resources, biomass is considered a potential feedstock for sustainable energy supply and production of alternative chemicals. Among them, 2,5-diformylfuran (DFF) is one of the most important chemicals having widespread potential applications. DFF is produced from bioderived resources through the catalytic oxidation process. In this chapter, catalytic routes for the production of DFF starting from biomass-derived furan derivatives and sugars (e.g., mono/polysaccharides) are discussed in detail. Comprehensive emphasis is given to the catalysts (e.g., homogeneous and heterogeneous) and enzymes used for the transformation of various bioderived sources into DFF. Moreover, a brief look has also been given at the transformations and applications of DFF.

}, keywords = {2, 5-Diformylfuran, 5-Hydroxymethylfurfural Biomass, Catalysis Chemicals, Oxidation Sugars}, doi = {10.1016/B978-0-444-64307-0.00004-4}, author = {Shinde, Suhas Hanmant and Rode, Chandrashekhar Vasant} } @article {46907, title = {2-D to 3-D conversion of WO3 nanostructures using structure directing agent for enhanced NO2 gas sensing performance}, journal = {Sensors and Actuators A-Physical}, volume = {304}, year = {2020}, month = {APR }, pages = {111882}, type = {Article}, abstract = {

An exotic 3-D tungsten oxide (WO3) microflower was synthesized via low-cost and environmental-friendly hydrothermal strategy. The effect of structure-directing agent on the formation of 3-D microflowers from a 2-D nanosheets of WO3 and its gas sensing behavior are investigated. The assynthesized WO3 powder was used in morphological, structural and phase studies by X-ray diffraction (XRD), scanning electron microscopy (SEM), FT-Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). The WO3 samples were found to be polycrystalline with monoclinic crystal structure. The SEM micrographs revealed the formation of 3-D microflowers made up of two-dimensional (2-D) multi-directional dendritic nanoplates. The potassium hydroxide (KOH) acts as a structure-directing agent in the formation of 3-D microflowers of WO3 sample. To further understand the formation of 3-D microflowers of WO3 sample, concentration-dependent experiments were carried out by varying KOH concentration and the formation mechanism was investigated. The synthesized WO3 microstructures were subjected to detailed gas sensing tests for different gases at an optimized temperature. A selective, sensitive gas response was obtained for WO3 gas sensor. The lower detection limit is about 1 ppm at 150 degrees C working temperature for an optimized WO3 gas sensor. The gas sensing results indicate that the 3-D microflower-like WO3 nanostructures are highly promising for applications as gas sensors. (C) 2020 Published by Elsevier B.V.

}, keywords = {Microflowers, NO2 detection, WO3}, issn = {0924-4247}, doi = {10.1016/j.sna.2020.111882}, author = {Beknalkar, S. A. and Patil, V. L. and Harale, N. S. and Suryawanshi, M. P. and Patil, A. P. and Patil, V. B. and Kim, J. H. and Patil, P. S.} } @article {47290, title = {3 d transition metal-catalyzed hydrogenation of nitriles and alkynes}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {MAR}, pages = {690-708}, type = {Review}, abstract = {

Selective hydrogenation of nitriles and alkynes is crucial considering the vast applications of reduced products in industries and in the synthesis of bioactive compounds. Particularly, the late 3d transition metal catalysts (manganese, iron, cobalt, nickel and copper) have shown promising activity for the hydrogenation of nitriles to primary amines, secondary amines and imines. Similarly, semihydrogenation of alkynes to E- and Z-alkenes by 3d metals is adequately successful both via the transfer hydrogenation and by using molecular hydrogen. The emergence of 3d transition metals in the selective synthesis of industrially relevant amines, imines and alkenes makes this protocol more attractive. Herein, we provide a concise overview on the late 3d transition metal-catalyzed hydrogenation of nitriles to amines and imines as well as semihydrogenation of alkynes to alkenes.

}, keywords = {3d transition metal, Alkynes, Hydrogenation, nitriles, Semihydrogenation}, issn = {1861-4728}, doi = {10.1002/asia.201901762, Early Access Date = FEB 2020}, author = {Sharma, Dipesh M. and Punji, Benudhar} } @article {46680, title = {Access to diverse germylenes and a six-membered dialane with a flexible beta-diketiminate}, journal = {Chemical Communications}, volume = {56}, year = {2020}, month = {OCT}, pages = {11871-11874}, type = {Article}, abstract = {

A nacnac-based tridentate ligand containing a picolyl group (L) was employed to isolate chlorogermylene (1). The reaction of1with another equivalent of GeCl2 center dot dioxane surprisingly gave pyridylpyrrolide-based chlorogermylene (2)viaC-N bond cleavage and C-C coupling, while with AlCl3, it afforded a transmetalated product,4. The reaction of L with AlH3 center dot NMe2Et led to an unusual cyclohexane type six-membered dialane heterocycle (5).

}, issn = {1359-7345}, doi = {10.1039/d0cc05202g}, author = {Pahar, Sanjukta and Swamy, V. S. V. S. N. and Das, Tamal and Gonnade, Rajesh G. and Vanka, Kumar and Sen, Sakya S.} } @inbook {47322, title = {Advanced heterogeneous catalysts volume 1: applications at the nano-scale}, volume = {1359}, year = {2020}, publisher = {American Chemical Society}, organization = {American Chemical Society}, doi = {10.1021/bk-2020-1359}, author = {Sudarsanam, Putla and Singh, Lakhveer} } @inbook {47324, title = {Advanced heterogeneous catalysts volume 2: applications at the single-atom scale}, volume = {1360}, year = {2020}, publisher = {American Chemical Society}, organization = {American Chemical Society}, doi = {10.1021/bk-2020-1360}, author = {Sudarsanam, Putla and Singh, Lakhveer} } @inbook {47323, title = {Advances in single-atom catalysts for lignin conversion}, booktitle = {Advanced Heterogeneous Catalysts Volume 2: Applications at the Single-Atom Scale }, volume = {1360}, year = {2020}, pages = {93-125}, publisher = {ACS }, organization = {ACS }, abstract = {

Single-atom catalysts (SACs) have drawn significant attention as promising surfaces for promoting observable reaction processes. As a guideline, SACs should have the proper nanoscale dimensionality to influence their effective and efficient performance, especially during lignin conversion to platform chemicals and other useful products. The development of SACs for functional applications still has many difficulties, such as harnessing and improving low-coordinated metal atoms to have controlled and observable activities per metal atom. Consequently, the need arises to ensure a decrease in the size of the metal particles and their uniform dispersion or coordination on a suitable support material. This has been an industrial target for a long time in the field of catalysis. Supported metal-based catalysts are not dimensionally uniform, thereby reducing their metal-atom efficiency and frequently leading to undesired side reactions that are sometimes difficult to observe. This makes the identification of the active sites responsible for the reaction of interest very difficult or even impossible. To ameliorate this challenge, the ultimate small-size limit for a metal particle is the SAC, which contains isolated metal atoms singly dispersed on any suitable support materials. It is expected that SACs should maximize the metal-atom efficiency with respect to the application, which is particularly significant for supported metal catalysts. Moreover, through uniform single-atom dispersion, SACs offer a great opportunity for achieving high activity and tuning selectivity to the desired product. This chapter provides a comprehensive overview of recent advances in using SACs for the conversion of lignin or lignin model compounds. The different support materials used for SACs, such as zeolites, metal oxides, and carbonaceous and siliceous materials, are discussed. This contribution also covers the catalytic reactions of lignin with an emphasis on cleaving its specific linkages, along with a systematic evaluation of SACs used in the relevant processes. The chapter also addressed key parameters essential for tailoring the particle size and acid{\textendash}base and redox properties of the SACs used in lignin conversion. Special attention is paid to understanding the role of synthesis conditions in tailoring the size of SACs. It is expected that this contribution will provide future directions for practical SAC development and implementation in lignin conversion.

}, doi = {10.1021/bk-2020-1360.ch005}, author = {Halilu, Ahmed and Umar, Ahmad Abulfathi and Balarabe, Yahaya Umar and Haniffa, Mhd. Abd. Cader Mhd. and Munawar, Khadija and Sunku, Kiran and Sudarsanam, Putla} } @article {46800, title = {Agro-waste extracted cellulose supported silver phosphate nanostructures as a green photocatalyst for improved photodegradation of RhB dye and industrial fertilizer effluents}, journal = {Nanoscale Advances}, volume = {2}, year = {2020}, month = {JUL }, pages = {2870-2884}, type = {Article}, abstract = {

The efficiency and reusability of photocatalysts are the dominant factors for their pragmatic use. The visible light induced semiconductor silver phosphate is a superior photocatalyst effective under visible light but its stability is still an undiscussed issue. To overcome this stability issue in this present manuscript, eco-friendly agro-waste extracted cellulose supported silver phosphate nanostructures have been designed for the first time through a simple chemical process. At first, silver phosphate nanostructures were synthesized by the co-precipitation method. Then, different weights of cellulose were added to the silver nitrate solution to form cellulose supported silver phosphate nanostructures. The photodegradation efficiency for each weight ratio was examined in which the photocatalyst Ag-8 nanostructures showed a high rate (0.024 min(-1)) for degradation of Rhodamine B (RhB) using a low intensity tungsten bulb. Real sample analysis has also been carried out using this photocatalyst for the degradation of industrial fertilizer effluents. The degradation rate of all the nanostructures was found to be high in comparison to pristine silver phosphate as well as the extracted bare cellulose. The photocatalytic activity is enhanced because of the participation of cellulose as a support which makes an interface for silver phosphate and assists it in delaying the charge recombination period under visible light. To understand the photochemical reaction of electrons and holes, scavenger studies were also performed.

}, issn = {2516-0230}, doi = {10.1039/dOna00181c}, author = {Dwivedi, Pravin K. and Nair, Aathira and Mehare, Rupali S. and Chaturvedi, Vikash and Joshi, Kavita and Shelke, V. Manjusha} } @article {46750, title = {AIE emission of SDS capped diphenylanthracene nanoparticles for selective recognition and estimation of Al(3+)ion in aqueous medium based on enhancement effect and analytical application}, journal = {Macromolecular Symposia}, volume = {392}, year = {2020}, month = {AUG}, pages = {2000082}, type = {Proceedings Paper}, abstract = {

The sodium dodecyl sulfate capped 9,10 Diphenylanthracene nanoparticles is prepared by using reprecipitation method. The average particle size of NPs obtained from DLS examination is 67 nm. The aqueous suspension of NPs exhibits red shifted aggregation induces enhanced emission. The zeta potential value-42.9 mV indicates stability of NPs and generation of expected negative surface charge over the NPs to attract and adsorb cations from the solution on the surface. The cation recognition test based on fluorescence shows that the presence of Al(3+)ion significantly enhances the fluorescence of NPs. Furthermore, the proposed system is successfully applied for the detection of Al(3+)ion from environmental water samples and Digene table available in the market. The advantage of developed analytical method is lower value of LOD and even in presence of interfering ion Mg(2+)the Al(3+)is estimated with no need of their separation prior to analysis.

}, keywords = {10-Diphenyl anthracene nanoparticles, aggregation induced enhanced emission, Al(3+)detection, fluorescence enhancement, SDS capped 9}, issn = {1022-1360}, doi = {10.1002/masy.202000082}, author = {Suryawanshi, Sonali B. and Deshmukh, Gunvant R. and Bodake, Anita J. and Patil, Shivajirao R.} } @article {46998, title = {Alkyl-group-wrapped unsymmetrical squaraine dyes for dye-sensitized solar cells: branched alkyl chains modulate the aggregation of dyes and charge recombination processes}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {JAN}, pages = {2555-2565}, type = {Article}, abstract = {

Electron transfer processes at the interfaces dictate the factors that improve the photovoltaic parameters, such as open-circuit voltage (V-oc) and short-circuit current (J(sc)), of a dye-sensitized solar cell device, besides selection of a set of suitable anode, dye, electrolyte, and cathode materials. An inefficient charge injection process at the dye-TiO2 interface and charge recombination at the TiO2-dye/electrolyte interface have detrimental effects on improving both J(sc) and V-oc. Hence, tailoring the factors that govern the improvement of J(sc) and V-oc will be an ideal approach to get the desired sensitizers with good device efficiencies. Squaraines are far-red-active zwitterionic dyes and have a high molar extinction coefficient along with unique aggregation properties due to the large dipole moment associated with them. Here, we report a series of unsymmetrical squaraine dyes, SQS1 to SQS6, with systematic variation of alkyl groups at the sp(3)-C and N-atoms of the indoline unit that is away from the anchoring group to control the dye-dye interactions on the TiO2 surface. The branched alkyl groups help in modulating the self-assembly of sensitizers on the TiO2 surface, besides passivating the surface that helps avoid the charge recombination processes. Light harvesting efficiency and cyclic voltammetry studies of dye-sensitized TiO2 electrodes indicate that the aggregation and charge hopping process between the dye molecules can be modulated, respectively, by systematically increasing the number of carbon atoms in the alkyl groups. Such a variation in the branched alkyl group helps enhance V-oc from 672 (SQS1) to 718 mV (SQS6) and J(sc) from 7.95 (SQS1) to 12.22 mA/cm(2) (SQS6), with the device efficiency ranging from 3.82\% to 6.23\% without any coadsorbent. Dye SQS4 achieves the highest efficiency of 7.1\% (V-oc = 715 mV, J(sc) = 13.05 mA/cm(2)) with coadsorbent chenodeoxycholic acid (CDCA) using an iodine (I-/I-3(-)) electrolyte compared to its analogues. An analysis of the incident photon-to-current efficiency profiles indicates that the major contribution to photocurrent generation is from the aggregated squaraine dyes on TiO2.

}, keywords = {aggregation of dye, charge injection, charge recombination, Dye-sensitized solar cells, unsymmetrical squaraines}, issn = {1944-8244}, doi = {10.1021/acsami.9b19809}, author = {Singh, Ambarish Kumar and Kavungathodi, Munavvar Fairoos Mele and Nithyanandhan, Jayaraj} } @article {46716, title = {Amidinato germylene-zinc complexes: synthesis, bonding, and reactivity}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {OCT }, pages = {3116-3121}, type = {Article}, abstract = {

Despite the explosive growth of germylene compounds as ligands in transition metal complexes, there is a modicum of precedence for the germylene zinc complexes. In this work, the synthesis and characterization of new germylene zinc complexes [PhC(NtBu)(2)Ge{N(SiMe3)(2)}-\> ZnX2](2)(X= Br (2) and I (3)) supported by (benz)-amidinato germylene ligands are reported. The solid-state structures of2and3have been validated by single-crystal X-ray diffraction studies, which revealed the dimeric nature of the complexes, with distorted tetrahedral geometries around the Ge and Zn center. DFT calculations reveal that the Ge-Zn bonds in2and3are dative in nature. The reaction of2with elemental sulfur resulted in the first structurally characterized germathione stabilized ZnBr(2)complexes PhC(NtBu)(2)Ge(=S){N(SiMe3)(2)}-\> ZnBr2(5). Therefore, the Ge=S in5is in-between Ge-S single and Ge=S double bond length, owing to the coordination of a sulfur lone pair of electrons to ZnBr2.

}, keywords = {DFT, Germathione, Germylene, X-ray Structure, zinc}, issn = {1861-4728}, doi = {10.1002/asia.202000807, Early Access Date = SEP 2020}, author = {Yadav, Sandeep and Kumar, Rohit and Raj, K. Vipin and Yadav, Prashant and Vanka, Kumar and Sen, Sakya S.} } @article {46796, title = {Anthrone-spirolactam and quinoline hybrid based sensor for selective fluorescent detection of Fe(3+)ions}, volume = {34}, year = {2020}, month = {OCT}, pages = {e5867}, type = {Article}, abstract = {

The synthesis of a novel, and highly selective Fe(3+)ion sensor based on anthrone-spirolactam and its quinoline hybrid ligand is reported. The designed ligand displayed selective detection of Fe(3+)ions with enhanced fluorescence emission. The complexation of Fe(3+)ion led to a red shift of 32 nm from 420 nm to 452 nm, and a several fold increase in intensity with fluorescent green emission. The complexation (detection) of Fe(3+)ions with ligand resulted in chelation enhanced fluorescence and intramolecular charge transfer through the inhibition of C=N isomerization. This hybrid sensor shows high sensitivity and selectivity, spontaneous response, and works on a wide pH range a minimum detection limit of 6.83 x 10(-8)M. Importantly, the sensor works through the fluorescence turn-on mechanism that overcomes the paramagnetic effect of Fe(3+)ions. The binding mechanism between the ligand and the Fe(3+)ions was established from the Job{\textquoteright}s plot method, optical studies, Fourier transfor infrared spectroscopy, NMR titration, fluorescence life-time studies, and density functional theory optimization. The sensor displayed excellent results in the quantification of Fe(3+)ions from real water samples. Furthermore, due to its biocompatibility nature, fluorescent spotting of Fe(3+)ions in live cells revealed its bioimaging applications.

}, keywords = {anthrone-spirolactam-quinoline, Cell imaging, fluorescence, intramolecular charge transfer, iron}, issn = {0268-2605}, doi = {10.1002/aoc.5867, Early Access Date = JUL 2020}, author = {Darole, Ratanamala S. and Christopher Leslee, Denzil Britto and Mukherjee, Anagh and Gonnade, Rajesh G. and Karuppannan, Sekar and Senthilkumar, Beeran} } @article {46752, title = {Antibacterial properties of glycosylated surfaces: variation of the glucosidal moiety and fatty acid conformation of grafted microbial glycolipids}, journal = {Molecular Systems Design \& Engineering}, volume = {5}, year = {2020}, month = {AUG}, pages = {1307-1316}, type = {Article}, abstract = {

Glycosylated surfaces can display antimicrobial properties. It has been shown that sophorolipids can be used to develop biocidal coatings against Gram-positive and Gram-negative bacteria, but with a limited efficiency so far. Therefore, it appears necessary to further investigate the surface antibacterial activity of a broader set of structurally related glycolipids. The present work explores the influence of the glucosidic moiety (gluco-, sophoro-, cellobio-) and the fatty acid backbone (saturated,cisortransmonounsaturated). We show that the fatty acid backbone plays an important role:cisderivative of sophorolipids (SL) grafted onto model gold surfaces has better biocidal properties than saturated (SL0) andtransmonounsaturated (SLt) molecules, which appear to be inefficient. The number of glucose units is also a key factor: a one-third decrease in antibacterial activity is observed when having one glucose unit (GL) compared to two (SL). Sugar acetylation (SLa) does not seem to have an impact on the biocidal properties of surfaces. These results are not limited to sophorolipids, with cellobioselipids (CL) leading to similar antibacterial observations.

}, issn = {2058-9689}, doi = {10.1039/d0me00059k}, author = {Valotteau, Claire and Roelants, Sophie L. K. V. and Dhasaiyan, Prabhu and Zibek, Susanne and Guenther, Michael and Soetaert, Wim and Everaert, Bernd and Pradier, Claire-Marie and Babonneau, Florence and Baccile, Niki and Humblot, Vincent} } @article {46617, title = {Anticancer potential of AgNPs synthesized using acinetobacter sp. and curcuma aromatica against HeLa cell lines: a comparative study}, journal = {Journal of Trace Elements in Medicine and Biology}, volume = {62}, year = {2020}, month = {DEC}, pages = {126630}, type = {Article}, abstract = {

Background: Biogenic nanoparticles are gaining attention due to their low toxicity and numerous biomedical applications. Present study aimed to compare the potential anticancer activity of two biogenic silver nanoparticles (bAgNPs and pAgNPs) against human cervical cancer cell lines (HeLa). Methods: bAgNPs were synthesized using Acinetobacter sp. whereas pAgNPs were synthesized using aqueous root extract of Curcuma aromatica. Effect of these nanoparticles on HeLa cells viability was studied using MTT assay and colony formation assay. Anticancer potential was determined using fluorescence microscopy and flow cytometry studies. Bio-compatibility studies were performed against peripheral blood mononuclear cells (PBMCs). Results: Both the nanoparticles showed 50 \% viability of peripheral blood mononuclear cells (PBMCs) when used at high concentration (200 mu g/mL). IC50 for bAgNPs and pAgNPs against HeLa cells were 17.4 and 14 mu g/mL respectively. Colony formation ability of Hela cells was reduced on treatment with both nanoparticles. Acridine orange and ethidium bromide staining demonstrated that bAgNPs were cytostatic whereas pAgNPs were apoptotic. JC-1 dye staining revealed that the mitochondrial membrane potential was affected on treatment with pAgNPs while it remained unchanged on bAgNPs treatment. Flow cytometry confirmed cell cycle arrest in HeLa cells on treatment with nanoparticles further leading to apoptosis in case of pAgNPs. About 77 and 58 \% HeLa cells were found in subG1 phase on treatment with bAgNPs and pAgNPs respectively. bAgNPs showed cytostatic effect on HeLa cells arresting the cell growth in subG1 phase, whereas, pAgNPs triggered death of HeLa cells through mitochondrial membrane potential impairment and apoptosis. Conclusion: Overall, bAgNPs and pAgNPs could be safe and showed potential to be used as anticancer nanoantibiotics against human cervical cancer cells.

}, keywords = {Acinetobacter sp., AgNPs, Anticancer, Curcuma aromatica, HeLa cells, PBMCs}, issn = {0946-672X}, doi = {10.1016/j.jtemb.2020.126630}, author = {Nadhe, Shradhda B. and Tawre, Madhumita S. and Agrawal, Sonia and Chopade, Balu A. and Sarkar, Dhiman and Pardesi, Karishma} } @article {47014, title = {Antidiabetic activity of dihydropyrimidine scaffolds and structural insight by single crystal x-ray studies}, journal = {Medicinal Chemistry}, volume = {16}, year = {2020}, month = {JAN}, pages = {996-1003}, type = {Article}, abstract = {

Background: This research project is designed to identify the anti-diabetic effects of the newly synthesized compounds to conclude the perspective of consuming one or more of these new synthetic compounds for diabetes management. Introduction: A series of dihydropyrimidine (DHPM) derivative bearing electron releasing and electron-withdrawing substituent{\textquoteright}s on phenyl ring (a-j) were synthesized and screened for antihyperglycemic(anti-diabetic) activity on streptozotocin (STZ) induced diabetic rat model. The newly synthesized compounds were characterized by using FT-IR, melting point, H-1 and C-13 NMR analysis. The crystal structure and supramolecular features were analyzed through single-crystal X-ray study. Anti-diabetic activity testing of newly prepared DHPM scaffolds was mainly based on their relative substituent on the phenyl ring along with urea and thiourea. Among the synthesized DHPM scaffold, the test compound c having chlorine group on phenyl ring at the ortho position to the hydropyrimidine ring with urea and methyl acetoacetate derivative shows moderate lowering of glucose level. However, the title compounds methyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimi dine-5-carboxylate(g) and ethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydroprimidine- 5-carboxylate(h) having methoxy and ethoxy substituents on phenyl ring show significant hypoglycemic activity compared to the remaining compounds from the Scheme 1. Methods: The experimental rat models for the study were divided into 13 groups (n = 10); group 1 animals were treated with 0.5\% CMC (0.5mL) (vehicle); group 2 were considered the streptozotocin (STZ)/nicotinamide diabetic control group (DC) and untreated, group 3 diabetic animals were administered with gliclazide 50 mg/kg and act as a reference drug group. The remaining groups of the diabetic animals were administered with the newly synthesized dihydropyrimidine compounds in a single dose of 50 mg/kg orally using the oral gavage, daily for 7 days continuously. The blood glucose level was measured before and 72 hrs after nicotinamide-STZ injection, for confirmation of hyperglycemia and type 2 diabetes development. Results: Blood glucose levels were significantly (p\<0.05) reduced after treatment with these derivatives. The mean percentage reduction for gliclazide was 50\%, while that of synthesized compounds were approximately 36\%. Conclusion: Our result suggests that the synthesized new DEEM derivative containing alkoxy group on the phenyl ring shows a significant lowering of glucose level compared to other derivatives.

}, keywords = {anti-Diabetic, blood glucose levels, dihydropyrimidine, hypoglycemic activity, Streptozotocin, type 2 diabetes mellitus}, issn = {1573-4064}, doi = {10.2174/1573406416666191227123048}, author = {Bairagi, Keshab M. and Younis, Nancy S. and Emeka, Promise M. and Sangtani, Ekta and Gonnade, Rajesh G. and Venugopala, Katharigatta N. and Alwassil, I. Osama and Khalil, Hany E. and Nayak, Susanta K.} } @article {46902, title = {Antimicrobial profiling of coral reef and sponge associated bacteria from southeast coast of India}, volume = {141}, year = {2020}, month = {APR}, pages = {103972}, type = {Article}, abstract = {

Culturable bacteria associated with marine sponges and coral mucus (collected from Gulf of Mannar and Palk Bay) were screened for their prospective antimicrobial compounds against 9 bacterial pathogens (Bacillus megaterium, B. cereus, Salmonella typhimurium, Staphylococcus aureus, Proteus vulgaris, Klebsillla pneumoniae, Escherichia coli, Pseudomonas aeruginosa and Acinetobacter baumannii) and a fungal pathogen (Candida albicans). Of the 263 bacterial isolates obtained during this study, 52 isolates displayed antimicrobial activity against one or more pathogens. 16S rRNA gene sequencing revealed that these 52 strains affiliated to 14 genera from three phyla Proteobacteria, Firmicutes and Actinobacteria. Sponge associated bacterial strains F-04, 1-23, 1-33 and G-03 inhibited the growth of all the bacterial pathogens tested in this study and significantly the former 2 strains inhibited the growth of fungal pathogen also. Majority of the potential strains (88.4\% out of 52 strains) inhibited the growth of Bacillus cereus. Interestingly, an actinomycete strain F-04 (isolated from sponge Orina sagittaria) inhibited the growth of methicillin resistant Staphylococcus aureus. In total, 10 volatile organic compounds were determined from the ethyl acetate and hexane extract of the strain F-04 using GC-MS. Overall, marine bacteria isolated during this study demonstrate the potential for the development of broad spectrum antibiotics.

}, keywords = {Anti-MRSA, Antimicrobial activity, Bacterial diversity, Coral reef, Sponge}, issn = {0882-4010}, doi = {10.1016/j.micpath.2020.103972}, author = {Rajasabapathy, Raju and Ghadi, Sanjeev C. and Manikandan, Balakrishnan and Mohandass, Chellandi and Surendran, Akhila and Dastager, Syed G. and Meena, Ram M. and James, Rathinam Arthur} } @article {46628, title = {Apparent umpolung reactivity of indole through [Au]-catalysed cyclisation and lewis-acid-mediated allylation}, journal = {Chemistry-A European Journal}, volume = {26}, year = {2020}, month = {DEC}, pages = {17171-17175}, type = {Article}, abstract = {

The sequential functionalization of indole C2 and C3 in an umpolung fashion was executed with a predesigned substrate and choice of reagents. The developed method comprises gold-catalysed alkynol cycloisomerisation/intramolecular addition of C2 of indole and subsequent BF3.OEt2-mediated regioselective C3 allylation, resulting in the synthesis of the functionalized indoloisoquinolinone scaffold. The reaction involves 5-endo-alkynol cycloisomerisation and the dearomative addition of indole C2 to the intermediate oxocarbenium cation, which results in two equilibrating fused and spiropentacyclic intermediates, which upon treatment with allyl silane in the presence of BF3.OEt2, undergo selective indole C3 allylation. Other nucleophiles, such as hydride, azide and indole, were also found to be compatible with this process.

}, keywords = {Allylation, cyclization, domino reactions, Gold, umpolung}, issn = {0947-6539}, doi = {10.1002/chem.202003441, Early Access Date = NOV 2020}, author = {Shinde, Mahesh H. and Ramana, Chepuri V.} } @article {46625, title = {Approach to nigericin derivatives and their therapeutic potential}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {NOV }, pages = {43085-43091}, type = {Article}, abstract = {

A new nigericin analogue that has been chemically modified was synthesized through a fluorination process from the parent nigericin, produced from a novel Streptomyces strain DASNCL-29. Fermentation strategies were designed for the optimised production of nigericin molecule and subjected for purification and structural analysis. The fermentation process resulted in the highest yield of nigericin (33\% (w/w)). Initially, nigericin produced from the strain DASNCL-29 demonstrated polymorphism in its crystal structure, i.e., monoclinic and orthorhombic crystal lattices when crystallised with methanol and hexane, respectively. Furthermore, nigericin produced has been subjected to chemical modification by fluorination to enhance its efficacy. Two fluorinated analogues revealed that they possess a very potent antibacterial activity against Gram positive and Gram negative bacteria. To date, the nigericin molecule has not been reported for any reaction against Gram-negative bacteria, which are increasingly becoming resistant to antibiotics. For the first time, fluorinated analogues of nigericin have shown promising activity. In vitro cytotoxicity analysis of fluorinated analogues demonstrated tenfold lesser toxicity than the parent nigericin. This is the first type of study where the fluorinated analogues of nigericin showed very encouraging activity against Gram-negative organisms; moreover, they can be used as a candidate for treating many serious infections.

}, doi = {10.1039/d0ra05137c}, author = {Sahu, Amit Kumar and Said, Madhukar S. and Hingamire, Tejashri and Gaur, Megha and Khan, Abujunaid and Shanmugam, Dhanasekaran and Barvkar, Vitthal T. and Dharne, Mahesh S. and Bharde, Atul A. and Dastager, Syed G.} } @article {46880, title = {Aromatic amine passivated TiO2 for dye-sensitized solar cells (DSSC) with similar to 9.8\% efficiency}, journal = {Solar Energy}, volume = {201}, year = {2020}, month = {MAY }, pages = {965-971}, type = {Article}, abstract = {

In this work, the efficiency of dye-sensitized solar cells (DSSC) was improved by capping TiO2 with simple aromatic amines as a complexing agent. The aromatic amines, aniline and o-phenylenediamine capped TiO2 composites were synthesized via hydrothermal route and used as scattering layer in dye-sensitized solar cell (DSSC). Markedly, the maximum photo-conversion efficiency of 9.84\% was achieved with o-phenylenediamine capped-TiO2 composite as o-phenylenediamine capped-TiO2 showed higher reflectivity than the pristine TiO2, which is highly beneficial for reflecting the photons back to photoanode. In addition, the average life time of carriers in o-phenylenediamine capped-TiO2 was found to be 9.8 ms, which was 2 times higher than the pristine TiO2 (4.29 ms).

}, keywords = {Aromatic amines, DSSC, Electron injection, lifetime, Scattering layer, TiO2}, issn = {0038-092X}, doi = {10.1016/j.solener.2020.03.077}, author = {Kumar, T. R. Naveen and Yuvaraj, S. and Kavitha, P. and Sudhakar, Vediappan and Krishnamoorthy, Kothandam and Neppolian, B.} } @article {46875, title = {Assessing the impact of deviations in optimized multistep flow synthesis on the scale-up}, journal = {Reaction Chemistry \& Engineering}, volume = {5}, year = {2020}, month = {MAY }, pages = {838-848}, type = {Review}, abstract = {

This manuscript highlights the unavoidable connection between manual and self-optimized flow synthesis protocols for multistep flow synthesis and its scale-up. While briefly summarizing the state of the art in the self-optimization approach, a brief summary of industrially scaled-up processes is also given. We have used as a case study the flow synthesis of ivacaftor that is optimized at the laboratory scale and is subjected to specific deviations deliberately. The resulting effects are captured in terms of their effect on the scale-up approach. The analysis shows that small deviations in performance viz. conversion or selectivity at every reaction step would lead to significant deviation in the process and the overall capital investment. Translating {\textquoteleft}{\textquoteleft}laboratory synthesis{\textquoteright}{\textquoteright} into {\textquoteleft}{\textquoteleft}commercial scale manufacturing{\textquoteright}{\textquoteright} needs careful differentiation between an optimized reaction step and realizing a commercially feasible process. We have also highlighted the role of 3D printing in fabricating prototype and scalable flow systems.

}, issn = {2058-9883}, doi = {10.1039/d0re00025f}, author = {Sharma, M. K. and Raval, J. and Ahn, Gwang-Noh and Kim, Dong-Pyo and Kulkarni, A.} } @article {46728, title = {Bifunctional rice husk-derived SiO2-Cu-Al-Mg nanohybrid catalyst for one-pot conversion of biomass-derived furfural to furfuryl acetate}, journal = {Fuel}, volume = {275}, year = {2020}, month = {SEP }, pages = {117953}, type = {Article}, abstract = {

Developing one-pot reaction methodologies, which typically require multifunctional catalyst systems, is crucial for sustainable production of bio-derived fuels and chemicals. This work reports one-pot hydrogenation-esterification of furfural to furfuryl acetate using a bifunctional metal-based nanohybrid catalyst, composed of rice husk (RH) derived SiO2, Cu, Al, and Mg species (RHSiO2-Cu-Al-Mg). For comparison, the catalytic efficiency of RHSiO2-Cu and RHSiO2-Cu-Al were tested under similar reaction conditions. Various analytical techniques were used to elucidate the physicochemical, textural, and acid-redox properties of the catalysts. It was found that the RHSiO2-Cu-Al-Mg catalyst contains an optimum amount of acid and redox sites, as illustrated by NH3-TPD and H-2-TPR studies, respectively. Especially, Mg addition played a vital role in tailoring acidity of the RHSiO2-Cu-Al catalyst to promote in-situ esterification of furfuryl alcohol with acetic acid to yield furfuryl acetate. As a result, the RHSiO2-Cu-Al-Mg catalyst exhibited the best performance in one-pot conversion of furfural to furfuryl acetate, outperforming various noble metal/silica based catalysts. This study offers potential opportunities for the rational design of novel, bifunctional heterogeneous catalysts for efficient production of bio-derived fuels and value added chemicals.

}, keywords = {Acid-redox sites, Bifunctional catalyst, Bio-oil upgrading, One-pot furfural conversion, Rice husk silica}, issn = {0016-2361}, doi = {10.1016/j.fuel.2020.117953}, author = {Hashim, Luqman H. and Halilu, Ahmed and Sudarsanam, Putla and Umar, Yahaya Balarabe and Bin Johan, Mohd Rafie and Bhargava, Suresh K.} } @article {46704, title = {Bimetallic palladium nickel nanoparticles anchored on carbon as high-performance electrocatalysts for oxygen reduction and formic acid oxidation reactions}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {SEP }, pages = {9285-9295}, type = {Article}, abstract = {

{Herein, we report the synthesis of carbon-supported palladium-nickel electrocatalysts (ECs) (Pd4-xNix/C ECs

}, keywords = {electrocatalysts, Formic Acid Oxidation, fuel cells, oxygen reduction reaction, palladium-nickel alloy}, issn = {2574-0962}, doi = {10.1021/acsaem.0c01622}, author = {Goswami, Chiranjita and Saikia, Himadri and Tada, Kohei and Tanaka, Shingo and Sudarsanam, Putla and Bhargava, Suresh K. and Bharali, Pankaj} } @article {46742, title = {Biosensors: frontiers in rapid detection of COVID-19}, journal = {3 Biotech}, volume = {10}, year = {2020}, month = {AUG}, pages = {385}, type = {Review}, abstract = {

The rapid community-spread of novel human coronavirus 2019 (nCOVID19 or SARS-Cov2) and morbidity statistics has put forth an unprecedented urge for rapid diagnostics for quick and sensitive detection followed by contact tracing and containment strategies, especially when no vaccine or therapeutics are known. Currently, quantitative real-time polymerase chain reaction (qRT-PCR) is being used widely to detect COVID-19 from various types of biological specimens, which is time-consuming, labor-intensive and may not be rapidly deployable in remote or resource-limited settings. This might lead to hindrance in acquiring realistic data of infectivity and community spread of SARS-CoV-2 in the population. This review summarizes the existing status of current diagnostic methods, their possible limitations, and the advantages of biosensor-based diagnostics over the conventional ones for the detection of SARS-Cov-2. Novel biosensors used to detect RNA-viruses include CRISPR-Cas9 based paper strip, nucleic-acid based, aptamer-based, antigen-Au/Ag nanoparticles-based electrochemical biosensor, optical biosensor, and Surface Plasmon Resonance. These could be effective tools for rapid, authentic, portable, and more promising diagnosis in the current pandemic that has affected the world economies and humanity. Present challenges and future perspectives of developing robust biosensors devices for rapid, scalable, and sensitive detection and management of COVID-19 are presented in light of the test-test-test theme of the World Health Organization (WHO).

}, keywords = {Biosensors, COVID-19, Rapid detection, SARS-CoV-2}, issn = {2190-572X}, doi = {10.1007/s13205-020-02369-0}, author = {Samson, Rachel and Navale, Govinda R. and Dharne, Mahesh S.} } @article {46825, title = {Bio-surfactant: a green and environmentally benign reaction medium for ligand-free Pd-catalyzed Mizoroki-Heck cross-coupling reaction in water}, journal = {Transition Metal Chemistry}, volume = {45}, year = {2020}, month = {SEP}, pages = {403-411}, type = {Article}, abstract = {

A simple and efficient protocol for the ligand-free Mizoroki-Heck coupling reaction of various aryl bromides with different olefins has been reported by using in situ generated PdNPs of size 5-10 nm in aqueous solution of bio-surfactant. The bio-surfactant used in this study is a saponin extract of the seeds of pericarps (pods) of theAcacia concinnaplant. The in situ generated PdNPs have been characterized by various techniques such as HRTEM, EDS and XPS. The influence of various parameters such as the nature and amount of bases, the nature of Pd precatalysts as well as the effect of temperature has been investigated on Mizoroki-Heck coupling reaction. The generated PdNPs significantly coupled the various aryl bromides with different olefins in aqueous extract of the seeds of pericarps (pods) of theAcacia concinnaplant at 100 degrees C. [GRAPHICS] .

}, issn = {0340-4285}, doi = {10.1007/s11243-020-00392-x, Early Access Date = JUN 2020}, author = {Patil, Seema P. and Jadhav, Sanjay N. and Rode, Chandrashekhar V. and Shejwal, Rajendra V. and Kumbhar, Arjun S.} } @article {46724, title = {Biosynthesis and tissue-specific partitioning of camphor and eugenol in Ocimum kilimandscharicum}, journal = {Phytochemistry}, volume = {177}, year = {2020}, month = {SEP}, pages = {112451}, type = {Article}, abstract = {

In Ocimum kilimandscharicum, the relative volatile composition of camphor in leaves was as high as 55\%, while that of eugenol in roots was 57\%. These metabolites were differentially partitioned between the aerial and root tissues. Global metabolomics revealed tissue-specific biochemical specialization, evident by the differential distribution of 2588 putative metabolites across nine tissues. Next-generation sequencing analysis indicated differential expression of 51 phenylpropanoid and 55 terpenoid pathway genes in aerial and root tissues. By integrating metabolomics with transcriptomics, the camphor biosynthesis pathway in O. kilimandscharicum was elucidated. In planta bioassays revealed the role of geranyl diphosphate synthase (gpps) and borneol dehydrogenase (bdh) in camphor biosynthesis. Further, the partitioning of camphor was attributed to tissue-specific gene expression of both the pathway entry point (gpps) and terminal (bdh) enzyme. Unlike camphor, eugenol accumulated more in roots; however, absence of the eugenol synthase gene in roots indicated long distance transport from aerial tissues. In silico co-expression analysis indicated the potential involvement of ATP-binding cassette, multidrug and toxic compound extrusion, and sugar transporters in eugenol transport. Similar partitioning was evident across five other Ocimum species. Overall, our work indicates that metabolite partitioning maybe a finely regulated process, which may have implications on plant growth, development, and defense.

}, keywords = {Borneol dehydrogenase, Camphor, Eugenol, Geranyl diphosphate synthase, Lamiaceae, Metabolite partitioning, Metabolomics, Ocimum kilimandscharicum, Transcriptomics}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2020.112451}, author = {Singh, Priyanka and Kalunke, Raviraj M. and Shukla, Anurag and Tzfadia, Oren and Thulasiram, V. Hirekodathakallu and Giri, Ashok P.} } @article {46624, title = {Blends of neem oil based polyesteramide as nanofiber mats to control Culicidae}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {NOV }, pages = {42827-42837}, type = {Article}, abstract = {

Mosquitoes act as vectors for several disease-causing microorganisms and pose a threat to mankind by transmitting various diseases. There are different conventional methods to repel or kill these mosquitoes for avoiding susceptibility against infections. However, to overcome the difficulties with conventional methods, new advanced materials are being studied. For the first time, we report developing a nanofiber mat with a controlled release of insecticide to repel or detain the mosquitoes. Briefly, various blend compositions were prepared by manipulating the ratio of neem oil-based polyesteramide (PEA) and polycaprolactone (PCL) immobilized with insecticide, transfluthrin (Tf). The blend solutions were electrospun to get non-woven nanofiber mats, and these nanomaterials were characterized by various spectroscopic techniques to understand their physicochemical properties. The surface morphology was analyzed using environmental scanning electron microscopy (E-SEM), and the diameter of the nanofibers was in the range of 200 to 450 nm. Further, thermal and mechanical properties were evaluated to understand the stability of nanofiber mats. In vitro drug release studies of nanofiber mat PPT-1335 showed controlled and sustained release of Tf, with similar to 35\% of Tf released in 24 h. However, a film of the same composition (PPT-1335) showed similar to 5\% of Tf release within 24 h. Moreover, in vivo bio-efficacy studies suggested the mortality of mosquitoes was about 50\% with PP-133, which was further increased to 100\% within 12 h in the presence of Tf (PPT-1335). However, 60\% mortality of mosquitoes was observed with the film of PPT-1335. Hence, the nanofiber mat showed better efficacy against mosquitoes as compared to the film of the same composition. The degradation studies under various conditions revealed biocompatibility of the developed nanofiber mats with the ecosystem.

}, doi = {10.1039/d0ra08297j}, author = {Konchada, Sravanya and Killi, Naresh and Sayyad, Shahebaz and Gathalkar, Ganesh B. and Gundloori, Rathna V. N.} } @article {46753, title = {Carbon allotropes: metal-complex chemistry, properties and applications}, journal = {MRS Bulletin}, volume = {45}, year = {2020}, month = {AUG}, pages = {678}, type = {Book Review}, issn = {0883-7694}, author = {Sharma, Geeta} } @article {45546, title = {Carbon quantum dots functionalized agarose gel matrix for in solution detection of nonylphenol}, journal = {Environmental Technology}, volume = {41}, year = {2020}, month = {JAN}, pages = {322-328}, type = {Article}, abstract = {

Nonylphenol, an endocrine disrupter, is widely released to the aquatic environment, which is accumulative and extremely toxic to aquatic organisms. Here, we report a simple and cost-effective large-scale green synthesis of water-soluble highly fluorescent carbon quantum dots (CQDs) from marine biowaste (offshore washed algae) which gets quenched strongly in the presence of nonylphenol. These CQDs were around 20-40 nm in size and exhibit fluorescence constantly at 360 nm. The XRD profile depicted the interlayer spacing in the particle as 0.284 nm with a humped peak around 14 degrees showing the amorphous nature of the CQDs. FTIR spectra showed the stretching vibration of the hydroxyl groups (OH), asymmetric and symmetric stretching vibrations of the carboxylate anions (COO-). The fluorescence quantum yield of the CQDs is up to 68\% and nonyl phenol detection limit is less than 0.1 {\textmu}M. Furthermore, the CQDs were found to be stable at a wide pH range which makes it a suitable nonylphenol sensor for a variety of environmental samples. We functionalized these CQDs on an agarose gel matrix to develop a convenient sensor for the rapid detection of nonylphenol.

}, keywords = {Carbon quantum dots, endocrine disrupter, marine algae, nonylphenol, pollutant}, issn = {0959-3330}, doi = {10.1080/09593330.2018.1498133}, author = {Singh, S. and Nigam, P. and Pednekar, A. and Mukherjee, S. and Mishra, A.} } @article {47148, title = {Carbon supported size-controlled ru catalysts for selective levulinic acid hydrogenation into γ-valerolactone}, journal = {Journal of Siberian Federal University-Chemistry}, volume = {13}, year = {2020}, month = {JAN}, pages = {5-16}, type = {Article}, abstract = {

Liquid phase levulinic acid hydrogenation into γ-valerolactone in 1,4-dioxane as a solvent (165{\textdegree}C, 20 bar) was studied over a range of Ru monometallic catalysts using mesoporous carbon material Sibunit as a support. In addition to the catalyst prepared by impregnation with RuCl3.nH2O (0.1 M) followed by reduction in H2, size-controlled Ru(NPs)/Sibunit catalysts were synthesized by immobilization of polyvinylpyrrolidone (PVP) stabilized Ru nanoparticles (NPs) (dRu=2.4 nm). Сarbon supported colloidal Ru NPs were not studied earlier in levulinic acid hydrogenation. Activity of colloidal Ru(NPs)/Sibunit catalysts was found to be lower than that of impregnated Ru/Sibunit which could be attributed to hampering effect of PVP. However, colloidal Ru(NPs)/Sibunit purified by thermal treatment in air (180{\textdegree}C) followed by reduction in H2 (400{\textdegree}C) exhibited the same activity as impregnated one yielding 93\% γ-valerolactone at 100\% levulinic acid conversion. Applicability of supported PVP-assisted colloidal Ru NPs in hydrogenation of levulinic acid illustrates a potential to prepare more efficient catalysts for this reaction with a desired particle size. The catalysts were characterized by TEM, XRF, and N2 physisorption to compare their physical chemical properties.

}, doi = {10.17516/1998-2836-0166}, author = {Simakova, Irina L. and Demidova, Yuliya S. and Simonov, Mikhail N. and Niphadkar, Prashant S. and Bokade, Vijay V. and Devi, Nandini and Dhepe, Paresh L. and Murzin, Dmitry Yu} } @article {46952, title = {Catalyst-free regioselective [3+2] cycloadditions of alpha,beta-unsaturated N-arylnitrones with alkenes to access functionalized isoxazolidines: a DFT study}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {MAR}, pages = {899-903}, type = {Article}, abstract = {

The catalyst-free regioselective [3+2]-cycloaddition of alpha,beta-unsaturated N-arylnitrones with alkenes are developed. The series of synthetically important functionalized isoxazolidines are prepared in good to excellent yields by step economic pathway under ligand and transition-metal-free conditions. The regioselective cycloaddition pathway supported by control experiment and computational study.

}, keywords = {DFT study, isoxazolidines, metal and ligand free, nitrone cycloaddition, Regioselective}, issn = {1861-4728}, doi = {10.1002/asia.201901754, Early Access Date = FEB 2020}, author = {Ghosh, Arnab and Mane, Manoj V. and Rode, Haridas B. and Patil, Siddappa A. and Sridhar, Balasubramanian and Dateer, Ramesh B.} } @article {46611, title = {Catalytic biomass valorization - status and perspectives}, journal = {Biomass Conversion and Biorefinery}, volume = {10}, year = {2020}, month = {DEC}, pages = {793}, type = {Editorial Material}, issn = {2190-6815}, doi = {10.1007/s13399-020-01067-4}, author = {Sudarsanam, Putla} } @article {47333, title = {Catalytic hydrogenation of cinnamic acid and salicylic acid}, journal = {Asian Journal of Chemistry}, volume = {32}, year = {2020}, month = {JAN}, pages = {339-341}, type = {Article}, abstract = {

Hydrogenation of cinnamic acid and salicylic acid was carried out using 5 \%Ru/C, 5 \% Pd/C and Ru-Sn/Al2O3 catalyst at 493 K and 6.89 MPa of hydrogen partial pressure. Ru-Sn/Al2O3 catalyst was found to be active for hydrogenation -COOH group to give cinnamyl alcohol. The selectivity to cinnamyl alcohol was low (15 \%) as absolute inhibition of C=C bond hydrogenation in cinnamic acid is challenging. 5 \%Pd/C catalyst was found to hydrogenate C=C bond and aromatic ring in cinnamic acid. 5 \%Ru/C catalyst was found to be least selective catalyst as it hydrogenated C=C bond, aromatic ring and -COOH group in cinnamic acid. Hydrogenation of salicylic acid is not possible at 493 K as decarboxylation of salicylic acid occurs.

}, doi = {10.14233/ajchem.2020.22393}, author = {Shinde, Sunil and Deshpande, Raj M.} } @inbook {47833, title = {Chapter 18 - Advances in agrochemical remediation using nanoparticles}, booktitle = {Agrochemicals Detection, Treatment and Remediation}, year = {2020}, pages = {465-485}, publisher = {Butterworth-Heinemann}, organization = {Butterworth-Heinemann}, abstract = {Agrochemical pollution is a serious threat to environmental safety. Exposure to agrochemicals had deleterious health effects such as nervous system damage and cancer. Biological magnification of persistent agrochemicals also occurred. Hence, remediation approaches for agrochemical pollution must be a holistic approach, including environment and crop produces. The advent of nanotechnology helped to formulate highly efficient methods for the remediation of agrochemicals. High reactive surface area and very small packing space requirements made usage of nanoparticles as a popular agent in agrochemical remediation. Growing interests in surface-engineered nanoparticles promise complete removal of agrochemicals from the environment. Nanosorbents immobilized agrochemicals in the soil and helped microbial degradation of these compounds. However, many of the agrochemicals are persistent, and hence complete removal of these residues practice via photocatalysis. Photocatalytic degradation of persistent agrochemicals using bimetallic nanocomposites widely adopted. Large-scale environmental remediation of agrochemicals in soil, water, and agriculture products achieved via nanoparticles-based agrochemical cleaning systems such as thin-film fixed-bed reactors and nano-phytoremediation.}, keywords = {agrochemical cleaning systems, nanosorbents, Pesticides, Photocatalysis, surface engineering}, isbn = {978-0-08-103017-2}, doi = {10.1016/B978-0-08-103017-2.00018-0}, url = {https://www.sciencedirect.com/science/article/pii/B9780081030172000180}, author = {Abin Sebastian and Ashwini Nangia and Majeti Narasimha Vara Prasad}, editor = {Majeti Narasimha Vara Prasad} } @inbook {47779, title = {Chapter 9 - CRISPR-Cas9 for therapy: the challenges and ways to overcome them}, booktitle = {Genome Engineering via CRISPR-Cas9 System}, year = {2020}, pages = {101-110}, publisher = {Academic Press}, organization = {Academic Press}, abstract = {Clustered regularly interspaced short palindromic repeat/CRISPR-associated (CRISPR Cas) is a component of the prokaryotic adaptive immune system which has been repurposed for genome editing in recent years. The precision, simplicity and flexibility of this system have opened up a broad range of biological applications covering basic research to biotechnology and medicine. Additionally, the multiplexing capabilities of CRISPR offers a promising approach for modeling or correcting common polygenic disorders along with its monogenic and infectious counterparts. Although CRISPR is not completely precise and questions remain regarding its specificity and modes of delivery, the robustness and wide applicability of this genome editing tool has opened up numerous ways to address these issues. In this chapter, we will discuss about initial progress toward CRISPR therapeutics, existing delivery modalities, the challenges before CRISPR editing before it becomes a therapeutic possibility and the ongoing efforts toward developing a perfect CRISPR system for bench to bedside application.}, keywords = {CRISPR therapeutics, CRISPR-Cas9, iPSC}, isbn = {978-0-12-818140-9}, doi = {10.1016/B978-0-12-818140-9.00009-X}, url = {https://www.sciencedirect.com/science/article/pii/B978012818140900009X}, author = {Sundaram Acharya and Souvik Maiti and Debojyoti Chakraborty}, editor = {Vijai Singh and Pawan K. Dhar} } @article {46844, title = {Characterisation of hyper tolerant Bacillus firmus L-148 for arsenic oxidation}, journal = {Environmental Pollution}, volume = {261}, year = {2020}, month = {JUN}, pages = {114124}, type = {Article}, abstract = {

Groundwater arsenic pollution causes millions of deaths worldwide. Long term natural and anthropogenic activities have increased arsenic levels in groundwater causing higher threats of arsenic exposure. Arsenic hyper-tolerant Firmicute Bacillus firmus L-148 was isolated from arsenic limiting Lonar lake soil, which tolerated more than 3 M arsenic and could oxidize 75 mM arsenite [As(III)] in 14 days. It oxidized As(III) in presence of heavy metals and had unusual pH optima at 9.2. B. firmus L-148 was studied at the biochemical, protein, genomic and transcript level for understanding its arsenic oxidizing machinery. The proteomic and transcript analysis exhibited the presence of ars and aio operon and supported the inducible nature of ars operon. Robust, hyper-tolerant, fast As(III) oxidizing, least nutrient requiring and multi-metal resistance qualities of the strain were used in microcosm studies for bioremediation. Artificial groundwater mimicking microcosm with 75 mM As(III) was developed. Modulation of carbon source, iron and multi metals affected growth and As(III) oxidation rate. The As(III) oxidation was recorded to be 77\% in 15 days in presence of sodium acetate and Fe ions. This microcosm study can be explored for bioremediation of arsenic contaminated water and followed by precipitation using other methods. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {Arsenic hyper-tolerance, Lonar lake, Microcosm studies, Multi-metal resistance, Next generation sequencing}, issn = {0269-7491}, doi = {10.1016/j.envpol.2020.114124}, author = {Bagade, Aditi and Nandre, Vinod and Paul, Dhiraj and Patil, Yugendra and Sharma, Nisha and Giri, Ashok and Kodam, Kisan} } @article {47151, title = {Co-gasification of high ash coal{\textendash}biomass blends in a fluidized bed gasifier: }, journal = {Waste and Biomass Valorization }, volume = {11}, year = {2020}, month = {JAN}, pages = {323{\textendash}341}, type = {Article}, abstract = {

Co-gasification (COG) is a clean-coal technology that uses a binary blend of coal and biomass for generating the\ product gas; it is environment-friendly since it emits lesser quantities of pollutants compared to the coal gasification process. Although coals found in many countries contain high percentages of ash, co-gasification studies involving such coals, and the process modeling thereof, are rare. Accordingly, this study presents results of the co-gasification experiments conducted in a fluidized-bed gasifier (FBG) pilot plant using as a feed the blends of high ash Indian coals with three biomasses, namely, rice husk, press mud, and sawdust. Since the underlying physicochemical phenomena are complex and nonlinear, modeling of the COG process has been performed using three\ computational intelligence (CI)-based methods namely, genetic programming, artificial neural networks, and support vector regression. Each of these formalisms was employed separately to develop models predicting four COG performance variables, namely, total gas yield, carbon conversion efficiency, heating value of product gas, and cold gas efficiency. All the CI-based models exhibit an excellent prediction accuracy and generalization performance. The co-gasification experiments and their modeling presented here for a pilot-plant FBG can be gainfully utilized in the efficient design and operation of the corresponding commercial scale co-gasifiers utilizing high ash coals.

}, author = {Tiwary, Shishir and Ghugare, Suhas B. and Chavan, Prakash D. and Saha, Sujan and Datta, Sudipta and Sahu, Gajanan and Tambe, Sanjeev S.} } @article {46979, title = {Comparative proteomics unravels the differences in salt stress response of own-rooted and 110R-grafted thompson seedless grapevines}, journal = {Journal of Proteome Research}, volume = {19}, year = {2020}, month = {FEB}, pages = {583-599}, type = {Article}, abstract = {

Thompson Seedless, a commonly grown table grape variety, is sensitive to salinity when grown on its own roots, and therefore, it is frequently grafted onto salinity-tolerant wild grapevine rootstocks. Rising soil salinity is a growing concern in irrigated agricultural systems. The accumulation of salts near the root zone severely hampers plant growth, leading to a decrease in the productive lifespan of grapevine and causing heavy yield losses to the farmer. In the present study, we investigated the differences in response to salinity between own-rooted Thompson Seedless (TSOR) and 110R-grafted Thompson Seedless (TS110R) grapevines, wherein 110R is reported to be a salt-tolerant rootstock. The grapevines were subjected to salt stress by treating them with a 150 mM NaCl solution. The stress-induced changes in protein abundance were investigated using a label-free shotgun proteomics approach at three time points viz. 6 h, 48 h, and 7 days of salt treatment. A total of 2793 proteins were identified, of which 246 were differentially abundant at various time-points in TSOR and TS110R vines. The abundance of proteins involved in several biological processes such as photosynthesis, amino acid metabolism, translation, chlorophyll biosynthesis, and generation of precursor metabolites was significantly affected by salt stress in both the vines but at different stages of stress. The results revealed that TSOR vines responded fervently to salt stress, while TS110R vines adopted a preventive approach. The findings of this study add to the knowledge of salinity response in woody and grafted plants and hence open the scope for further studies on salt stress-specific differences induced by grafting.

}, keywords = {110R rootstock, gene ontology, grafting, label-free proteomics, salt stress, Vitis vinifera}, issn = {1535-3893}, doi = {10.1021/acs.jproteome.9b00420}, author = {Patil, Sucheta and Shinde, Manisha and Prashant, Ramya and Kadoo, Narendra and Upadhyay, Anuradha and Gupta, Vidya} } @article {46941, title = {Concise enantioselective synthesis of (R)-(+)-goniothalamin oxide, a trypanocidal active agent via L-prolinol catalyzed asymmetric epoxidation of cinnamaldehyde}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {59}, year = {2020}, month = {MAR}, pages = {393-398}, type = {Article}, abstract = {

A short and straight-forward enantioselective synthesis of (R)-(+)-goniothalamin oxide 2 has been achieved with an overall yield of 39\% and 99\% ee. The synthetic approach involves L-prolinol catalyzed asymmetric epoxidation of cinnamaldehyde followed by Lewis acid-mediated diastereoselective allylation of epoxy aldehyde as the key chiral-inducing steps.

}, keywords = {Allylation, asymmetric epoxidation, Esterification, Grubbs{\textquoteright} catalyst, L-prolinol catalyst, Ring closing metathesis}, issn = {0376-4699}, author = {Kumar, B. Senthil and Mandle, Ram D. and Kamble, Sanjay P. and Sudalai, Arumugam} } @article {46872, title = {Controlled synthesis of two-dimensional (2-D) ultra-thin bismuth selenide (Bi2Se3) nanosheets by bottom-up solution-phase chemistry and its electrical transport properties for thermoelectric application}, journal = {FlatChem}, volume = {21}, year = {2020}, month = {MAY}, pages = {100165}, type = {Article}, abstract = {

Bismuth Selenide and associated compounds inheriting stacked layered structure represent a unique class of materials where bulks are insulating with conducting surfaces, best known as thermoelectric materials. The bottom-up solution-based approach is a convenient alternative producing ultrathin high quality two-dimensional Bi2Se3 nanosheets. The present investigation deals with glycol mediated synthesis of highly crystalline ultrathin Bi2Se3 nanosheets. The as-synthesized Bi2Se3 nanosheets exhibit a rhombohedral crystal structure with a substantial surface-to-volume ratio that can possess several potential applications. Besides, the ultrathin Bi2Se3 nanosheets produced herein, found to be n-type with robust spatial confinement of charge carriers advantageous for thermoelectric applications, delivering a high-power factor of 1.55 mu W/cmK(2) at 150 degrees C. The method demonstrates the generic feature of the solution phase technique for the synthesis of highly crystalline nanosheets allowing mass production of identical ultra-thin nanosheets that can be easily integrated into devices for several promising applications, including spintronics, energy storage, and topological quantum computation.

}, keywords = {Rhombohedral structure, Sheet-like structure, Thermoelectric nanomaterials, transmission electron microscopy, XPS Spectra}, issn = {2452-2627}, doi = {10.1016/j.flatc.2020.100165}, author = {Bin Masood, Khalid and Kumar, Pushpendra and Giri, Rajiv and Singh, Jai} } @article {46953, title = {Controlling and stabilization of Ru nanoparticles by tuning the nitrogen content of the support for enhanced H-2 production through aqueous-phase reforming of glycerol}, journal = {ACS Catalysis}, volume = {10}, year = {2020}, month = {FEB}, pages = {2489-2507}, type = {Article}, abstract = {

The stable activity of catalysts is an important issue in catalysis, particularly aqueous-phase reforming (APR) of renewable oxygenates, of biomass origin, to get H-2. Sintering of metal nanoparticles on supports affects catalyst stability. To alleviate this problem, a series of highly stable Ru-supported catalysts with controlled metal nanoparticle sizes have been prepared via the easy incipient wetness impregnation method. These catalysts were used for APR of glycerol to produce H-2. Nitrogen-doped mesoporous carbons (NMCs) were utlized as supports and found to have a strong influence on the catalytic performance of the catalysts. Incorporation of nitrogen in the carbon framework significantly enhanced the catalytic activity compared to Ru catalysts on nitrogen-free supports. Notably, the catalyst (5 wt \% Ru-NMC-3) with optimal N content (10.9 wt \%) demonstrated improved stability and H-2 selectivity, which are better than those of many state-of-the-art catalysts. Nitrogen in the carbon framework has a dual relationship with the activity of the catalyst: (i) it creates basic environment over the catalysts support and (ii) it acts as an anchoring site for metal nanoparticles. Anchoring of metal nanoparticles has helped to curb their sintering, thus leading to better stability of the catalysts under APR reaction conditions. Various characterization techniques were employed to understand the nature of active catalytic sites responsible for higher H-2 production while minimizing CO formation. In situ CO-FTIR studies showed that the higher catalytic activity of 5 wt \% Ru-NMC-3 catalyst was attributed to the enhanced WGS activity over this catalyst. Density functional theory calculations were performed to understand the stabilization of metal nanoparticles by different types of N present on the support and provide insights into the prefered sites of glycerol adsorption on the NMC support. Since S wt \% Ru-NMC-3 was the relatively best catalyst, it was selected for the preparation of bimetallic catalysts. Accordingly, addition of Pt to this system helped to increase the stability of the catalyst. This bimetallic catalyst may, therefore, find application for wide use in APR of biomass oxygenates.

}, keywords = {aqueous-phase reforming, Glycerol, H-2 production, Ru/NMC catalyst, synergistic effect}, issn = {2155-5435}, doi = {10.1021/acscatal.9b04063}, author = {Gogoi, Pranjal and Kanna, Narsimharao and Begum, Pakiza and Deka, Ramesh C. and Satyanarayana, C. V. V. and Raja, Thirumalaiswamy} } @article {46662, title = {Cooperative acid-base sites of solid Ba-Zr mixed oxide catalyst for efficient isomerization of glucose to fructose in aqueous medium}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {OCT}, pages = {12505-12513}, type = {Article}, abstract = {

Efficient and highly selective isomerization of glucose to fructose was achieved by using the inexpensive Ba-Zr mixed metal oxide catalyst. Catalyst was prepared by varying Ba-Zr ratios using co-precipitation method. Various phases formed, planes exposed, morphology, elemental composition and particle size, basic site density and strength, oxidation state of elements were well studied by using various characterization techniques. The XRD analysis clearly indicates the presence of Ba+2 and Zr+4 in the form of BaO, ZrO2 and BaZrO3 phases. The SEM and HR-TEM images indicate that, Ba-Zr (2 : 1) catalyst prepared showed uniform morphology with spherical and rod-shaped particles ranging from 300 to 600 nm. Under the optimized reaction conditions Ba-Zr (2 : 1) catalyst exhibited excellent results in terms of 57 \% of glucose conversion with 89 \% selective formation of glucose. The presence of both acidic as well as basic sites play vital roles in activating the substrate molecules to selectively yield fructose. Ba-Zr (2 : 1) catalyst showed excellent recyclability performance up to four recycles.

}, keywords = {Co-precipitation, fructose, glucose, isomerization, mixed metal oxide}, issn = {2365-6549}, doi = {10.1002/slct.202003071}, author = {Shaikh, Samrin S. and Patil, Chetana R. and Kondawar, Sharda E. and Rode, Chandrashekhar V.} } @article {46884, title = {Copper-catalyzed direct arylation of indoles and related (hetero)arenes: a ligandless and solvent-free approach}, journal = {Advanced Synthesis \& Catalysis}, volume = {362}, year = {2020}, month = {JUN }, pages = {2534-2540}, type = {Article}, abstract = {

A ligandless and solvent-free copper-catalyzed method for the regioselective C-H bond arylation of indoles and related heteroarenes is reported. The use of CuCl efficiently catalyzes the direct coupling of diverse heteroarenes with aryl iodides via chelation-assistance. This reaction could tolerate sensitive and structurally diverse functionalities, including halides, ethers, thioethers, amines, indolyl, pyrrolyl and carbazolyl groups. The directing group, 2-pyridinyl can be smoothly removed to generate C-2 arylated free-NH indoles, and the arylated indoles can further be functionalized into Tryptamine derivatives. Preliminary mechanistic study revealed a radical pathway for the arylation reaction.

}, keywords = {Arylation, C-H activation, Chelation-assistance, Copper, Indole, Solvent-free}, issn = {1615-4150}, doi = {10.1002/adsc.202000312, Early Access Date = APR 2020}, author = {Pandey, Dilip K. and Shabade, Anand B. and Punji, Benudhar} } @article {46760, title = {Correlation between multifunctional properties of lead free Iron doped BCT perovskite ceramics}, journal = {Ceramics International}, volume = {46}, year = {2020}, month = {AUG }, pages = {17495-17507}, type = {Article}, abstract = {

Present study investigates the effect of Fe doping on structural, microstructural, dielectric, ferroelectric, piezoelectric and magnetic properties of Barium calcium titanate (BCT) ceramics synthesized by solid state reaction route. The polycrystalline tetragonal structure of prepared ceramics was confirmed from XRD study. Analysis done using Rietveld refinement reveals reduction in lattice parameters as well as unit cell volume on substitution of Fe3+ ions in BCT lattice. Occurrence of four distinct Raman bands viz. 297 cm(-1) -302 cm(-1), 473 cm(-1)-475 cm(-1), 516 cm(-1) -524 cm(-1) and 729 cm(-1) -733 cm(-1) in Raman spectroscopic studies confirms the tetragonal phase of prepared ceramic compositions which are in accordance with XRD study. The Scanning Electron Microscopy analysis revealed polyhedral shaped grains whose average grain size decreased with increase in Fe content (x) in BCT ceramics. A diffused frequency independent phase transition was observed in temperature dependent dielectric measurements. Dielectric properties improved significantly, with shifting of transition temperature, T c close to room temperature with Fe doping. These studiessuggest applications of these ceramics in the development of environment friendly dielectric materials meeting X7R MLCCs specifications. The ferroelectric and piezoelectric properties of these ceramic compositions were found to decrease with increase in Fe concentration. Feeble room temperature ferromagnetism was observed for composition x = 0.020.

}, keywords = {BCT, dielectric response, Fe doping, ferroelectric properties, Lead free ceramics, Magnetic measurements}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2020.04.045}, author = {Redhu, Preeti and Punia, Rajesh and Hooda, Ashima and Malik, B. P. and Sharma, Geeta and Sharma, Preeti} } @article {47139, title = {Crystal structure of a 1:1 co-crystal of the anti-cancer drug gefitinib with azelaic acid }, journal = {Acta Crystallographica Section E: Crystallographic Communications}, volume = {76}, year = {2020}, month = {JUN}, pages = {884-888}, type = {Article}, abstract = {

In the title co-crystal, C22H24ClFN4O3{\textperiodcentered}C9H16O4, gefitinib (GTB; systematic name: quinazolin-4-amine) co-crystallizes with azelaic acid (AA; systematic name: nona-nedioic acid). The co-crystal has the monoclinic P21/n centrosymmetric space group, containing one mol-ecule each of GTB and AA in the asymmetric unit. A structure overlay of the GTB mol-ecule in the co-crystal with that of its most stable polymorph revealed a significant difference in the conformation of the morpholine moiety. The significant deviation in the conformation of one of the acidic groups of azelaic acid from its usual linear chain structure could be due to the encapsulation of one acidic group in the pocket formed between the two pincers of GTB namely, the morpholine and phenyl moieties. Both GTB and AA mol-ecules form N-H...O, O-H...N, C-H...O hydrogen bonds with C-H...F close contacts along with off-stacked aromatic π-π inter-actions between the GTB mol-ecules.

}, doi = {10.1107/S2056989020006623 }, author = {George, Christy P. and Sangtani, Ekta and Gonnade, Rajesh G.} } @article {47003, title = {Crystal-to-crystal synthesis of helically ordered polymers of trehalose by topochemical polymerization}, journal = {Angewandte Chemie-International Edition}, volume = {59}, year = {2020}, month = {FEB}, pages = {2897-2903}, type = {Article}, abstract = {

The synthesis of crystalline helical polymers of trehalose via topochemical azide-alkyne cycloaddition (TAAC) of a trehalose-based monomer is presented. An unsymmetrical trehalose derivative having azide and alkyne crystallizes in two different forms having almost similar packing. Upon heating, both the crystals undergo TAAC reaction to form crystalline polymers. Powder X-ray diffraction (PXRD) studies revealed that the monomers in both the crystals polymerize in a crystal-to-crystal fashion; circular dichroism (CD) studies of the product crystals revealed that the formed polymer is helically ordered. This solvent-free, catalyst-free polymerization method that eliminates the tedious purification of the polymeric product exemplifies the advantage of topochemical polymerization reaction over traditional solution-phase polymerization.

}, keywords = {Click reaction, helical polymers, polysaccharide, topochemical reactions, trehalose}, issn = {1433-7851}, doi = {10.1002/anie.201914164, Early Access Date = JAN 2020}, author = {Hema, Kuntrapakam and Gonnade, Rajesh G. and Sureshan, Kana M.} } @article {46876, title = {Cu-Ni bimetal integrated TiO2 thin film for enhanced solar hydrogen generation}, journal = {Solar RRL}, volume = {4}, year = {2020}, month = {MAY}, pages = {1900557}, type = {Article}, abstract = {

A series of non-noble Cu-Ni bimetallic catalysts is prepared with different molar proportions of metals. Of these bimetallic catalysts, 1 wt\% is subsequently integrated with titania P25. The catalysts are evaluated for solar hydrogen generation under 1 sun condition in both the powder and thin film forms. All the photocatalysts in the thin film exhibit an 8-24 times higher hydrogen yield (HY) compared with the corresponding particulate counterpart. The highest HY (41.7 mmol h(-1) g(-1)) is demonstrated for the photocatalyst Cu-Ni/TiO2 (CNT; 1:1 = Cu:Ni) in the thin film form, which is 24 times higher than that with its powder counterpart (1.75 mmol h(-1) g(-1)) and exceeds the performance of other Cu-Ni/TiO2 compositions. This enhanced activity in the thin film can be ascribed to improved absorption of visible light and an effective separation of photogenerated charge carriers at the interface of Cu-Ni/TiO2 leading to better charge carrier utilization.

}, keywords = {bimetals, energy conversion, Hydrogen, Photocatalysis, solar energy}, issn = {2367-198X}, doi = {10.1002/solr.201900557}, author = {Tudu, Bijoy and Nalajala, Naresh and Saikia, Pranjal and Gopinath, Chinnakonda S.} } @article {46679, title = {Cyanosilylation by compounds with main-group elements: an odyssey}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {OCT}, pages = {25477-25484}, type = {Review}, abstract = {

The past few decades have seen remarkable headways in the structural and reaction chemistry of compounds with heavier main-group elements. In recent years, there is an ongoing effort to derive catalytic chemistry involving main-group compounds, driven by their lower costs and higher terrestrial abundances. Here, a survey on the state-of-the-art in the development of cyanosilylation methodology by compounds with heavier main-group elements has been given. Once dominated by transition metals, the field has matured to embrace the majority of the main-group elements including aluminum, silicon, and calcium. Of particular focus will be how the mechanism of cyanosilylation involving compounds with main-group elements differs from those of transition metals.

}, issn = {2470-1343}, doi = {10.1021/acsomega.0c03293}, author = {Pahar, Sanjukta and Kundu, Gargi and Sen, Sakya S.} } @article {47314, title = {Deciphering taxonomic and functional diversity of fungi as potential bioindicators within confluence stretch of Ganges and Yamuna Rivers, impacted by anthropogenic activities}, journal = {Chemosphere}, volume = {252}, year = {2020}, month = {AUG}, type = {Article}, abstract = {

River confluences are interesting ecological niche with limited information in respect of the structure and the functions of diverse microbial communities. Fungi are gaining global attention as promising biological spectacles for defining the trophic status of riverine systems. We condense existing knowledge in confluence diversity in two Indian rivers (i.e. Ganges and Yamuna), by combining sediment metagenomics using long read aided MinION nanopore sequencing. A total of 63 OTU{\textquoteright}s were observed, of which top 20 OTU{\textquoteright}s were considered based on relative abundance of each OTU at a particular location. Fungal genera such as\ Aspergillus, Penicillium,\ Kluveromyces, Lodderomyces,\ and\ Nakaseomyces\ were deciphered as potential bio indicators of river pollution and eutrophication in the confluent zone.\ In silico\ functional gene analysis uncovered hits for neurodegenerative diseases and xenobiotic degradation potential, supporting bioindication of river pollution in wake of anthropogenic intervention.

}, doi = {10.1016/j.chemosphere.2020.126507}, author = {Samson, Rachel and Rajput, Vinay and Shah, Manan and Yadav, Rakeshkumar and Sarode, Priyanka and Dastager, Syed G. and Dharne, Mahesh S. and Khairnar, Krishna} } @article {46733, title = {Development of a smart scaffold for sequential cancer chemotherapy and tissue engineering}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {AUG}, pages = {20724-20733}, type = {Article}, abstract = {

The fabrication of a dual-functional drug-containing porous polymeric scaffold by layer-by-layer surface modification involving citrate-stabilized gold nanoparticles and cisplatin molecules is being reported. These scaffolds were characterized by electron microscopy and X-ray photoelectron spectroscopy. The capability of the scaffolds to release hydrated cisplatin in a slow and sustained manner over two days is established. Most importantly, the scaffolds turn nontoxic and cell-friendly after drug release, thus allowing the noncancerous fibroblast cells to adhere and proliferate (from 5000 cells to 16,000 cells in 6 days), becoming a potential solution toward an effective drug-carrying scaffold for volume-filling applications. The scaffold-mediated cancer cell killing and fibroblast cell proliferation were confirmed by fluorescence microscopy imaging, flow cytometry, and cell proliferation assays. We surmise that such a dual-purpose (drug-delivery and volume-filler) scaffold could help avoid the multiple surgical interventions needed for tumor surgery and cosmetic corrections. To the best of our knowledge, this is the first example of scaffolds with such a dual functionality which gets manifested in a sequential manner.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b03694}, author = {Sengupta, Poulomi and Agrawal, Vinay and Bhagavatula L. V. Prasad} } @article {47009, title = {Development of multiple reaction monitoring assay for quantification of carnosine in human plasma}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JAN }, pages = {763-769}, type = {Article}, abstract = {

Carnosine, a histidine containing dipeptide, exerts beneficial effects by scavenging reactive carbonyl compounds (RCCs) that are implicated in pathogenesis of diabetes. However, the reduced carnosine levels may aggravate the severity of diabetes. The precise quantification of carnosine levels may serve as an indicator of pathophysiological state of diabetes. Therefore, we have developed a highly sensitive targeted multiple reaction monitoring (MRM) method for quantification of carnosine in human plasma samples. Various mass spectrometry parameters such as ionization of precursor, fragment abundance and stability, collision energy, tube lens offset voltage were optimized to develop a sensitive and robust assay. Using the optimized MRM assay, the lower limit of detection (LOD) and limit of quantification (LOQ) for carnosine were found to be 0.4 nM and 1.0 nM respectively. Standard curves were constructed ranging from 1.0 nM to 15.0 mu M and the levels of carnosine in mice and human plasma were determined. Further, the MRM assay was extended to study carnosine hydrolyzing activity of human carnosinases, the serum carnosinase (CN1) and the cytosolic carnosinase (CN2). CN1 showed three folds higher activity than CN2. The MRM assay developed in this study is highly sensitive and can be used for basal plasma carnosine quantification, which can be developed as a novel marker for scavenging of RCCs in diabetes.

}, doi = {10.1039/c9ra08532g}, author = {Pandya, Vaibhav Kumar and Sonwane, Babasaheb and Rathore, Rajeshwari and Unnikrishnan, A. G. and Kumaran, Sangaralingam and Kulkarni, Mahesh J.} } @article {46734, title = {Differential modulation in metabolites revealed with the improvement in the shelf-life of alphonso fruits}, journal = {Molecular Biotechnology}, volume = {62}, year = {2020}, month = {OCT}, pages = {508-520}, type = {Article}, abstract = {

Globally farmers have difficulty in extending the shelf-life of the tropical fruits due to their perishable nature. The present study aimed to assess the effect of hexanal nano-formulation treatment (NFT) on the shelf-life of Alphonso mango. Further, volatilomics was performed to explore the molecular basis of such effect. Untreated and treated fruits were sampled starting from 5th to 21st day after NFT at an interval of 4 days. Moderate changes in visual and digital colour parameters were evident from the intact and dissected fruits of NFT set compared to untreated fruits. Biochemical assays affirmed the phenotypic differences with significant changes in the colour imparting compounds like carotenoids and anthocyanins among them. Further, gas chromatography-mass spectrometry analysis revealed significant qualitative and quantitative variations in the different classes of compounds like lactones, furanones, esters, aldehydes and alcohols. Some of the key metabolites showed differential modulations among the NFT and untreated fruit sets indicating their potential role in various processes, which ultimately might have resulted in delayed ripening of the mango. Overall, this study has demonstrated the beneficial effect of hexanal and identified important metabolites with the enhanced shelf-life in Alphonso that could be useful for farmers and mango-based food/flavour industries.

}, keywords = {Alphonso, GC-MS, Metabolites, Nano-biotechnology, Nano-formulation, Shelf-life, Volatilomics}, issn = {1073-6085}, doi = {10.1007/s12033-020-00267-7, Early Access Date = AUG 2020}, author = {Dar, M. Saleem and Dholakia, Bhushan B. and Shanmugam, Haripriya and Gupta, Vidya S. and Subramanian, K. S. and Subramanian, J. and Giri, Ashok P.} } @article {46814, title = {Differential suitability of reactive oxygen species and the role of glutathione in regulating paradoxical behavior in gliomas: a mathematical perspective}, journal = {PloS One}, volume = {15}, year = {2020}, month = {JUN}, pages = {e0235204}, type = {Article}, abstract = {

Manipulative strategies of ROS in cancer are often exhibited as changes in the redox and thiol ratio of the cells. Cellular responses to oxidative insults are generated in response to these changes which are triggered due to the rerouting of the metabolic framework to maintain survival under stress. However, mechanisms of these metabolic re-routing are not clearly understood and remained debatable. In the present work, we have designed a context-based dynamic metabolic model to establish that the coordinated functioning of glutathione peroxidase (GTHP), glutathione oxidoreductase (GTHO) and NADPH oxidase (NOX) is crucial in determining cancerous transformation, specifically in gliomas. Further, we propose that the puzzling duality of ROS (represented by changes inh(2)o(2)in the present model) in exhibiting varying cellular fates can be determined by considering simultaneous changes innadph/nadp(+)andgsh/gssgthat occur during the reprogramming of metabolic reactions. This will be helpful in determining the pro-apoptotic or anti-apoptotic fate of gliomas and can be useful in designing effective pro-oxidant and/or anti-oxidant therapeutic approaches against gliomas.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0235204}, author = {Bhowmick, Rupa and Sarkar, Ram Rup} } @article {46694, title = {Discovery of 3-(benzofuran-2-ylmethyl)-1H-indole derivatives as potential autophagy inducers in cervical cancer cells}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {30}, year = {2020}, month = {OCT }, pages = {127431}, type = {Article}, abstract = {

In this manuscript we have documented the identification of a novel anticancer scaffold 3-(benzofuran-2-yl-methyl)-1H-indole. This scaffold has been designed by tweaking the known bisindolylmethane scaffold of natural products that display a wide range of biological activities. A series of 24 new conjugates have been synthesized and among them 5 derivatives exhibited IC50 values less than 40 mu M against two cervical cancer cell lines SiHa and C33a. Further mechanistic studies of two compounds 3eb and 3ec revealed that the toxicity of these compounds was due to the effective induction of autophagy mediated cell death. The autophagy induction was confirmed by the progressive conversion of LC3I to LC3II and downregulation of p62 in cervical cancer cells.

}, keywords = {Autophagy, Benzofuran, Bisindolylmethane, Cervical cancer, Friedel-Crafts alkylation}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2020.127431}, author = {Siddiqui, Shaziyaparveen K. and SahayaSheela, Vinodh J. and Kolluru, Srinivas and Pandian, Ganesh N. and Santhoshkumar, Thankayyan R. and Dan, Vipin M. and Ramana, V, Chepuri} } @article {46869, title = {Discovery of potential multi-target-directed ligands by targeting host-specific SARS-CoV-2 structurally conserved main protease}, journal = {Journal of Biomolecular Structure \& Dynamics}, year = {2020}, month = {MAY}, type = {Article; Early Access 2020}, abstract = {

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection has resulted in the current COVID-19 pandemic. Worldwide this disease has infected over 2.5 million individuals with a mortality rate ranging from 5 to 10\%. There are several efforts going on in the drug discovery to control the SARS-CoV-2 viral infection. The main protease (M-Pro) plays a critical role in viral replication and maturation, thus can serve as the primary drug target. To understand the structural evolution of M-Pro, we have performed phylogenetic and Sequence Similarity Network analysis, that depicted divergence of Coronaviridae M-Pro in five clusters specific to viral hosts. This clustering was corroborated with the comparison of M-Pro structures. Furthermore, it has been observed that backbone and binding site conformations are conserved despite variation in some of the residues. These attributes can be exploited to repurpose available viral protease inhibitors against SARS-CoV-2 M-Pro. In agreement with this, we performed screening of similar to 7100 molecules including active ingredients present in the Ayurvedic anti-tussive medicines, anti-viral phytochemicals and synthetic anti-virals against SARS-CoV-2 M-Pro as the primary target. We identified several natural molecules like delta-viniferin, myricitrin, taiwanhomoflavone A, lactucopicrin 15-oxalate, nympholide A, afzelin, biorobin, hesperidin and phyllaemblicin B that strongly binds to SARS-CoV-2 M-Pro. Intrestingly, these molecules also showed strong binding with other potential targets of SARS-CoV-2 infection like viral receptor human angiotensin-converting enzyme 2 (hACE-2) and RNA dependent RNA polymerase (RdRp). We anticipate that our approach for identification of multi-target-directed ligand will provide new avenues for drug discovery against SARS-CoV-2 infection. Communicated by Ramaswamy H. Sarma

}, keywords = {Coronavirus, COVID-19, hACE-2, MPro, multi-target-directed ligand, protease inhibitor, RdRp, SARS-CoV-2 virus}, issn = {0739-1102}, doi = {10.1080/07391102.2020.1760137, Early Access Date = MAY 2020}, author = {Joshi, Rakesh S. and Jagdale, Shounak S. and Bansode, Sneha B. and Shankar, S. Shiva and Tellis, Meenakshi B. and Pandya, Vaibhav Kumar and Chugh, Anita and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article {46830, title = {Distinct metabolic states of a cell guide alternate fates of mutational buffering through altered proteostasis}, journal = {Nature Communications}, volume = {11}, year = {2020}, month = {JUN}, pages = {2926}, type = {Article}, abstract = {

Metabolic changes alter the cellular milieu; can this also change intracellular protein folding? Since proteostasis can modulate mutational buffering, if change in metabolism has the ability to change protein folding, arguably, it should also alter mutational buffering. Here we find that altered cellular metabolic states in E. coli buffer distinct mutations on model proteins. Buffered-mutants have folding problems in vivo and are differently chaperoned in different metabolic states. Notably, this assistance is dependent upon the metabolites and not on the increase in canonical chaperone machineries. Being able to reconstitute the folding assistance afforded by metabolites in vitro, we propose that changes in metabolite concentrations have the potential to alter protein folding capacity. Collectively, we unravel that the metabolite pools are bona fide members of proteostasis and aid in mutational buffering. Given the plasticity in cellular metabolism, we posit that metabolic alterations may play an important role in cellular proteostasis.

}, issn = {2041-1723}, doi = {10.1038/s41467-020-16804-6}, author = {Verma, Kanika and Saxena, Kanika and Donaka, Rajashekar and Chaphalkar, Aseem and Rai, Manish Kumar and Shukla, Anurag and Zaidi, Zainab and Dandage, Rohan and Shanmugam, Dhanasekaran and Chakraborty, Kausik} } @article {46683, title = {Drug-drug cocrystals of anticancer drugs erlotinib-furosemide and gefitinib-mefenamic acid for alternative multi-drug treatment}, journal = {Crystengcomm}, volume = {22}, year = {2020}, month = {OCT }, pages = {6137-6151}, type = {Article}, abstract = {

Drug-drug cocrystals of anticancer drugs erlotinib and gefitinib with furosemide and mefenamic acid, respectively, have been synthesized. The 1:1 erlotinib-furosemide cocrystal crystallizes in the monoclinic centrosymmetric P2(1)/n space group containing one molecule of each component in the asymmetric unit. In contrast the 1:1 gefitinib-mefenamic acid cocrystal hydrate belongs to the monoclinic centrosymmetric P2(1)/c space group comprising one molecule of both drugs along with one water molecule in the asymmetric unit. The solubility and dissolution rate study revealed higher solubility for BCS class II drugs, furosemide, and mefenamic acid, while the solubility and dissolution rate of erlotinib showed a significant reduction in the cocrystal salt. Conversely, the solubility of gefitinib didn{\textquoteright}t reveal a substantial decrease; however, the dissolution rate has been reduced in the cocrystal hydrate. Further, an attempt has been made to correlate the crystal structures of the erlotinib-furosemide and gefitinib-mefenamic acid cocrystals with their solubilities and dissolution rate.

}, issn = {1466-8033}, doi = {10.1039/d0ce00353k}, author = {George, Christy P. and Thorat, Shridhar H. and Shaligram, Parth S. and Suresha, P. R. and Gonnade, Rajesh G.} } @article {46887, title = {Dual responsive cellulose microspheres with high solid-state fluorescence emission}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {591}, year = {2020}, month = {APR}, pages = {124510}, type = {Article}, abstract = {

Materials that respond to multiple stimuli such as magnetic field and light are attractive for security and medical diagnostic applications. One of the major challenges in dual functional microspheres is that the presence of magnetic nanoparticles can quench fluorescence emission. Also, there is a probability of solid-state quenching due to the proximity of the fluorophore. We report here a facile approach to prepare cellulose microspheres with high solid-state fluorescence using 40 \% tetrabutylammonium hydroxide (TBAH). The fluorescence quenching effect due to the presence of Fe3O4 nanoparticles and solid-state quenching due to aggregation of fluorophore was systematically investigated. Microspheres with the detectable magnetic response and fluorescence quantum yield as high as 0.57 (FMB 414) was obtained by optimizing the reaction conditions. Such a high quantum yield has not been reported before for dual stimuli-responsive fluorescent microspheres. The magnetic and fluorescent properties were found to be durable even after multiple washing cycles. These dual responsive cellulose microspheres can be added as security features to authenticate documents such as passports, degree certificates, currency notes, financial documents etc.

}, keywords = {Fluorescent, Magnetic, Microcrystalline cellulose, microspheres, Stimuli responsive microspheres, Tetrabutylammonium hydroxide}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2020.124510}, author = {Yadav, Prashant and Prajitha, K. P. and Dhaware, Vinita and Subramani, Mohan and Joy, Pattayil and Asha, S. K. and Shanmuganathan, Kadhiravan} } @article {46908, title = {Dynamic protein interfaces and conformational landscapes of membrane protein complexes}, journal = {Current Opinion in Structural Biology}, volume = {61}, year = {2020}, month = {APR}, pages = {191-197}, type = {Review}, abstract = {

Dynamic interactions between membrane proteins span a range of spatio-temporal scales and determine several cellular outcomes. Experimental methods in structure determination are able to resolve static protein-protein complexes at the membrane, but lack the resolution required for disordered, flexible domains and dynamic interactions. Computational approaches could bridge the resolution gap and help to unravel molecular details underlying these crucial interactions. Here, we review current approaches to predict dynamic membrane-protein complexes, with a focus on G protein-coupled receptors (GPCRs). Ensemble coarse-grain simulations have captured the conformational heterogeneity of several membrane receptor complexes. In conjunction, the conformational plasticity of protein interfaces especially encompassing unstructured domains is well represented by atomistic simulations. A combined integrative approach will pave the way forward to understand the molecular details of these dynamic complexes.

}, issn = {0959-440X}, doi = {10.1016/j.sbi.2020.01.001}, author = {Kharche, Shalmali A. and Sengupta, Durba} } @article {46937, title = {Effect of aromatic rings and substituent on the performance of lithium batteries with rylene imide cathodes}, journal = {ChemElectroChem}, volume = {7}, year = {2020}, month = {MAR }, pages = {1160-1165}, type = {Article}, abstract = {

Rylene imides (RIs) are attractive organic battery materials because of the inherent modularity of the molecules. While strong aggregation of RIs is disadvantageous for fast lithium-ion transport in the organic active material, decreasing the solubility of the RIs in battery electrolytes is essential to avoid performance fading. Therefore, the design and synthesis of RIs for lithium batteries is a non-trivial task that must, among other considerations, balance lithium-ion transport in the solid material vs. low solubility by controlling aggregation and packing. We have chosen triphenylamine (TPA) as a substituent which disrupts the aggregation but maintains a low solubility due to increased aromaticity of TPA. We have synthesized three RIs with one, two, and four aromatic units in the core. All of them showed stable specific capacity over 300 charge-discharge cycles. The batteries also showed specific capacities close to their theoretical capacities with 97-99 \% coulombic efficiency. The maximum specific energy and specific power were 197 mWh g(-1) and 37 mW g(-1), respectively.

}, keywords = {lithium-ion batteries, organic cathode material, rylene imides, solubility, triphenylamine}, issn = {2196-0216}, doi = {10.1002/celc.202000118}, author = {Aher, Jagdish and Graefenstein, Alexander and Deshmukh, Gunvant and Subramani, Kumar and Krueger, Bastian and Haensch, Mareike and Schwenzel, Julian and Krishnamoorthy, Kothandam and Wittstock, Gunther} } @article {46730, title = {Effect of physical properties of dispersed phase on the residence time distribution in straight capillaries}, journal = {Chemical Engineering Science}, volume = {222}, year = {2020}, month = {AUG }, pages = {115715}, type = {Article}, issn = {0009-2509}, doi = {10.1016/j.ces.2020.115715}, author = {Raval, Joy and Suryawanshi, Nalinee B. and Kulkarni, Amol A.} } @article {46615, title = {Effect of tert-alcohol functional imidazolium salts on oligomerization and fibrillization of amyloid beta (1-42) peptide}, journal = {Biophysical Chemistry}, volume = {267}, year = {2020}, month = {DEC}, pages = {106480}, type = {Article}, abstract = {

Imidazolium based IL{\textquoteright}s has gained vast interest in developing biological applications. Oligomerization and fibrillization of amyloid beta (1-42) peptide are mainly responsible for the extra-neuronal deposition of amyloid fibrils in neurodegenerative disorders like Alzheimer{\textquoteright}s disease (AD). Here, we report an effect of tert-BuOH-functional imidazolium ILs on oligomerization and fibrillization of amyloid beta (1-42) Peptide in vitro. In this study, a series of these [alkyl-(t)OHim][OMs] ILs with methyl sulphonate counter anion by varying alkyl chains were used. Among the seven protic ILs, four showed strong binding and inhibition activity for the formation of amyloid beta (1-42) aggregation by using Thioflavin T fluorescence binding assay. The secondary structural analysis of the peptide, pre-incubated with active ILs shows the loss of ordered beta-sheet amyloid structure. The longer alkyl chain ILs showed that an increased in amyloid binding and hence an inhibition effect on amyloid aggregation was enhanced. Thus, we propose that ILs could be presented as potential candidates for therapeutic intervention against Alzheimer{\textquoteright}s disease (AD).

}, keywords = {Aggregation, Amyloid beta (1-42) peptide, Biofilm inhibitor, Imidazolium ionic liquid}, issn = {0301-4622}, doi = {10.1016/j.bpc.2020.106480}, author = {Said, Madhukar S. and Navale, Govinda R. and Yadav, Ashok and Khonde, Nilesh and Shinde, Sandip S. and Jha, Anjali} } @article {46707, title = {Efficient processing of reactions involving diazonium salts: meerwein arylation in an impinging-jet reactor}, journal = {Organic Process Research \& Development}, volume = {24}, year = {2020}, month = {SEP}, pages = {1658-1664}, type = {Article}, abstract = {

This work reports a novel approach for performing high-throughput synthesis of Meerwein arylation in an impingingjet reactor. The multistep reaction was performed in a single reactor via in situ diazonium salt generation followed by Meerwein arylation. The work involves many iterations between experiments and simulations (where we integrate simulating the flow, heat transfer, and reaction simultaneously) for optimization of conditions in an inverted impinging-jet reactor. The effect of design variables viz. catalyst concentration, inlet temperature, and monomer mole ratio on the yield of the desired product was studied in detail, and the simulation results were used to plan the continuous experiments. An infrared camera was used to monitor the transient reactor temperature for steady-state analysis. The lab-scale inverted impinging-jet reactor with over 93\% isolated yield can offer a space-time yield of 277.78 tons/m(3)/day. The numbering-up of an inverted impinging-jet reactor can be an effective way for cleaner production of products through typical Meerwein arylation.

}, keywords = {computational fluid dynamics, high throughput synthesis, impinging-jet reactor, IR camera, Meerwein arylation, Numbering-up}, issn = {1083-6160}, doi = {10.1021/acs.oprd.0c00271}, author = {Shukla, Chinmay A. and Atapalkar, Ranjit S. and Kulkarni, Amol A.} } @article {46768, title = {EGCG impedes human Tau aggregation and interacts with Tau}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {JUL}, pages = {12579}, type = {Article}, abstract = {

Tau aggregation and accumulation is a key event in the pathogenesis of Alzheimer{\textquoteright}s disease. Inhibition of Tau aggregation is therefore a potential therapeutic strategy to ameliorate the disease. Phytochemicals are being highlighted as potential aggregation inhibitors. Epigallocatechin-3-gallate (EGCG) is an active phytochemical of green tea that has shown its potency against various diseases including aggregation inhibition of repeat Tau. The potency of EGCG in altering the PHF assembly of full-length human Tau has not been fully explored. By various biophysical and biochemical analyses like ThS fluorescence assay, MALDI-TOF analysis and Isothermal Titration Calorimetry, we demonstrate dual effect of EGCG on aggregation inhibition and disassembly of full-length Tau and their binding affinity. The IC50 for Tau aggregation by EGCG was found to be 64.2 mu M.

}, issn = {2045-2322}, doi = {10.1038/s41598-020-69429-6}, author = {Sonawane, Shweta Kishor and Chidambaram, Hariharakrishnan and Boral, Debjyoti and Gorantla, Nalini Vijay and Balmik, Abhishek Ankur and Dangi, Abha and Ramasamy, Sureshkumar and Marelli, Udaya Kiran and Chinnathambi, Subashchandrabose} } @article {46748, title = {Electrochemical evaluation of the stability and capacity of r-GO-wrapped copper antimony chalcogenide anode for Li-ion battery}, journal = {ChemElectroChem}, volume = {7}, year = {2020}, month = {AUG }, pages = {3291-3300}, type = {Article}, abstract = {

Poor cycling stability and capacity fade are primary concerns for next-generation anode materials for Li-ion batteries. In non-carbonaceous anode materials, alloying with Li leads to volume increase that affects practical applications, and increase in particle size, amorphization and reduced conductivity can all lead to a loss of performance. In this work, binary antimony sulfide (Sb2S3) and ternary copper antimony sulfide (CuSbS2) are synthesized by a convenient solvothermal process. These materials are used to study the Li-active/inactive concept, by incorporating Cu into Sb(2)S(3)forming CuSbS(2)wherein Cu is Li inactive whereas Sb is Li active. By direct comparison, we have shown that incorporating Cu into binary antimony sulfide (Sb2S3) resulting into ternary copper antimony sulfide (CuSbS2) addresses the problem of poor conductivity and capacity loss, as Cu provides conductivity leading to enhanced charge transfer and prevents Sb particle aggregation while charge-discharge by exhibiting spectator or diluent ion effect. The better performance of CuSbS(2)is associated with the better Li(+)ion diffusion in the CuSbS2(D=8.97x10(-15) cm(2) s(-1)) compared to Sb2S3(D=2.76x10(-15) cm(2) s(-1)) and lower series resistance of CuSbS2(R=4.70x10(5) omega) compared to Sb2S3(R=5.81x10(8) omega). We have also investigated the composite with the addition of rGO. The CuSbS2-rGO delivered a reversible capacity of 672 mAh g(-1)after 1000 cycles at 200 mA g(-1)which has shown best performance.

}, keywords = {Batteries, chalcogenides, Diffusion coefficient, lithium, Ternary sulfides}, issn = {2196-0216}, doi = {10.1002/celc.202000625}, author = {Yadav, Poonam and Sharma, Neha and Patrike, Apurva and Sabri, Ylias M. and Jones, Lathe A. and Shelke, V. Manjusha} } @article {46799, title = {Electrochemical performance of pre-lithiated ZnMoO4 and r-GO@ZnMoO4 composite anode for lithium-ion battery application}, journal = {Journal of the Taiwan Institute of Chemical Engineers}, volume = {112}, year = {2020}, month = {JUL}, pages = {60-66}, type = {Article}, abstract = {

Exploring a safer replacement of Li metal anode is crucial for technological, and fundamental importance. Li-metal is a preferred choice as anode material for lithium-ion battery (LIB) applications. However, parasitic dendritic growth on the Li metal surface during cycling causes instability and safety dreads. In the present study, we have investigated that the pre-lithiated ZnMoO4 is superior to its carbon-based counterparts (r-GO@ZnMoO4), moreover safer and sustainable than Li metal anode. The pre-lithiated ZnMoO4 delivers a better reversible capacity (similar to 1000 mAhg(-1) at 0.1 Ag-1), superior rate capability (similar to 400 mAh g(-1) at 2 Ag-1), and excellent cycling stability over 300 cycles at 0.1 Ag-1, as compared to bare ZnMoO4 and r-GO@ZnMoO4 composite. The present investigation is an attempt to provide a substitute for commonly used Li-metal/carbon anodes with better performance. (C) 2020 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

}, keywords = {Cycling stability, Electrochemistry, Li-ion battery, Nyquist plot, Rate performance, ZnMoO4 nanocomposites}, issn = {1876-1070}, doi = {10.1016/j.jtice.2020.07.009}, author = {Bin Masood, Khalid and Parte, Golu and Jain, Neha and Dwivedi, Pravin K. and Kumar, Pushpendra and Shelke, V, Manjusha and Patel, Rp and Singh, Jai} } @article {46900, title = {Electrospun fibers and sorbents as a possible basis for effective composite wound dressings}, journal = {Micromachines}, volume = {11}, year = {2020}, month = {APR}, pages = {441}, type = {Article}, abstract = {

Skin burns and ulcers are considered hard-to-heal wounds due to their high infection risk. For this reason, designing new options for wound dressings is a growing need. The objective of this work is to investigate the properties of poly (epsilon-caprolactone)/poly (vinyl-pyrrolidone) (PCL/PVP) microfibers produced via electrospinning along with sorbents loaded with Argovit (TM) silver nanoparticles (Ag-Si/Al2O3) as constituent components for composite wound dressings. The physicochemical properties of the fibers and sorbents were characterized using scanning electron microscopy (SEM), differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR) and inductively coupled plasma optical emission spectroscopy (ICP-OES). The mechanical properties of the fibers were also evaluated. The results of this work showed that the tested fibrous scaffolds have melting temperatures suitable for wound dressings design (58-60 degrees C). In addition, they demonstrated to be stable even after seven days in physiological solution, showing no macroscopic damage due to PVP release at the microscopic scale. Pelletized sorbents with the higher particle size demonstrated to have the best water uptake capabilities. Both, fibers and sorbents showed antimicrobial activity against Gram-negative bacteria Pseudomona aeruginosa and Escherichia coli, Gram-positive Staphylococcus aureus and the fungus Candida albicans. The best physicochemical properties were obtained with a scaffold produced with a PCL/PVP ratio of 85:15, this polymeric scaffold demonstrated the most antimicrobial activity without affecting the cell viability of human fibroblast. Pelletized Ag/Si-Al2O3-3 sorbent possessed the best water uptake capability and the higher antimicrobial activity, over time between all the sorbents tested. The combination of PCL/PVP 85:15 microfibers with the chosen Ag/Si-Al2O3-3 sorbent will be used in the following work for creation of wound dressings possessing exudate retention, biocompatibility and antimicrobial activity.

}, keywords = {electrospinning, poly (epsilon-caprolactone), poly (vinyl pyrrolidone), silver sorbents, wound dressings}, doi = {10.3390/mi11040441}, author = {Saul Alvarez-Suarez, Alan and Dastager, Syed G. and Bogdanchikova, Nina and Grande, Daniel and Pestryakov, Alexey and Carlos Garcia-Ramos, Juan and Lizeth Perez-Gonzalez, Graciela and Juarez-Moreno, Karla and Toledano-Magana, Yanis and Smolentseva, Elena and Antonio Paz-Gonzalez, Juan and Popova, Tatiana and Rachkovskaya, Lyubov and Nimaev, Vadim and Kotlyarova, Anastasia and Korolev, Maksim and Letyagin, Andrey and Jesus Villarreal-Gomez, Luis} } @article {46821, title = {Electrospun nanofibers of Tin phosphide (SnP0.94) nanoparticles encapsulated in a carbon matrix: a tunable conversion-cum-alloying lithium storage anode}, journal = {Energy \& Fuels}, volume = {34}, year = {2020}, month = {JUN}, pages = {7648-7657}, type = {Article; Proceedings Paper}, abstract = {

Anodes with improved Li storage capability are required for next-generation lithium batteries. In this work we report a convenient synthesis strategy, based on electrospinning followed by reduction and phosphorization, to prepare a tin phosphide (SnP0.94) phase in a carbon nanofiber matrix. The layered structure offered by the SnP0.94 phase, along with its small size (5-20 nm) encapsulated in the conducting carbon matrix, leads to promising electrochemical Li storage characteristics. This composite has a capacity of 750 mAh g(-1) at 100 mA g(-1) with good cycling and rate stability. Electrochemical studies revealed a faster diffusion coefficient (1.86 x 10(-11) cm(2) s(-1)) for Li in the composite compared to the bare SnP0.94 (8.57 x 10(-14) cm(2) s(-1)), confirming the promise of this class of materials for cation storage in battery anodes.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.0c01046}, author = {Yadav, Poonam and Malik, Wahid and Dwivedi, Pravin Kumari and Jones, Lathe A. and Shelke, Manjusha V.} } @article {46747, title = {Elucidating the effect of CaF 2 on structure, biocompatibility and antibacterial properties of S53P4 glass}, journal = {Journal of Alloys and Compounds}, volume = {831}, year = {2020}, month = {AUG }, pages = {154704}, type = {Article}, abstract = {

The present work focuses on the synthesis and structural elucidation of fluoride containing bioactive glasses in the system (in mol\%) given by (53.86) SiO2\ {\textendash} (22.65) Na2O {\textendash} (21.77-x) CaO {\textendash} (1.72) P2O5\ {\textendash} x CaF2, where, x\ =\ 0, 5.44, 10.885 and 16.33. The role of the incorporated fluoride and its distribution within the glass were interpreted and analyzed using Molecular dynamics (MD) simulations and the results were compared with the modified random network (MRN) model. The interpretations from the model have been verified using the MAS-NMR spectroscopy technique. According to this model, fluoride containing bioactive glasses have been proposed to consist of silicate rich network regions and modifier cation {\textendash} fluoride rich inter-network regions. The interface region was found to consist of non-bridging oxygen species (NBO) and phosphate cations which are either isolated orthophosphates (Q0P) or bridged with silicates in the form of pyrophosphate (Q1P) units forming Si{\textendash}O{\textendash}P bonds. The gradual substitution of CaF2\ for CaO in the base glass resulted in an increase in the silicate network connectivity with a reduction in the NBOs and lead to an increase in the association of modifier cations with fluoride ions. However, fluoride ions were found to show a marginal preference to associate with Na+\ cations leading to a decrease in the association of Na+\ ions with orthophosphate and silicate units. These overall structural findings were correlated with the\ in\ vitro\ ion dissolution behaviour of the bioactive glasses as well as with the thermal properties. The glasses were tested for their\ in\ vitro\ cell viability towards mouse osteoblast type (MC3T3) cells in which fluoride containing bioactive glasses did not show any toxicity and exhibited better cell proliferation. The antibacterial efficacy of the fluoride containing glasses was tested at various concentrations (5, 10 and 20\ mg/ml) in\ E.coli\ bacterial inoculum in which bactericidal action was evidenced.

}, keywords = {Fluoride bioactive glasses, In~vitro apatite formation and bactericidal action, MAS-NMR spectroscopy, MD simulations}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2020.154704}, author = {Prasad, Sakthi and Ganisetti, Sudheer and Jana, Anuradha and Kant, Shashi and Sinha, P. K. and Tripathy, Sucheta and Illath, Kavya and Ajithkumar, T. G. and Annapurna, K. and Allu, Amarnath R. and Biswas, Kaushik} } @article {46782, title = {Enantioselective synthesis of tricyclic beta-lactones by NHC-catalyzed desymmetrization of cyclic 1,3-diketones}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {JUL}, pages = {5407-5411}, type = {Article}, abstract = {

The NHC-catalyzed desymmetrization of cyclic-1,3-diketones allowing the enantioselective construction of tricyclic beta-lactones with five contiguous stereocenters, including two quaternary stereocenters, has been developed. The mild and operationally simple addition of a-bromoenals to cyclopentane-1,3-diketone derivatives proceeds via the initial formation of chiral alpha,beta-unsaturated acylazolium intermediates and culminates in a cascade reaction, following the Michael-aldol-Iactonization pathway to deliver the beta-lactone derivatives in moderate to good yields and excellent selectivity.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c01756}, author = {Shee, Sayan and Mukherjee, Subrata and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {47307, title = {Enhanced anti-ageing and wound healing properties of Ficus religiosa L. bark, leaf and aerial root extract in human keratinocytes cell line (HaCaT)}, journal = {Vegetos}, volume = {33}, year = {2020}, month = {JAN}, pages = {158-165}, type = {Article}, abstract = {

Plants have played a vital role in curative and preventive healthcare.\ Ficus religiosa\ L., a medicinally important tree has been used as a traditional medicine to treat various ailments and skin diseases. However, its skin anti-ageing properties are not yet scientifically evaluated. Here we report the comparison of\ F. religiosa\ bark (FRAqB), leaf (FRAqL) and aerial-roots (FRAqAR) extracts for skin anti-ageing and wound healing properties. FRAqB, FRAqL and FRAqAR extracts preparation, cell culture, RNA isolation, real time PCR, astringent activity and wound healing assay were carried out using standard methods. Axio Observer FL-microscope and ImageJ software were used for wound healing assay analysis. The real time PCR study reveals that matrix metalloproteinase-1 (MMP) RNA was downregulated to 75\% and 95\% for FRAqB and FRAqAR, respectively. For procollagen C-endopeptidase enhancer 1 (PCOLCE), FRAqB and FRAqL enhanced RNA levels by 500\% and 300\%, respectively. FRAqB and FRAqL increased wound healing area to about 60\% and FRAqAR by 50\%. All three extracts demonstrated astringent activity which is significant for skin tightening. The study proves that extracts of\ F. religiosa\ are prominent candidates for pharmaceutical and cosmetic applications such as skin anti-ageing and wound healing.

}, doi = {10.1007/s42535-019-00094-5}, author = {Pandey, Prem and Seo, Hyo Hyun and Kim, Hye-In and Ryu, Seung Hwan and Dingre, Medini and Moh, Sang Hyun and Kulkarni, Atul and Parasharami, Varsha A.} } @article {46836, title = {Enhancing the mechanical properties of 3D printed polylactic acid using nanocellulose}, journal = {Polymer Engineering and Science}, volume = {60}, year = {2020}, month = {AUG}, pages = {1842-1855}, type = {Article}, abstract = {

We report here a systematic investigation of the mechanical properties of polylactic acid (PLA) processed by fused filament fabrication (FFF) 3D printing vs PLA processed by compression molding. Our results show that the tensile strength and modulus of FFF-PLA is 49\% and 41\% lower, respectively, than compression molded samples of PLA. We also demonstrate here an approach to augment the mechanical properties of 3D printed PLA using nanocellulose. Incorporation of a small quantity (1 wt\%) of cellulose nanofibers (CNF) was found to enhance the tensile strength and modulus of 3D printed PLA by 84\% and 63\%, respectively. X-ray microtomography was used to probe the morphology of 3D printed PLA and PLA/CNF composites. 3D printed PLA/CNF composites had significantly lesser voids as compared to neat 3D printed PLA. Differential scanning calorimetry study revealed that CNF can accelerate the nucleation and crystallization of 3D printed PLA leading to enhanced crystallinity. The thermal stability of 3D printed PLA/CNF composites was not compromised by the addition of CNF. The enhanced mechanical properties of 3D printed PLA/CNF composites can be ascribed to higher crystallinity and lesser defects.

}, keywords = {3D printing, Biocomposites, composites, fused filament fabrication (FFF), Nanocellulose, polylactic acid (PLA)}, issn = {0032-3888}, doi = {10.1002/pen.25421, Early Access Date = JUN 2020}, author = {Ambone, Tushar and Torris, Arun and Shanmuganathan, Kadhiravan} } @article {46971, title = {Enhancing thermomechanical and chemical stability of polymer electrolyte membranes using polydopamine coated nanocellulose}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {FEB}, pages = {1988-1999}, type = {Article}, abstract = {

We report here an approach to enhance the chemical and thermomechanical stability of polymer electrolyte membranes without compromising proton conductivity. Multifunctional polydopamine coated nanocellulose (PNC) was prepared by oxidative polymerization of dopamine on nano cellulose fibers and subsequently incorporated in Nafion by solution blending. PNC had a very significant effect on the thermomechanical properties of Nafion showing up to 200\% improvement in the storage modulus at 90 degrees C. The PNC network also enhanced the dimensional stability of Nafion under constant stress. The 3 wt \% PNC composite membrane showed a drastic reduction in creep compliance of about 39.9\% and 46.5\% in J(max) at 30 degrees and 60 degrees C, respectively. Free radical scavenging properties of polydopamine also helped to significantly enhance the chemical stability of Nafion, which was ascertained by accelerated degradation tests conducted in Fenton{\textquoteright}s reagent at 70 degrees C over 40 days. F-19 CP MAS solid state NMR, FTIR, and tensile tests on the membranes show higher chemical stability of the 3 wt \% PNC composite membrane. The proton conductivity of the 3 wt \% PNC composite membrane at 90 degrees C and 100\% RH (similar to 125 mS/cm) was slightly higher than the Nafion membrane (similar to 94 mS/cm) at similar conditions. The retention of proton conductivity even with lower water uptake could be ascribed to proton hopping through polydopamine coated nanocellulose. Performance of the composite membrane was also evaluated in a single stack fuel cell and found to be better than recast Nafion. The benefits derived by this approach are not restricted to Nafion alone and shall broadly apply to many other polymer membranes.

}, keywords = {cellulose nanofibers, chemical stability, dimensional stability, fuel cell, polydopamine, polymer electrolyte membrane}, issn = {2574-0962}, doi = {10.1021/acsaem.9b02417}, author = {Ram, Farsa and Velayutham, Parthiban and Sahu, Akhila Kumar and Lele, Ashish K. and Shanmuganathan, Kadhiravan} } @article {46919, title = {Enteric pH responsive cargo release from PDA and PEG coated mesoporous silica nanoparticles: a comparative study in Drosophila melanogaster}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {MAR }, pages = {11716-11726}, type = {Article}, abstract = {

Physiological stimulus-specific cargo release from nanoparticle carriers is a holy grail of drug delivery research. While the majority of such work is carried out in vitro with cell lines, widespread use of common mammalian model systems - mice and rats - is difficult due to the associated cost and regulatory restrictions. Here we use the inexpensive, easily reared, excellent genetic model system Drosophila melanogaster to test pH responsive cargo release from widely used mesoporous silica nanoparticles (MSNs) coated with pH sensitive polydopamine (PDA) and polyethylene glycol (PEG) polymers. We synthesized 650 +/- 75 nm diameter PDA or PEG coated mesoporous silica nanoparticles loaded with a fluorescent dye and fed to individual adult flies. Subsequently, the passage of the particles were monitored through the fly gut. As in mammals, the fly intestine has multiple pH specific zones that are easily accessible for imaging and also genetic, biochemical or physiological manipulations. We observed that both the species of MSNs ruptured around the acidic (pH \< 4.0) middle midgut of the flies. PEG coated particles showed sharper specificity of release in the acidic middle midgut of flies than the PDA coated ones and had less tendency to clump together. Our results clearly show that the Drosophila gut can be used as a model to test pH responsive biocompatible materials in vivo. Our work paves the way for greater use of Drosophila as an in vivo complete systemic model in drug delivery and smart materials research. It also suggests that such specific delivery of chemical/biological cargo can be exploited to study basic biology of the gut cells and their communication with other organs.

}, doi = {10.1039/c9ra11019d}, author = {Sapre, Nidhi and Chakraborty, Rusha and Purohit, Poorvi and Bhat, Suresh and Das, Gaurav and Bajpe, Sneha R.} } @article {46989, title = {Enzymatic and non-enzymatic detoxification of reactive carbonyl compounds improves the oxidative stress tolerance in cucumber, tobacco and rice seedlings}, journal = {Journal of Plant Growth Regulation}, volume = {39}, year = {2020}, month = {SEP}, pages = {1359-1372}, type = {Article}, abstract = {

Detoxification of reactive carbonyl compounds (RCC) is crucial to sustain cellular activity to improve plant growth and development. Seedling growth is highly affected by accumulation of RCC under stress. We report non-enzymatic, enzymatic mechanisms of detoxification of RCC in the cucumber, tobacco and rice seedling systems exposed to glucose, NaCl, methyl viologen (MV) induced oxidative stress. The cucumber seedlings exposed to carbonyl stress had higher levels of malondialdehyde (MDA), protein carbonyls (PCs) and advanced glycation end-product N-carboxymethyl-lysine (AGE-CML) that negatively affected the seedling growth. The overexpression of enzyme encoding aldo-keto reductase-1 (AKR1) in tobacco and rice showed detoxification of RCC, MDA and methylglyoxal (MG) with improved seedling growth under glucose, NaCl and MV-induced oxidative stress. Further, small molecules like acetylsalicylic acid (ASA), aminoguanidine (AG), carnosine (Car), curcumin (Cur) and pyridoxamine (PM) showed detoxification of RCC non-enzymatically and rescued the cucumber seedling growth from glucose, NaCl and MV-stress. In autotrophically grown rice seedlings these molecules substantially improved seedling growth under MV-induced oxidative stress. Seedlings treated with the small molecules sustained higher guaiacol peroxidase (GPX) enzyme activity signifying the role of small molecules in reducing carbonyl stress-induced protein inactivation and AGE-CML protein modifications. The results showed that besides enzymatic detoxification of RCC, the small molecules also could reduce cytotoxic effect of RCC under stress. The study demonstrates that small molecules are attractive compounds to improve the seedling growth under stress conditions.

}, keywords = {Oxidative stress, plant growth, Reactive carbonyl scavengers, Seed germination, small molecules}, issn = {0721-7595}, doi = {10.1007/s00344-020-10072-w, Early Access Date = JAN 2020}, author = {Nareshkumar, Ambekar and Subbarao, Sindhu and Vennapusa, Amarnatha Reddy and Ashwin, Vargheese and Banarjee, Reema and Kulkarni, Mahesh J. and Ramu, Vemanna S. and Udayakumar, Makarla} } @article {46621, title = {Essential gene prediction using limited gene essentiality information-an integrative semi-supervised machine learning strategy}, journal = {PloS One}, volume = {15}, year = {2020}, month = {NOV }, pages = {e0242943}, type = {Article}, abstract = {

Essential gene prediction helps to find minimal genes indispensable for the survival of any organism. Machine learning (ML) algorithms have been useful for the prediction of gene essentiality. However, currently available ML pipelines perform poorly for organisms with limited experimental data. The objective is the development of a new ML pipeline to help in the annotation of essential genes of less explored disease-causing organisms for which minimal experimental data is available. The proposed strategy combines unsupervised feature selection technique, dimension reduction using the Kamada-Kawai algorithm, and semi-supervised ML algorithm employing Laplacian Support Vector Machine (LapSVM) for prediction of essential and non-essential genes from genome-scale metabolic networks using very limited labeled dataset. A novel scoring technique, Semi-Supervised Model Selection Score, equivalent to area under the ROC curve (auROC), has been proposed for the selection of the best model when supervised performance metrics calculation is difficult due to lack of data. The unsupervised feature selection followed by dimension reduction helped to observe a distinct circular pattern in the clustering of essential and non-essential genes. LapSVM then created a curve that dissected this circle for the classification and prediction of essential genes with high accuracy (auROC \> 0.85) even with 1\% labeled data for model training. After successful validation of this ML pipeline on both Eukaryotes and Prokaryotes that show high accuracy even when the labeled dataset is very limited, this strategy is used for the prediction of essential genes of organisms with inadequate experimentally known data, such as Leishmania sp. Using a graph-based semi-supervised machine learning scheme, a novel integrative approach has been proposed for essential gene prediction that shows universality in application to both Prokaryotes and Eukaryotes with limited labeled data. The essential genes predicted using the pipeline provide an important lead for the prediction of gene essentiality and identification of novel therapeutic targets for antibiotic and vaccine development against disease-causing parasites.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0242943}, author = {Nandi, Sutanu and Ganguli, Piyali and Sarkar, Ram Rup} } @article {47325, title = {Evaluation of uttroside B, a saponin from Solanum nigrum Linn, as a promising chemotherapeutic agent against hepatocellular carcinoma (vol 6, 36318, 2016)}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {NOV}, pages = {20431}, type = {Correction}, abstract = {

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

}, issn = {2045-2322}, doi = {10.1038/s41598-020-77440-0}, author = {Nath, Lekshmi R. and Gorantla, Jaggaiah N. and Thulasidasan, Arun Kumar T. and Vijayakurup, Vinod and Shah, Shabna and Anwer, Shabna and Joseph, Sophia M. and Antony, Jayesh and Veena, Kollery Suresh and Sundaram, Sankar and Marelli, Udaya K. and Lankalapalli, Ravi S. and Anto, Ruby John} } @article {46654, title = {EviMass: a literature evidence-based miner for human microbial associations (vol 10, 849, 2019)}, journal = {Frontiers in Genetics}, volume = {11}, year = {2020}, month = {NOV }, pages = {614051}, type = {Correction}, keywords = {Human Disease, literature mining, microbial association, Microbiome, Web server}, doi = {10.3389/fgene.2020.614051}, author = {Srivastava, Divyanshu and Baksi, Krishanu D. and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {46673, title = {Expeditious and solvent-free nickel-catalyzed c-h arylation of arenes and indoles (vol 10, pg 2242, 2017)}, journal = {ChemSusChem}, volume = {13}, year = {2020}, month = {NOV }, pages = {5771}, type = {Correction}, keywords = {Arylation, C-H activation, heterocycles, Homogeneous catalysis, Nickel}, issn = {1864-5631}, doi = {10.1002/cssc.202002313, Early Access Date = OCT 2020}, author = {Jagtap, Rahul A. and Soni, Vineeta and Punji, Benudhar} } @article {47012, title = {Exploring the pharmacological potentials of biosurfactant derived from planococcus maritimus SAMP MCC 3013}, journal = {Current Microbiology}, volume = {77}, year = {2020}, month = {MAR}, pages = {452-459}, type = {Article}, abstract = {

Therapeutic potential of biosurfactant (BS) has been improved in recent years. Our present study deals with production of BS from Planococcus maritimus SAMP MCC 3013 in a mineral salt medium (MSM) supplemented with glucose (1.5\% w/v). Further, BS has been purified and partially characterized as glycolipid type through our previous publication. Current research article aimed to evaluate biological potential of BS against Mycobacterium tuberculosis, Plasmodium falciparum and cancerous cell lines. Planococcus derived glycolipid BS was found to be a promising inhibitor of M. tuberculosis (MTB) H37Ra at IC50 64.11 +/- 1.64 mu g/mL and MIC at 160.8 +/- 1.64 mu g/mL. BS also showed growth inhibition of P. falciparum at EC50 34.56 +/- 0.26 mu M. Additionally, BS also displayed the cytotoxicity against HeLa (IC50 41.41 +/- 4.21 mu g/mL), MCF-7 (IC50 42.79 +/- 6.07 mu g/mL) and HCT (IC50 31.233 +/- 5.08 mu g/mL) cell lines. Molecular docking analysis was carried for the most popular glycolipid type BS namely Rhamnolipid (RHL) aiming to interpret the possible binding interaction for anti-tubercular and anti-cancer activity. This analysis revealed the involvement of RHL binding with enoyl reductase (InhA) of M. tuberculosis. Docking studies of RHL with tubulin directed several hydrophobic and Vander Waal interactions to exhibit anti-cancer potential. The present study will be helpful for further development of marine bioactive molecules for therapeutic applications. Their anti-tubercular, anti-plasmodial and cytotoxic activities make BS molecules as a noteworthy candidate to combat several diseases. To the best of our knowledge, this is the first report on projecting the pharmacological potential of Planococcus derived BS. Graphic

}, issn = {0343-8651}, doi = {10.1007/s00284-019-01850-1, Early Access Date = JAN 2020}, author = {Waghmode, Samadhan and Swami, Sagar and Sarkar, Dhiman and Suryavanshi, Mangesh and Roachlani, Sneha and Choudhari, Prafulla and Satpute, Surekha} } @article {46684, title = {Fabrication of mesoporous carbon supported Ni-Mo catalysts for the enhanced conversion of glucose to ethylene glycol}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {OCT}, pages = {15958-15965}, type = {Article}, abstract = {

Mesoporous carbon (MC)-supported Ni-Mo catalysts with varying amounts of Ni (x= 0, 3, 6 and 9 wt\%) and Mo (y= 0, 10, 15 and 20 wt\%) were prepared using the wet-impregnation method and characterized. Their catalytic activity in the selective conversion of aqueous glucose solution (15 wt\%) to ethylene glycol (EG) in a batch reaction was investigated. A catalyst, with 3\% Ni and 15\% Mo on MC showed the highest activity and selectivity. The complete conversion of glucose with 63.2\% yield of EG was obtained in a reaction conducted for 6 h at 200 degrees C and 40 bar hydrogen pressure. A synergistic enhancement in catalytic performance was found when both Ni and Mo were present in the catalyst composition. The dispersion of Mo enhanced in presence of Ni and a part of Mo was reduced from +6 to lower oxidation states (+5 and +4), which imparted the acidity of the catalyst. Ni facilitated the hydrogenation activity and acid sites on Mo led to the retro-aldol reaction forming higher amounts of EG. The catalyst was found to be reusable.

}, issn = {1144-0546}, doi = {10.1039/d0nj03196h}, author = {Kirali, Arun Arunima and Sreekantan, Sreejith and Marimuthu, Banu} } @article {46911, title = {Fe3+ stabilized 3D cross-linked glycine-melamine formaldehyde networks as precursor for highly efficient oxygen reduction catalyst in alkaline media}, journal = {Materials Letters}, volume = {264}, year = {2020}, month = {APR 1}, pages = {127365}, type = {Article}, abstract = {

Development of inexpensive oxygen reduction electrocatalyst with high activity and durability is very important. Herein, iron carbide encapsulated pod-like graphitic carbon structures were prepared by simple pyrolysis involving Fe-glycine complex integrated melamine-formaldehyde resin precursor. The best catalyst among those studied, Fe-Gly 2 MF-C, possessing high degree of graphitization (I-D /I-G = 0.99) and enhanced specific surface area (205 m(2)/g) exhibited the highest ORR activity with a half-wave potential of 0.80 V in alkaline medium through the four-electron reduction pathway. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {fuel cell, Graphitic carbon alloy, Iron carbide, ORR}, issn = {0167-577X}, doi = {10.1016/j.matlet.2020.127365}, author = {Kottarathil, Shijina and Illathvalappil, Rajith and Nisa, S. and Sailaja, G. S. and Mohamed, Peer A. and Nair, Balagopal N. and Gopinathan, Anilkumar M. and Kurungot, Sreekumar and Yamaguchi, Takeo and Hareesh, U. S.} } @article {46940, title = {FeNx/FeSx-anchored carbon sheet-carbon nanotube composite electrocatalysts for oxygen reduction}, journal = {ACS Applied Nano Materials}, volume = {3}, year = {2020}, month = {MAR}, pages = {2234-2245}, type = {Article}, abstract = {

Even though various Pt-free electrocatalysts for oxygen reduction reaction (ORR) have been introduced, many of them are found to be active only in alkaline conditions. Considering Nafion, phosphoric acid-doped polybenzimidazole (PBI), and so on as the prominent ionomer membranes, used in the commercially available polymer electrolyte membrane fuel cells (PEMFCs), it becomes important that any development on the Pt-free catalysts should ensure the better ORR performance under acidic conditions. The present work effectively tackles this issue, where an ORR-based catalyst could be prepared with simultaneous incorporation of both Fe-N and Fe-S active sites on in situ generated carbon sheets which are spatially separated by the carbon nanotube (CNT) network. This catalyst shows ability to perform under both acidic and basic conditions. This has been achieved by growing a polyethylenedioxythiophene polymer network in the presence of CNT and melamine followed by its pyrolysis under an inert atmosphere. The catalyst formed at 900 degrees C (PMCNT-900) displays 0.94 V onset potential for ORR under acidic electrolyte conditions, which corresponds to 60 mV overpotential compared to its 40 wt \% Pt/C counterpart. Interestingly, in single cell demonstration of Nafion-based PEMFC with PMCNT-900 as the cathode catalyst, the system delivered a maximum power density (PD) of 500 and 275 mW/cm(2) at 60 degrees C under H-2-O-2 and H-2-air feed conditions, respectively. On the other hand, in a single cell test in the anion exchange membrane fuel cell (AEMFC) mode, a maximum power density of 65 mW/cm(2) at 50 degrees C could be achieved with the same cathode catalyst, which is a comparable value obtained while employing Pt/C as the cathode. These results, thus, infer to the efficiency of the catalyst to facilitate ORR under the extreme pH conditions, and particularly its performance under acidic condition reveals its prospect as a potential Pt-free electrocatalyst to serve in the Nafion-based systems.

}, keywords = {carbon nanotube, electrocatalyst, fuel cell, oxygen reduction reaction, Pt-free ORR}, issn = {2574-0970}, doi = {10.1021/acsanm.9b02335}, author = {Bhange, Siddheshwar N. and Soni, Roby and Singla, Gourav and Ajithkumar, T. G. and Kurungot, Sreekumar} } @article {46883, title = {Flexible energy storage device based on poly(N-phenylglycine), an incentive-energy pseudocapacitive conducting polymer, and electrochemically exfoliated graphite sheets}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {8}, year = {2020}, month = {APR}, pages = {6433-6441}, type = {Article}, abstract = {

Poly(N-phenylglycine) (PNPG), an original pseudocapacitive conjugative conducting polymer (CP), was synthesized by the electro-oxidative polymerization method. The synthesis process involves in situ polymerization and electro-deposition of N-phenylglycine onto the surface of highly conductive, few-layered, exfoliated flexible graphite sheets (EFGSs). At first, the promising features of the conjugative structure of the as-prepared protonated PNPG were thoroughly investigated by UV-vis absorption spectrophotometry, micro-Raman spectroscopy, and X-ray photoelectron spectroscopy analysis. The protonated nitrogen groups facilitate the rapid accessibility of counter ions from the electrolyte. Electrochemical studies revealed that the PNPG/E-FGS electrode exhibits an extraordinary areal specific capacitance of 367 mF cm(-2) at 10 mV s(-1). A flexible solid-state symmetrical supercapacitor was further fabricated using PNPG/E-FGS electrodes, exhibiting a specific capacitance as high as 199 mF cm(-2) at 1 mA cm(-2) with an operating voltage of 1.1 V. Furthermore, the device delivered an excellent specific energy of 8.36 mu W h cm(-2) at a power density of 1.65 mW cm(-2) in a working potential window of 1.1 V. More significantly, the energy density was nearly doubled to 16.1 mu W h cm(-2) upon extending the potential window from 1.1 to 1.5 V. The extremely redox-active CP electrode is highly suitable for applications in high-energy electrochemical capacitors with wide operating potential window.

}, keywords = {conducting polymer, electro-polymerization, exfoliated graphite, flexible supercapacitor, poly(N-phenylglycine)}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.0c00880}, author = {Muniraj, Vedi Kuyil Azhagan and Boukherroub, Rabah and Shelke, Manjusha Vilas} } @article {46785, title = {Functional stability and structural transitions of a kunitz trypsin inhibitor from chickpea (CaTI2)}, journal = {Protein Journal}, volume = {39}, year = {2020}, month = {AUG}, pages = {350-357}, type = {Article}, abstract = {

Enzymes are important tools for various applications. We have studied structural transitions and functional stability of a Kunitz trypsin inhibitor from Chickpea (CaTI2), a potent insect gut-protease inhibitor, under different stress conditions like non-neutral pH, elevated temperature and co-solvent concentrations. CaTI2 was cloned and expressed in an eukaryotic systemP. pastorisand was investigated for conformational transitions using circular dichroism spectroscopy, differential scanning fluorimetry and activity assay. Native CaTI2 has a sheet dominant structure with 40\% beta sheets and possess a single tryptophan residue situated in the hydrophobic core of the enzyme. The recombinant inhibitor maintained its maximum activity under alkaline pH with its secondary structure intact between pH 6-10. CaTI2 was observed to be thermally stable up to 55 degrees C with aT(m) of 61.3 degrees C above which the protein unfolds. On treating with chemical denaturant (urea), the CaTI2 lost its inhibitory potential and native conformation beyond 2 M urea concentration. Moreover, the protein unfolded at lower temperatures as the concentration of denaturant increased, suggesting more complex structural changes. Further, the stability of the inhibitor was found to be directly proportional to the solvent polarity. The data, herein offers significant information of inhibitor stability and activity which could be exploited for its further development into an effective pesticide. [GRAPHICS] .

}, keywords = {Chickpea, Circular dichroism spectroscopy, Differential scanning fluorimetry, Functional stability, Kunitz trypsin inhibitor}, issn = {1572-3887}, doi = {10.1007/s10930-020-09911-2, Early Access Date = JUL 2020}, author = {Bendre, Ameya D. and Shukla, Ekta and Ramasamy, Sureshkumar} } @article {46994, title = {Functionalization of alkynes and alkenes using a cascade reaction approach: synthesis of beta-keto sulfones under metal-free conditions}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {JAN}, pages = {716-725}, type = {Article}, abstract = {

Here, we are reporting a multicomponent cascade reaction approach for the synthesis of beta-keto sulfones by exploiting differential reactivity pattern of substrates under open-atmosphere and metal-free conditions. The coupling partners are aryldiazonium salts, unsaturated compounds, and DABSO. The optimized conditions worked well with both alkenes and alkynes. Moreover, the reaction also works with metabisulfite for the source of sulfone. The controlled liquid chromatography-mass spectrometry and O-18-labelled experiments suggested that air is a source of the incoming oxygen atom of the keto group of beta-keto sulfones.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.9b02779}, author = {Kumar, Mukesh and Ahmed, Riyaz and Singh, Maninder and Sharma, Shweta and Thatikonda, Thanusha and Singh, Parvinder Pal} } @article {46850, title = {Functionalized magnetic nanosized materials for efficient biodiesel synthesis via acid-base/enzyme catalysis}, journal = {Green Chemistry}, volume = {22}, year = {2020}, month = {MAY}, pages = {2977-3012}, type = {Review}, abstract = {

According to the principles of green chemistry, the rapid recovery and reuse of catalysts after a catalytic reaction are important factors to realize the sustainable management of chemical production processes. The functionalization of magnetic nanoparticles is the basis for the efficient separation of heterogeneous catalysts from the reaction system by using the magnetic separation technology as well as for effectively bridging heterogeneous and homogeneous catalytic processes. This can considerably improve the production efficiency and reduce energy consumption as well. Owing to important applications as a potential biofuel or fuel additive, the synthesis of biodiesel mainly from low-cost biomass feedstocks has received considerable attention in the current biorefinery research. A simple synthesis process coupled with the application of functionalized magnetic catalysts can remarkably reduce the production cost and minimize waste generation, thereby promoting the potential development of green catalytic processes for the large-scale synthesis of biodiesel. In this review, the preparation methods, structural and performance control, and protection and functionalization of magnetic nanoparticles as well as the consequent catalytic effects in the synthesis of biodiesel (mainly long-chain fatty acid methyl esters) have been reported. In addition, various representative reaction mechanisms are discussed, emphasizing the existing challenges and prospects of industrialization.

}, issn = {1463-9262}, doi = {10.1039/d0gc00924e}, author = {Wang, Anping and Sudarsanam, Putla and Xu, Yufei and Zhang, Heng and Li, Hu and Yang, Song} } @article {46722, title = {Functionalized single-walled carbon nanohorns to reinforce sulfonated poly(ether ether ketone) electrolyte for direct methanol fuel cells}, journal = {ChemElectroChem}, volume = {7}, year = {2020}, month = {SEP }, pages = {3632-3636}, type = {Article}, abstract = {

Carbon-nanomaterial-based additives are promising materials for improving the physicochemical properties of sulfonated polyether ether ketone (sPEEK) for its use as composite membrane electrolyte in direct methanol fuel cells (DMFCs). In this work, functionalized single-wall carbon nanohorns (f-SWNHs) are realized as an additive in sPEEK. The -COOH groups created on the SWNHs during peroxide treatment improve the dispersion of f-SWNHs in sPEEK and boost the proton conductivity, ion exchange capacity, mechanical properties and reduce the methanol permeability of the electrolyte. The composite membrane with 0.50 wt.\% f-SWNHs shows improved electrochemical selectivity of 17.03x10(-4) Scm(-3)s and delivers the highest peak power density of 230 mW cm(-2)in DMFCs.

}, keywords = {carbon nanohorns, direct methanol fuel cells, membrane electrolyte, proton conductivity, sulfonated poly ether ether ketone}, issn = {2196-0216}, doi = {10.1002/celc.202000866}, author = {Turanelloormana, Parameswaran and Sarmah, Sudeshna and Torris, Arun and Bhat, Santoshkumar D. and Unni, SreeKuttan M.} } @article {46992, title = {Furan-derived chiral bicycloaziridino lactone synthon: collective syntheses of oseltamivir phosphate (Tamiflu), (S)-pipecolic acid and its 3-hydroxy derivatives}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {FEB }, pages = {415-424}, type = {Article}, abstract = {

A unified synthetic strategy for oseltamivir phosphate (tamiflu), (S)-pipecolic acid, and its 3-hydroxy derivatives from furan derived common chiral bicycloaziridino lactone synthon is described here. Key features are the short (4-steps), enantiopure, and decagram-scale synthesis of common chiral synthon from furan and its first-ever application in the total synthesis of biologically active compounds by taking the advantages of high functionalization ability of chiral synthon.

}, keywords = {Aziridine synthon, Chiral auxiliary, collective synthesis, Pipecolic acid, Tamiflu}, issn = {1861-4728}, doi = {10.1002/asia.201901523, Early Access Date = JAN 2020}, author = {Chavan, Subhash P. and Kadam, Appasaheb L. and Shinde, Shrikrishna S. and Gonnade, Rajesh G.} } @article {46835, title = {Generation and evaluation of pharmacologically relevant drug-drug cocrystal for gout therapy}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {JUN }, pages = {3577-3583}, type = {Article}, abstract = {

The present study reports a novel drug-drug cocrystal of febuxostat and piroxicam for the treatment of gout. Single crystal X-ray diffraction revealed a monoclinic system with P2(1)/c space group. The prepared cocrystal enhanced the solubility of febuxostat and piroxicam and improved the dissolution rate of piroxicam in pH 6.8 as compared to the pure drug. Further, the compressibility assessment of cocrystal by Aulton and Wells method confirmed its plastic behavior and suitability for direct compression.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.0c00106}, author = {Modani, Sheela and Gunnam, Anilkumar and Yadav, Balvant and Nangia, Ashwini K. and Shastri, Nalini R.} } @article {46924, title = {Glass transition temperature of polybutadiene and polyisoprene from high temperature segmental relaxation correlation using molecular dynamics}, journal = {Soft Materials}, volume = {18}, year = {2020}, month = {JUL }, pages = {290-296}, type = {Article}, abstract = {

Predicting glass transition temperature for rubber and rubber composites is immensely important for tire industry for the development of products and fine-tune process conditions. Molecular dynamics simulation is been used to predict glass transition temperature as a function of molecular-level structural changes, e.g., composition (functional groups), topology, and polymerization. However, prediction of glass transition temperature within experimental error bar from molecular dynamics simulation is only possible from all atomistic description (model) of the system as united atom and coarse-grained models under-predict the values. Conventional way of calculation of glass transition temperature from density (or any other properties which show sharp transition)-temperature plots are computationally very demanding because of atomistic simulations and simulations below the glass transition point, i.e., in glassy state. Here we report a novel method for calculation of glass transition temperature using only segmental relaxation correlation functions calculated at higher temperatures, i.e., above glass transition temperature. We have presented a protocol here and shown for two polymeric systems polybutadiene and polyisoprene. We believe this method cuts the computational cost of predicting glass transition temperature by one-third and will be applicable for industrial applications for structure-property validations.

}, keywords = {Glass transition temperature, molecular dynamics simulation, Polymers, rubber}, issn = {1539-445X}, doi = {10.1080/1539445X.2020.1739709, Early Access Date = MAR 2020}, author = {Sharma, Pragati and Roy, Sudip} } @article {46819, title = {Gold-catalyzed alkynylative meyer-schuster rearrangement}, journal = {Organic Letters}, volume = {22}, year = {2020}, month = {JUN}, pages = {4792-4796}, type = {Article}, abstract = {

By applying the {\textquoteleft}{\textquoteleft}interplay{\textquoteright}{\textquoteright} mode, which consolidates two key reactivity modes of gold catalysis, namely pi-activation mode and cross-coupling mode, the first alkynylative Meyer-Schuster rearrangement is designed and successfully implemented. The current protocol gives straightforward access to enynones, a highly valuable building block, from easily available propargyl alcohol feedstocks. Control experiments suggest an Au(III) catalyst triggers the Meyer-Schuster rearrangement, whereas monitoring the reaction with ESI-HRMS provided strong evidence in favor of a key alkynylgold(III) intermediate which supports the proposed {\textquoteleft}{\textquoteleft}interplay{\textquoteright}{\textquoteright} scenario.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.0c01596}, author = {Banerjee, Somsuvra and Ambegave, Shivhar B. and Mule, Ravindra D. and Senthilkumar, Beeran and Patil, Nitin T.} } @article {46863, title = {Graphene-MnO2 composite supercapacitor material accomplished tactically using liquid-liquid and solid-liquid interface reaction techniques}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {MAY}, pages = {6853-6861}, type = {Article}, abstract = {

A novel methodology is described to grow architectures of 3-dimensional graphene nanosheet (GNS)-manganese oxide (MnO2) composite materials to be used in supercapacitors. The in situ growth of the three-dimensional MnO2 fiber-network over the surface of graphene layers is achieved at the solid-liquid interface. The composite electrode shows good electron and charge transfer, rapid plus reversible faradaic reactions and excellent cyclic ability in electrochemical studies. The electrochemical properties of the as-prepared GNS-MnO2/FTO electrode material were assessed by cyclic voltammetry and galvanostatic charge/discharge tests. The specific capacitance of GNS-MnO2 reaches 683 F g(-1) at a current density of 2.2 A g(-1) and shows excellent cycle stability, retaining 96.9\% of its initial capacitance up to 5000 cycles. A coulomb efficiency of about 99\% displayed by the GNS-MnO2/FTO electrode is an excellent performance for a desired supercapacitor material. Herein, the charge storage mechanism in 3-dimensional graphene nanosheet (GNS)-manganese oxide (MnO2) composite is discussed in detail. Furthermore, at an elevated current density of similar to 10.86 A g(-1), a power density of similar to 6.235 kW kg(-1) is achieved, maintaining an energy density of similar to 7.99 kW h kg(-1); thus, it demonstrates promising potential as an electrode material for supercapacitor application.

}, issn = {1144-0546}, doi = {10.1039/c9nj05898b}, author = {Patil, Sagar H. and Gaikwad, Aarti P. and Waghmode, Babasaheb J. and Sathaye, Shivaram D. and Patil, Kashinath R.} } @article {46896, title = {Highly dispersed MnOx nanoparticles on shape-controlled SiO2 spheres for ecofriendly selective allylic oxidation of cyclohexene}, journal = {Catalysis Letters}, volume = {150}, year = {2020}, month = {OCT}, pages = {3023-3035}, type = {Article}, abstract = {

Shape-controlled metal nanomaterials are considered as a unique class of catalysts because of their synergistic size- and shape-dependent catalytic properties. This work reports the synthesis of a novel size- and shape-controlled catalyst, consisting of highly dispersed MnOx nanoparticles (average particle size of 4.5 nm) on shape-controlled SiO2 nanospheres (250-300 nm) for selective cyclohexene oxidation using air as the oxidant under solvent- and base-free conditions. The MnOx/SiO2 catalyst exhibited an excellent cyclohexene conversion (92\%) with a high selectivity (96\%) to the allylic products (2-cyclohexene-ol and 2-cyclohexene-one) under mild conditions, outperforming various SiO2 supported CoOx, FeOx, and CuOx catalysts. The better performance of shape-controlled MnOx/SiO2 nanocatalyst is due to high redox nature of Mn, uniform dispersion of smaller sized MnOx nanoparticles, and synergetic interaction between MnOx and SiO2 spheres, as evidenced by XPS and TEM studies. Further, the MnOx/SiO2 catalyst could be reused at least 5 times for selective cyclohexene oxidation with a negligible loss in its catalytic performance, indicating the excellent stability of shape-controlled metal nanocatalysts in organic synthesis under economically viable and mild conditions.

}, keywords = {Cyclohexene oxidation, MnOx nanoparticles, Shape-controlled catalyst, SiO2 nanospheres, Structure-performance relationship, Synergetic interaction}, issn = {1011-372X}, doi = {10.1007/s10562-020-03205-z, Early Access Date = APR 2020}, author = {Rao, Bolla Govinda and Sudarsanam, Putla and Rao, Tumula Venkateshwar and Amin, Mohamad Hassan and Bhargava, Suresh K. and Reddy, Benjaram M.} } @article {46729, title = {Highly durable Li-ion battery anode from Fe3O4 nanoparticles embedded in nitrogen-doped porous carbon with improved rate capabilities}, journal = {Journal of Materials Science}, volume = {55}, year = {2020}, month = {NOV}, pages = {15667-15680}, type = {Article}, abstract = {

For next generation, lithium-ion batteries (LIBs) developing high capacity anode materials are crucial with increasing demand of large-scale application. Conversion-type anode materials are promising if stable cycling behavior could be achieved. In this work, a nitrogen-doped porous carbon-Fe3O4(NPC-Fe3O4) nanocomposite is synthesized via a simple and scalable approach. Composite is prepared by pyrolysis of polymer silica hybrid PolyHIPE (high internal phase emulsion) into NPC, and Fe3O4 nanoparticles (NPs) are anchored on its surface via hydrothermal synthesis. As-prepared NPC-Fe3O4 nanocomposite delivers high reversible capacity of around 1001 mAhg(-1)at 0.1 Ag-1 current density and rate capabilities and displays excellent cycling stability as high as 95\% capacity retention even after 400 cycles. Superior electrochemical performance of NPC-Fe3O4 is attributed to the hierarchical porous structure and nitrogen doping of carbon which shorten the diffusion path of Li+ and provide ample space to prevent aggregation of Fe3O nanoparticles. [GRAPHICS] .

}, issn = {0022-2461}, doi = {10.1007/s10853-020-05143-y, Early Access Date = AUG 2020}, author = {Deshmukh, Ashvini B. and Dwivedi, Pravin K. and Nalawade, Archana C. and Qureshi, Mohammed S. and Shelke, Manjusha V.} } @article {46834, title = {Highly efficient chemoselective N-tert butoxycarbonylation of aliphatic/aromatic/heterocyclic amines using diphenylglycoluril as organocatalyst}, journal = {Tetrahedron}, volume = {76}, year = {2020}, month = {JUN }, pages = {131223}, type = {Article}, abstract = {

An efficient approach for the Chemoselective N-tert-butoxycarbonylation of a variety of amines using diphenylglycoluril as organocatalyst has been described. For the first time, a plausible mechanism for the N-tert-butoxycarbonylation has been proposed using density functional theory (DFT) calculations supported by NMR studies. The reusability of the organocatalyst and observation of the desired N-Boc protected amines being formed without the formation of side products like urea, oxazolidinone, isocyanate, and N, N-di-Boc derivatives makes the present protocol desirable. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {DFT studies, Diphenylglycouril, N-tert butoxycarbonylation, organocatalyst, Proton shuttle mechanism}, issn = {0040-4020}, doi = {10.1016/j.tet.2020.131223}, author = {Awasthi, Amardeep and Mukherjee, Anagh and Singh, Mandeep and Rathee, Garima and Vanka, Kumar and Chandra, Ramesh} } @article {46995, title = {Highly enantioselective synthesis of sitagliptin}, journal = {Asian Journal of Organic Chemistry}, volume = {9}, year = {2020}, month = {FEB}, pages = {189-191}, type = {Article}, abstract = {

A highly enantioselective synthesis of sitagliptin, a potent DPP-4 inhibitor, is reported. Explicitly identified chiral FerroLANE ligands in the presence of rhodium catalyze the asymmetric hydrogenation of an enamine to yield sitagliptin with excellent enantioselectivity (98\% ee). The process was scaled up to 5 g and the final product was isolated as a phosphate salt with \>99\% ee.

}, keywords = {asymmetric hydrogenation, catalysis, FerroLANE ligands, Rhodium, sitagliptin}, issn = {2193-5807}, doi = {10.1002/ajoc.201900709, Early Access Date = JAN 2020}, author = {Khopade, V. Kishor and Sen, Anirban and Birajdar, Rajkumar S. and Paulbudhe, Uday P. and Kavale, Dattatry S. and Shinde, Prashant S. and Mhaske, Santosh B. and Chikkali, Samir H.} } @article {46602, title = {Highly reproducible, simple and selective analytical method for extractive UV-visible spectrophotometric determination of ruthenium (III): analysis of catalyst, fissium alloy and sequential separation}, journal = {Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy}, volume = {243}, year = {2020}, month = {DEC}, pages = {118814}, type = {Article}, abstract = {

An easy and selective method has been developed for the extractive spectrophotometric determination of ruthenium(III) with 4-(4{\textquoteright}-flurobenzylideneimino)-3-methyl-5-mercapto-1,2,4-triazole (FBIMMT) as a chelating reagent. The basis of the method is the formation of stable complex of {\textquoteleft}soft base{\textquoteright} FBIMMT with {\textquoteleft}soft acid{\textquoteright} ruthenium(M). The reagent FBIMMT in n-butanol easily forms extractable yellow coloured complex with ruthenium(III) in acetate buffer of pH 4.8. The absorbance of [Ru(III)-FBIMMT] complex is measured at 394 nm against the reagent blank. Good linearity range of concentration up to 27.0 mu g mL(-1) of ruthenium(III) is attained with correlation coefficient R-2 = 0.998. The optimum concentration range is 6 to 27.0 mu g mL(-1) which is deduced by Ringbom{\textquoteright}s plot. The apparent molar absorptivity found to be 2.75 x 10(3) L mol(-1) cm(-1). Some additional characteristics such as limit of detection (LOD = 0.48 mu g mL(-1)), limit of quantification (LOQ = 1.19 mu g mL(-1)), and Sandell{\textquoteright}s sensitivity (SS = of 0.0367 mu g cm(-2)) arc also estimated. The composition of [Ru (III)-FBIMMT1 complex has been established from Job{\textquoteright}s continuous variation method, mole ratio method, and log-log plot method. The specificity towards ruthenium(III) is well studied and appropriate masking agents are applied wherever required to boost it. The intra-day and inter-day precision values are found to be brilliant with \% relative standard deviation of 0.52 and 0.68 respectively with \% accuracy within the range of 99.00-100. The method is effectively used for determination of ruthenium(III) from water samples, binary and ternary synthetic mixtures, fissium alloy samples and catalyst materials. A scheme for sequential group separation of ruthenium(III), palladium(II) and osmium (VIII) has also been developed. The reproducible results of the present method confirm that the method has a good potential for quantitative determination of ruthenium(III) from various matrices. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Alloy samples, FBIMMT, Ruthenium(III), Spectrophotometric determination, Synthetic mixtures}, issn = {1386-1425}, doi = {10.1016/j.saa.2020.118814}, author = {Shaikh, Abdul B. and Barache, Umesh B. and Khogare, Balaji T. and Goswami, Ritusmita and Kokare, Balasaheb N. and Wadgaonkar, Prakash P. and Gaikwad, Shashikant H.} } @article {46930, title = {Highly sensitive label-free bio-interfacial colorimetric sensor based on silk fibroin-gold nanocomposite for facile detection of chlorpyrifos pesticide}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {MAR}, pages = {4198}, type = {Article}, abstract = {

Herein, the preparation of gold nanoparticles-silk fibroin (SF-AuNPs) dispersion and its label-free colorimetric detection of the organophosphate pesticide, namely chlorpyrifos, at ppb level are reported. The silk fibroin solution was extracted from B. mori silk after performing degumming, dissolving and dialysis steps. This fibroin solution was used for synthesis of gold nanoparticles in-situ without using any external reducing and capping agent. X-ray Diffractometry (XRD), Field Emission Transmission Electron Microscopy (FETEM) along with Surface Plasmon Resonance based optical evaluation confirmed generation of gold nanoparticles within SF matrix. The resultant SF-AuNPs dispersion exhibited rapid and excellent colorimetric pesticide sensing response even at 10 ppb concentration. Effect of additional parameters viz. pH, ionic concentration and interference from other pesticide samples was also studied. Notably, SF-AuNPs dispersion exhibited selective colorimetric pesticide sensing response which can be calibrated. Furthermore, this method was extended to various simulated real life samples such as tap water, soil and agricultural products including plant residues to successfully detect the presence of chlorpyrifos pesticide. The proposed colorimetric sensor system is facile yet effective and can be employed by novice rural population and expert researchers alike. It can be exploited as preliminary tool for label-free colorimetric chlorpyrifos pesticide sensing in water and agricultural products.

}, issn = {2045-2322}, doi = {10.1038/s41598-020-61130-y}, author = {Mane, Pramod C. and Shinde, Manish D. and Varma, Sanjana and Chaudhari, Bhushan P. and Fatehmulla, Amanullah and Shahabuddin, M. and Amalnerkar, Dinesh P. and Aldhafiri, Abdullah M. and Chaudhari, Ravindra D.} } @article {47021, title = {High-throughput metabolomic and transcriptomic analyses vet the potential route of cerpegin biosynthesis in two varieties of Ceropegia bulbosa Roxb.}, journal = {Planta}, volume = {251}, year = {2020}, month = {JAN}, pages = {28}, type = {Article}, abstract = {

Ceropegia bulbosa is an important medicinal plant, used in the treatment of various ailments including diarrhea, dysentery, and syphilis. This is primarily attributed to the presence of pharmaceutically active secondary metabolites, especially cerpegin. As this plant belongs to an endemic threatened category, genomic resources are not available hampering exploration on the molecular basis of cerpegin accumulation till now. Therefore, we undertook high-throughput metabolomic and transcriptomic analyses using different tissues from two varieties namely, C. bulbosa var. bulbosa and C. bulbosa var. lushii. Metabolomic analysis revealed spatial and differential accumulation of various metabolites. We chemically synthesized and characterized the cerpegin and its derivatives by liquid chromatography tandem-mass spectrometry (LC-MS/MS). Importantly, these comparisons suggested the presence of cerpegin and 5-allyl cerpegin in all C. bulbosa tissues. Further, de novo transcriptome analysis indicated the presence of significant transcripts for secondary metabolic pathways through the Kyoto encyclopedia of genes and genomes database. Tissue-specific profiling of transcripts and metabolites showed a significant correlation, suggesting the intricate mechanism of cerpegin biosynthesis. The expression of potential candidate genes from the proposed cerpegin biosynthetic pathway was further validated by qRT-PCR and NanoString nCounter. Overall, our findings propose a potential route of cerpegin biosynthesis. Identified transcripts and metabolites have built a foundation as new molecular resources that could facilitate future research on biosynthesis, regulation, and engineering of cerpegin or other important metabolites in such non-model plants.

}, keywords = {5-Allyl cerpegin, Ceropegia, Cerpegin, LC-MS, metabolite, Transcriptome}, issn = {0032-0935}, doi = {10.1007/s00425-019-03319-8}, author = {Gharat, Sachin A. and Shinde, Balkrishna A. and Mule, Ravindra D. and Punekar, Sachin A. and Dholakia, Bhushan B. and Jayaramaiah, Ramesha H. and Ramaswamy, Gopalakrishna and Giri, Ashok P.} } @article {46658, title = {Hydrophobic interpenetrating polyamide-PDMS membranes for desalination, pesticides removal and enhanced chlorine tolerance}, journal = {Chemosphere}, volume = {258}, year = {2020}, month = {NOV}, pages = {127179}, type = {Article}, abstract = {

Hydrophobic membranes for desalination and toxic organic pollutant removal have been fabricated using polyamide - PDMS (polydimethylsiloxane) chemistries in a one-step protocol. The curing of polyamide and PDMS are orthogonal and co-curing both networks imparts hydrophobicity to the thin film composite membranes. The membranes exhibit increased adsorption of pesticides from the feed water along with maintaining excellent salt rejection capability (97\% NaCl rejection), thus giving the membranes a multifunctional character. Three toxic pesticides have been used in this study to demonstrate the viability of combining osmosis desalination technology with organic matter adsorption. The membranes also show excellent resistance to fouling by toxic pesticides (85\% salt rejection vs 67\% for commercial membranes in the presence of pesticides) and significantly improved chlorine tolerance (93.8\% salt rejection vs 86.5\% for commercial membranes after 20 h of exposure to sodium hypochlorite solution). (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {PDMS (Polydimethylsiloxane), Pesticide rejection, Salt rejection, Water purification membranes}, issn = {0045-6535}, doi = {10.1016/j.chemosphere.2020.127179}, author = {Khairkar, Shyam R. and Pansare, V, Amol and Shedge, Amol A. and Chhatre, Shraddha Y. and Suresh, A. K. and Chakrabarti, Subhananda and Patil, Vishwanath R. and Nagarkar, Amit A.} } @article {46775, title = {Ice templated nanocomposites containing rod-like hematite particles: Interplay between particle anisotropy and particle-matrix interactions}, journal = {Journal of Applied Physics}, volume = {128}, year = {2020}, month = {JUL }, pages = {034702}, type = {Article}, abstract = {

We demonstrate that the mechanical response of ice templated nanocomposite scaffolds prepared from ellipsoidal hematite particles is determined by both the particle aspect ratio and the interaction between the particles and the matrix polymer. We ice template aqueous dispersions of hematite particles, polyethyleneimine, and diepoxy crosslinker and crosslink the polymer in the frozen state. This protocol results in the formation of elastic macroporous monoliths capable of complete recovery from large compressive strains. Hematite particles show an inversion of their surface charge with pH: they are negatively charged at a basic pH and positively charged under acidic conditions. This allows us to change the interaction between hematite particles and crosslinked matrix polymer that they are embedded in, simply by immersing the monoliths in aqueous solutions with different pH{\textquoteright}s. We report that under basic conditions, viz, when polyethyleneimine adsorbs on the particle surface, there is a decrease in the monolith modulus with an increase in the particle aspect ratio. We demonstrate that this correlates with a change in the mechanism of monolith response: from wall compression for isotropic particles to wall bending for anisotropic particles with an aspect ratio of 4. Under acidic conditions (pH=2), where hematite particles show a positive zeta potential, the monolith modulus increases with the aspect ratio of the ellipsoidal fillers. Understanding the interplay between filler aspect ratio and filler-matrix interaction has important implications for the control of nanocomposite mechanical properties.

}, issn = {0021-8979}, doi = {10.1063/1.5144217}, author = {Kumaraswamy, Guruswamy and Suresh, Karthika and Lama, Hisay and Basavaraj, Madivala G. and Satapathy, Dillip K.} } @article {46891, title = {Identification and expression analysis of miRNAs and elucidation of their role in salt tolerance in rice varieties susceptible and tolerant to salinity}, journal = {PloS One}, volume = {15}, year = {2020}, month = {APR}, pages = {e0230958}, type = {Article}, abstract = {

Soil salinization is a serious problem for cultivation of rice, as among cereals rice is the most salt sensitive crop, and more than 40\% of the total agricultural land amounting to approximately 80 million ha the world over is salt affected. Salinity affects a plant in a varieties of ways, including ion toxicity, osmotic stress and oxidative damage. Since miRNAs occupy the top place in biochemical events determining a trait, understanding their role in salt tolerance is highly desirable, which may allow introduction of the trait in the rice cultivars of choice through biotechnological interventions. High throughput sequencing of sRNAs in the root and shoot tissues of the seedlings of the control and NaCl treated Pokkali, a salt-tolerant rice variety, identified 75 conserved miRNAs and mapped 200 sRNAs to the rice genome as novel miRNAs. Expression of nine novel miRNAs and two conserved miRNAs were confirmed by Northern blotting. Several of both conserved and novel miRNAs that expressed differentially in root and/or shoot tissues targeted transcription factors like AP2/EREBP domain protein, ARF, NAC, MYB, NF-YA, HD-Zip III, TCP and SBP reported to be involved in salt tolerance or in abiotic stress tolerance in general. Most of the novel miRNAs expressed in the salt tolerant wild rice Oryza coarctata, suggesting conservation of miRNAs in taxonomically related species. One of the novel miRNAs, osa-miR12477, also targeted L- upon salt treatment, which was confirmed by DAB staining. Thus, salt tolerance might involve miRNA-mediated regulation of 1) cellular abundance of the hormone signaling components like EREBP and ARF, 2) synthesis of abiotic stress related transcription factors, and 3) antioxidative component like LAO for mitigation of oxidative damage. The study clearly indicated importance of osa-miR12477 regulated expression of LAO in salt tolerance in the plant.

}, issn = {1932-6203}, doi = {10.1371/journal.pone.0230958}, author = {Parmar, Shaifaly and Gharat, Sachin Ashruba and Tagirasa, Ravichandra and Chandra, Tilak and Behera, Lambodar and Dash, Sushant Kumar and Shaw, Birendra Prasad} } @article {46725, title = {Influence of cobalt on performance of Cu-CeO2 catalysts for preferential oxidation of CO}, journal = {Journal of Rare Earths}, volume = {38}, year = {2020}, month = {SEP}, pages = {941-950}, type = {Article}, abstract = {

{Copper and cobalt oxides supported on CeO2 were investigated for preferential oxidation of carbon monoxide (CO-PROX) in the presence of excess hydrogen and CO2. (CuO)(1-x)(Co3O4)(x/3)-(CeO2)(2.5) (x = 0, 0.25, 0.50, 0.75, 0.85 and 1) catalysts were prepared by coprecipitation method. These mixed oxide catalysts were characterized by several physicochemical techniques, such as BET surface area (SBET), X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM), temperature programmed reduction (TPR) and X-ray photoelectron spectroscopy (XPS). XRD studies show the peaks related to CuO and Co3O4 phases in copper and cobalt containing CeO2 catalysts. The average particle size of the CeO2 crystallites is in the range of 8-10 nm as evaluated from HRTEM studies. XPS studies demonstrate that Cu, Co and Ce in (CuO)(1-x)(Co3O4)(x/3)-(CeO2)(2.5) catalysts are presented in +2 and +1, +3 and +2 and +4 and +3 oxidation states, respectively. The catalyst with x = 0.75 shows better activity and selectivity towards CO-PROX. Though the catalyst with only copper (CuO-CeO2

}, keywords = {CO-PROX, Cu-CeO2, H2O addition, Methanation, XPS, XRD}, issn = {1002-0721}, doi = {10.1016/j.jre.2019.08.001}, author = {Malwadkar, Sachin and Bera, Parthasarathi and Satyanarayana, C. V. V.} } @article {46977, title = {Influence of gold nanorods on the structure and photonic bandgap in a twist grain boundary phase with smectic C* blocks}, journal = {Journal of Molecular Liquids}, volume = {299}, year = {2020}, month = {FEB }, pages = {112117}, type = {Article}, abstract = {

We describe the first report of the influence of gold nanorods (GNR) on the induced twist grain boundary smectic C* (TGBC*) phase in a binary mixture of achiral bent-core and chiral linear liquid crystals. The GNR concentration-dependent phase diagram of these nanocomposites shows that the thermal range of this twist grain boundary phase having smectic C* blocks phase increases by 50\% for an intermediate composition compared to that for the host binary mixture without nanorods. The inclusion of the nanorods is seen to have substantial effect on the structural and photonic bandgap features of the TGBC* phase. For example, the helical periodidty gets altered in all the three dimensions: while those within the block undergo a huge increase, the one which is orthogonal to the blocks, shrinks. The spacing of the square grid pattern arising normal to the TGB helix direction increases for the nanocomposites getting even doubled for a certain composition, a feature evidenced by optical microscopy as well as optical diffraction. Xray diffraction clearly brings out the feature that the presence of GNR alters the thermal character of the transition between the TGBC* and the cholesteric phase. Quantitative analysis of the data indicates that the system would remain in the vicinity of a possible tricritical point, a behavior having wider ramifications to understand the underlying critical phenomenon. Based on the experimental observations, and capturing the essence of the reported adaptive defect core targeting mechanism we propose a model wherein GNRs get confined in the grain boundary region. This feature offers a potential to have periodic and anisotropic plasmonic structure arising out of the synergetic interactions between the metal nanorod and the twisted grain boundary structure. (C) 2019 Elsevier B.V. All rights reserved.

}, keywords = {3D photonic bandgap, Gold nanorods, Induced phase, TGBC* phase, Tricritical phenomena}, issn = {0167-7322}, doi = {10.1016/j.molliq.2019.112117}, author = {Sahoo, Rajalaxmi and Rao, D. S. Shankar and Hiremath, Uma S. and Yelamaggad, V. C. and Shinde, Pravin and Bhagavatula L. V. Prasad and Prasad, S. Krishna} } @article {47001, title = {Influence of the ion size on the stability of the smectic phase of ionic liquid crystals}, journal = {Soft Matter}, volume = {16}, year = {2020}, month = {JAN}, pages = {411-420}, type = {Article}, abstract = {

The thermotropic phase behavior of ionic liquids and ionic liquid crystals based on novel N-alkyl-3-methylpyridinium halides, trihalides and dichloroiodates was experimentally studied by polarized optical spectroscopy (POM) and differential scanning calorimetry (DSC) as well as by molecular dynamics (MD) simulation. In the experiments, the existence and thermal range of stability of the smectic phase of these ionic liquid crystals are found to strongly depend on the volume ratio between the cation and anion, that is their relative size. Only compounds with a relatively large volume ratio of the cation to anion, i.e., those with longer cationic alkyl chains and monoatomic halide anions, have a stable smectic A phase. Both melting points and clearing points increase with such a ratio. The MD simulation results qualitatively agree very well with the experimental data and provide molecular details which can explain the experimentally observed phenomena: the stronger van der Waals interactions from the longer alkyl chains and the stronger electrostatic interactions from the smaller anions with a higher charge density increase the stability of both the crystal phase and the smectic phase; this also prevents the ionic layers from easily mixing with the hydrophobic regions, a mechanism that ultimately leads to a nanosegregated isotropic liquid phase.

}, issn = {1744-683X}, doi = {10.1039/c9sm02115a}, author = {Cao, Wudi and Senthilkumar, Beeran and Causin, Valerio and Swamy, Vincent P. and Wang, Yanting and Saielli, Giacomo} } @article {46672, title = {Inhibition of quorum sensing, motility and biofilm formation ofpseudomonas aeruginosaby copper oxide nanostructures}, journal = {Journal of Cluster Science}, volume = {32}, year = {2020}, month = {OCT}, pages = {1531 - 1541}, type = {Article; Early Access}, abstract = {

Quorum sensing (QS) is the communication between bacterial cells governed by their population density and regulated by the genes controlling virulence factors and biofilm formation. Multiple mechanisms of biofilms are resistive to antimicrobial chemotherapy; therefore novel strategies are required to overcome its limitations. Here, we report the effect of various copper oxide nanostructures (CuO-NSs) on quorum sensing inhibition. The two-dimensional CuO-NSs such as interlaced nanodiscs, nanodiscs and leaf-shaped nanosheets are prepared via a simple chemical method. The Quorum sensing inhibition (QSI) activity of all the CuO-NS are examined using reporter strainChromobacterium violaceumCV026 andEscherichia colipSB1142. We found that the CuO-interlaced nanodisc structures exhibit better QSI activity than nanodiscs and leaf-shaped sheets. The interlaced nanodisc structures are inhibited various long-chainN-acyl homoserine lactones (AHLs) mediated QS individually and confirmed by other QS-associated phenomena forPseudomonas aeruginosa, including biofilm inhibition, inhibition of virulence factors such as pyocyanin, protease production and swarming motility. Thus QSI activity of CuO-NSs is solely dependent on specific shape offering large surface area and more active sites. The CuO-NS is effective quorum sensing inhibitors, which has potential clinical applications in the management ofP. aeruginosaassociated infections.

}, keywords = {aeruginosa, Biofilm, Nanostructures, P, quorum sensing, Virulence factors}, isbn = {1572-8862}, issn = {1040-7278}, doi = {10.1007/s10876-020-01916-2}, author = {Desai, Dnyanada G. and Swarali, H. and Navale, Govinda R. and Prabhune, A. and Late, Dattatray J. and Dharne, Mahesh S. and Walke, Pravin S.} } @article {46968, title = {Insights into the catalytic activity of Ru/NaY catalysts for efficient H-2 production through aqueous phase reforming}, journal = {Sustainable Energy \& Fuels}, volume = {4}, year = {2020}, month = {FEB }, pages = {678-690}, type = {Article}, abstract = {

Ruthenium nanoparticles supported on NaY zeolite catalysts were synthesized by a simple ion exchange method. The structural and morphological features of the catalysts were systematically investigated using numerous techniques such as N-2-sorption, XRD, CO2-TPD, H-2-TPR, TEM, SEM, ICP-OES, TGA, CHN analysis, XPS, in situ CO-FTIR and NMR spectroscopy. These novel Ru-NaY catalysts were highly active and selective for H-2 production through aqueous phase reforming (APR) of glycerol and ethylene glycol. Among the various catalysts evaluated for H-2 production, the 3 wt\% Ru-NaY catalyst demonstrated the highest catalytic performance with excellent H-2 selectivity and this catalyst exhibits better activity as compared to many state of the art catalysts reported so far. The superior catalytic activity of 3 wt\% Ru-NaY was attributed to the appropriate Ru metal loading, good metal dispersion, small size of Ru nanoparticles, better metal-support interaction, and higher availability of catalytically active sites (Ru-0) and facilitated water gas shift (WGS) reaction. This catalytic activity result clearly shows that NaY zeolite supported Ru nanoparticles catalysts have excellent potential for H-2 production from biomass-derived compounds.

}, issn = {2398-4902}, doi = {10.1039/c9se00797k}, author = {Gogoi, Pranjal and Nagpure, Atul S. and Kandasamy, Prabu and Satyanarayana, C. V. V. and Raja, Thirumalaiswamy} } @article {47002, title = {Integration of heterogeneous acid and base catalysis for clean synthesis of jet-fuel precursor from carbohydrates}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {JAN }, pages = {392-400}, type = {Article}, abstract = {

C-12 branched alkane fuel precursor was produced from carbohydrates using an efficient integrated solid acid and base catalysis approach involving: i) isomerisation-dehydration of carbohydrates to 5-(hydroxymethyl)furfural (HMF) over solid acid catalyst having both Lewis and Bronsted sites) in a biphasic MIBK (methylisobutylketone): water + DMSO solvent system and ii) Claisen-Schmidt condensation of crude HMF with MIBK over solid base catalyst. Initially, high yield of jet fuel precursor, (E)-1-(5-(hydroxymethyl)furan-2-yl)-5-methylhex-1-en-3-one from pure HMF and MIBK was achieved over basic CaMgAl(231) catalyst. The glucose dehydration to HMF was optimized in biphasic MIBK: H2O-NaCl: DMSO (8:1.5:0.5; v/v/v) system, with complete glucose conversion and 42\% HMF yield over Zr-Mont possessing both Lewis and Bronsted acid sites. In an integrated dehydration + Claisen-Schmidt condensation sequence, Zr-Mont catalyst was filtered off and the crude HMF with MIBK underwent Claisen-Schmidt condensation over CaMgAl(231) catalyst. The overall 32\% yield of Claisen-Schmidt condensation product was achieved from glucose. MIBK acting also as a product extractant, could be recovered upto 80\%.

}, keywords = {Claisen-Schmidt condensation, dehydration, integrated, jet-fuel precursor, renewable}, issn = {2365-6549}, doi = {10.1002/slct.201903735}, author = {Shinde, Suhas and Tarade, Komal and Mitra, Gaurav and Rode, Chandrashekhar} } @article {46926, title = {Investigating effect of strain on electronic and optical properties of lead free double perovskite Cs2AgInCl6 solar cell compound: A first principle calculation}, journal = {Journal of Alloys and Compounds}, volume = {817}, year = {2020}, month = {MAR}, pages = {152758}, type = {Article}, abstract = {

Despite serious problems associated with toxicity of lead, lead halide perovskite based solar cells have resulted with remarkable efficiency and hence gained much interest. To overcome this aspect, numerous solutions are attempted by researchers which include the development of new environmental friendly lead free double perovskite (DP) photovoltaic materials. Enlightening on the same line, we report first principle calculations on electronic and optical properties of Cs2AgInCl6 solar photovoltaic materials. Present opto-electronic computations for lead free DP compound, have been performed using the full potential linearized augmented plane wave method. In present investigations, we have adopted exchange and correlation potentials prescribed by Perdew et al. and the most accurate Tran-Blaha modified Becke-Johnson. Both exchange and correlation potential computations are performed with and without spin orbit coupling. Results obtained for electronic and optical properties are validated by systematic comparison with available experimental data. Reasonable reconciliation between investigated results and the available experimental data, endorse accuracy of present computations. To identify the effect of strain on energy gap and hence on the optical properties of Cs2AgInCl6 compound, computations of electronic and optical properties have also been performed under the different values of strain application. (C) 2019 Elsevier B.V. All rights reserved.

}, keywords = {Density functional theory, Electronic Structure, Optical properties, solar cells}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2019.152758}, author = {Soni, Amit and Bhamu, K. C. and Sahariya, Jagrati} } @article {46640, title = {Investigation of bond topological and electrostatic properties of plumbagin molecule: an experimental and theoretical charge density study}, journal = {Journal of Molecular Structure}, volume = {1220}, year = {2020}, month = {NOV}, pages = {128714}, type = {Article}, abstract = {

Plumbagin is a naturally occurring derivative with several medicinal properties including antioxidants, antifungal, antimalarial, leprosy and antitumor properties; their structural and electrostatic properties are yet to be determined. The crystal structure of plumbagin has been solved; it shows that the compound crystallizes in P2(1)/c space group with two molecules in the asymmetric unit. The electron density distribution of both molecules have determined from multipole model refinement. Among all the C-O bonds of both molecules (I \& II), the OH group connected C-O bond and the methyl group connected C-C bond exhibits less electron density and the negative Laplacian of electron density as well. Further, the electrostatic potential (ESP) surface of two plumbagin molecules show some difference in their electronegative regions. The carbonyl O-atoms exhibit high electronegative ESP regions which are the key reactive locations of plumbagin when bind with the active site of target protein and in the ESP map, an aromatic pi-cloud also observed in one of the molecule. The electron density distribution of O-H center dot center dot center dot O intermolecular interactions between the molecules I and II, reveals that these interactions are found very stronger than the other interactions in the crystal. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Dipole moment, Electron density, Electrostatic potential, intermolecular interactions, Plumbagin}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2020.128714}, author = {Kalaiarasi, Chinnasamy and Sivanandam, Magudeeswaran and Suganya, Suresh and Christy, George and Gonnade, Rajesh G. and Hathwar, Venkatesha R. and Kumaradhas, Poomani} } @article {46798, title = {Iron-catalyzed C(sp(2))-H alkylation of indolines and benzo[h]quinoline with unactivated alkyl chlorides through chelation assistance}, journal = {ACS Catalysis}, volume = {10}, year = {2020}, month = {JUL }, pages = {7312-7321}, type = {Article}, abstract = {

Regioselective C-H bond alkylation of indolines and benzo[h]quinoline with a wide range of unactivated and highly demanded primary and secondary alkyl chlorides is accomplished using a low-cost iron catalyst. This reaction tolerates diverse functionalities, such as C(sp(2))-Cl, fluoro, alkenyl, silyl, ether, thioether, pyrrolyl, and carbazolyl groups including cyclic and acyclic alkyls as well as alkyl-bearing fatty-alcohol and polycyclic-steroid moieties. The demonstrated iron-catalyzed protocol proceeded via either a five-membered or a six-membered metallacycle. Intriguingly, the C-7-alkylated indolines can be readily functionalized into free-NH indolines/indoles and tryptamine derivatives. A detailed mechanistic investigation highlights the participation of an active Fe(I) catalyst and the involvement of a halogen-atom transfer process via a single-electron-based mechanism. Deuterium labeling and kinetics analysis indicate that the C-H metalation of indoline is the probable turnover-limiting step. Overall, the experimental and theoretical studies supported an Fe(I)/Fe(III) pathway for the alkylation reaction comprising the two-step, one-electron oxidative addition of alkyl chloride.

}, keywords = {alkyl chlorides, Alkylation, C-H activation, chelation assistance, indolines, iron}, issn = {2155-5435}, doi = {10.1021/acscatal.0c02030}, author = {Jagtap, Rahul A. and Samal, Pragnya Paramita and Vinod, C. P. and Krishnamurty, Sailaja and Punji, Benudhar} } @article {46745, title = {Iron-catalyzed direct julia-type olefination of alcohols}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {AUG }, pages = {9876-9886}, type = {Article}, abstract = {

Herein, we report an iron-catalyzed, convenient, and expedient strategy for the synthesis of styrene and naphthalene derivatives with the liberation of dihydrogen. The use of a catalyst derived from an earth-abundant metal provides a sustainable strategy to olefins. This method exhibits wide substrate scope (primary and secondary alcohols) functional group tolerance amino, nitro, halo, alkoxy, thiomethoxy, and S- and N-heterocyclic compounds) that can be scaled up. The unprecedented synthesis of 1-methyl naphthalenes proceeds via tandem methenylation/double dehydrogenation. Mechanistic study shows that the cleavage of the C-H bond of alcohol is the rate-determining step.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c01173}, author = {Landge, Vinod G. and Babu, Reshma and Yadav, Vinita and Subaramanian, Murugan and Gupta, Virendrakumar and Balaraman, Ekambaram} } @article {46719, title = {LHRH-conjugated, PEGylated, poly-lactide-co-glycolide nanocapsules for targeted delivery of combinational chemotherapeutic drugs Docetaxel and Quercetin for prostate cancer}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {114}, year = {2020}, month = {SEP}, pages = {111035}, type = {Article}, abstract = {

One of the major challenges in effective cancer chemotherapy is the severe systemic cytotoxicities of anticancer drugs on healthy tissues. The present study reports chemically modified polymeric nanocapsules (NCs) encapsulating combination of chemotherapeutic drugs Docetaxel (DTX) and Quercetin (QU) for its active targeting to prostate cancer (PCa). The active targeting was achieved by conjugating Luteinizing-hormone-releasing hormone (LHRH) ligand to poly-lactide-co-glycolide (PLGA) using polyethylene glycol (PEG) as a spacer. The structure of the conjugates was characterized and confirmed using H-1 NMR and ATR-FTIR. The drug encapsulated NCs showed a homogenous size distribution with their size ranging between 120 and 150 nm, and exhibited a negative zeta potential in the range of - 20 to - 40 mV. The in vitro release studies highlighted the sustained drug release pattern from the respective NCs; while the PEG coating to polymeric NCs provided serum stability to the NCs. The in vitro biological evaluation of the NCs was conducted using PC-3 and LNCaP cell lines. The results of the cellular uptake studies showed a significantly higher untake of the LHRH targeted NCs, while the LHRH-targeted-PEGylated DTX: QU NCs exhibited higher caspase-3 activity. The cell viability assay results showed the enhanced cell inhibition activity of the combinatorial DTX: QU when compared to individual DTX. Further, higher cell cytotoxicity was achieved by LHRH-targeted DTX: QU NCs as compared to their free-form or non-targeted NCs. Finally, the results of in vivo tumor localization and in vivo antitumor activity studies complimented and upheld the in vitro results, demonstrating the beneficial role of PLGA-PEG-LHRH NCs encapsulating combination of DTX and QU in combating prostate cancer (PCa).

}, keywords = {Active targeting, Anticancer, Controlled release, EPR effect, Hydrophobic, Prostate}, issn = {0928-4931}, doi = {10.1016/j.msec.2020.111035}, author = {Shitole, Ajinkya A. and Sharma, Neeti and Giram, Prabhanjan and Khandwekar, Anand and Baruah, Meghna and Garnaik, Baijayantimala and Koratkar, Santosh} } @article {46991, title = {Ligand structure directed dimensionality reduction (2D -> 1D) in lead bromide perovskite}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {JAN}, pages = {1888-1897}, type = {Article}, abstract = {

Low dimensional (2D, 1D) lead halide perovskites are currently attracting huge research interest due to their enabling properties. Demonstrating synthetic control on the dimensionality/ structure of these perovskites is highly challenging. Dimensionality in these perovskites is largely dictated by the nature/structure and composition of the incorporating ligands and the utilized synthetic conditions. Here, we demonstrate chemical composition based control on reduction of dimensionality (2D -\> 1D) for lead bromide perovskite utilizing 2-(2-aminoethyl)isothiourea dihydrobromide as a common precursor ligand (Isothio Bromide). Controlling the hydrothermal reaction parameters (temperature, time) at a fixed precursor ratio affords corner-shared, contorted 2D sheet perovskite and corner-shared, contorted, chiral 1D chain perovskite. Such dimensionality reduction leads to contrasting photophysical properties: 1D chain perovskite shows long-lived and self-trapped broad band emission, whereas 2D perovskite shows short-lived, band edge emission with a long tail. Mechanistic studies and single crystal structure analysis reveal the incorporation of the utilized precursor ligand (Isothio Bromide) in 2D perovskite. Surprisingly, the 1D perovskite is found to be chiral (P2(1) space group) incorporating 2-(2-aminoethyldisulfanyl)ethanamine and ammonium ions as the achiral ligands generated in situ due to hydrothermal cleavage of the precursor (Isothio Bromide) ligand. Such structural and compositional change of the ligands, which manifests a different hydrogen bonding network in the resultant perovskite structure, plays a decisive role in dictating the final molecular formula and dimensionality/structure of the perovskite which largely controls their photophysical properties.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.9b11033}, author = {Bakthavatsalam, Rangarajan and Haris, Muhammed P. U. and Shaikh, Samir R. and Lohar, Amruta and Mohanty, Ashutosh and Moghe, Dhanashree and Sharma, Shivani and Biswas, Chinmoy and Raavi, Sai Santhosh Kumar and Gonnade, Rajesh G. and Kundu, Janardan} } @article {47143, title = {Lignocellulose-derived platform molecules: an introduction}, journal = {Recent Advances in Development of Platform Chemicals}, year = {2020}, month = {JAN}, pages = {1-31}, type = {Book Chapter}, abstract = {

Fossil feedstocks such as crude oil, natural gas, and coal are formed by natural anaerobic decomposition of buried organisms for a period of more than 650\ million years. On the other hand, agrobiomass is quick to grow and becomes a renewable source of chemical and fuel production through processing in a biorefinery.

}, keywords = {Biomass, Biorefinery Cellulose, Lignocellulose Petrofinery, Platform molecules}, doi = {10.1016/B978-0-444-64307-0.00001-9}, author = {Shinde, Suhas H. and Hengne, Amol and Rode, Chandrashekhar V.} } @article {46757, title = {Lipid-dependent conformational landscape of the ErbB2 growth factor receptor dimers}, journal = {Chemistry and Physics of Lipids}, volume = {230}, year = {2020}, month = {AUG}, pages = {104911}, type = {Article}, abstract = {

Altered lipid metabolism has been linked to cancer development and progression. Several roles have been attributed to the increased saturation and length of lipid acyl tails observed in tumors, but its effect on signaling receptors is still emerging. In this work, we have analyzed the lipid dependence of the ErbB2 growth factor receptor dimerization that plays an important role in the pathogenesis of breast cancer. We have performed coarse-grain ensemble molecular dynamics simulations to comprehensively sample the ErbB2 monomer-dimer association. Our results indicate a dynamic dimer state with a complex conformational landscape that is modulated with increasing lipid tail length. We resolve the native N-terminal {\textquoteleft}{\textquoteleft}active{\textquoteright}{\textquoteright} and C-terminal {\textquoteleft}{\textquoteleft}inactive{\textquoteright}{\textquoteright} conformations in all membrane compositions. However, the relative population of the N-terminal and C-terminal conformers is dependent on length of the saturated lipid tails. In short-tail membranes, additional non-specific dimers are observed which are reduced or absent in long-tailed bilayers. Our results indicate that the relative population as well as the structure of the dimer state is modulated by membrane composition. We have correlated these differences to local perturbations of the membrane around the receptor. Our work is an important step in characterizing ErbB dimers in healthy and diseased states and emphasize the importance of sampling lipid dynamics in understanding receptor association.

}, keywords = {ErbB2 dimer, Lipid effects, Martini coarse-grained simulations, Membrane protein structure, Transmembrane association}, issn = {0009-3084}, doi = {10.1016/j.chemphyslip.2020.104911}, author = {Gopal, Srinivasa M. and Pawar, Aiswarya B. and Wassenaar, Tsjerk A. and Sengupta, Durba} } @article {47024, title = {Magnetic and luminescent multifunctional nanohybrid: Fe3O4@CaF2:Tb3+: a facile synthesis and characterization}, journal = {Indian Journal of Pure \& Applied Physics}, volume = {58}, year = {2020}, month = {JAN}, pages = {31-35}, type = {Article}, abstract = {

In the present study, bi-functional hybrid nanomaterial has been synthesized and characterized via facile method and characterized. The synthesized nanomaterial shows both magnetic and luminescent properties which are confirmed by VSM (vibrating sample magnetometer), UV-Vis spectra and the photoluminescence emission spectra. For the magnetic phase, i.e., nanocrystalline magnetite, Fe3O4 is used as the core which is then functionalized using polyethylene glycol (PEG) and for the luminescent phase, polyethylenimine (PEI) functionalized CaF2 doped with Tb3+ is used as the emitter. Wherein, both PEG and PEI serve the dual purpose of functionalization as well as stabilization by steric repulsion. The structure and morphology of the synthesized bifunctional hybrid nanomaterial are studied with the help of scanning electron microscopy (SEM) and X-ray powder diffraction.

}, keywords = {Biocompatible, CaF2, Co-precipitation, Fe3O4, Luminescent nanoparticle, Magnetic nanoparticles, Nanohybrid, Tb3+ doping}, issn = {0019-5596}, author = {Vats, Monika and Kumar, Rakesh and Sharma, Jyotsna and Luwang, Meitram Niraj} } @article {47027, title = {Magnetically separable catalyst for condensation of renewable aldehydes and 2-methylfuran to saturated cyclic oxygenates}, journal = {Fuel Processing Technology}, volume = {197}, year = {2020}, month = {JAN}, pages = {106191}, type = {Article}, abstract = {

The saturated cyclic ethers produced from biomass derived aldehydes and 2-methylfuran are the potential diesel fuel candidates. The synthesis of saturated cyclic ethers is a two step process which involves acid catalyzed condensation of aldehydes with 2-methylfuran and the subsequent selective furan ring hydrogenation of the condensation products. Here, we designed a novel recyclable magnetic solid acid catalyst such as [Fe3O4@SiO2-Pr-Py-H][2HSO(4)(2-)] and employed for the condensation of 2-methylfuran with formaldehyde as model substrates and reaction parameters were optimized. Under the set reaction conditions, condensation of 2-methylfuran with several other aldehydes were also successfully achieved with very good yields. Further, several supported noble metal catalysts were screened in order to find suitable catalyst system for selective furan ring hydrogenation of condensation products. Among those, 5\% Pd/C was found to be very active and selective for furan ring hydrogenation without formation of ring opened products under very low hydrogen pressure at room temperature. Prepared catalysts were thoroughly characterized with sophisticated techniques.

}, keywords = {fuel additives, Hydrogenation, Hydroxyalkylation-alkylation, Magnetic solid acid, Organosilica}, issn = {0378-3820}, doi = {10.1016/j.fuproc.2019.106191}, author = {Tarade, Komal and Shinde, Suhas and Rode, Chandrashekhar} } @article {46993, title = {Manganese-catalyzed alpha-olefination of nitriles with secondary alcohols}, journal = {ACS Catalysis}, volume = {10}, year = {2020}, month = {JAN}, pages = {947-954}, type = {Article}, abstract = {

An expedient catalytic approach for alpha-olefination of nitriles using secondary alcohols with the liberation of molecular hydrogen and water as the only byproducts is reported. This reaction is catalyzed by a molecularly defined manganese(I) pincer complex and operates in the absence of any hydrogen acceptors. A broad range of substrates including cyclic, acyclic, and benzylic alcohols, as well as various nitrile derivatives, such as arylmethyl and heteroarylmethyl nitriles, are employed in the reaction to provide a diverse range of alpha-vinyl nitriles in good to excellent yields. Mechanistic studies showed that the reaction proceeds via dehydrogenative pathway and the activation of alpha(C-H) bond of the alcohol is the rate-determining step.

}, keywords = {acceptorless dehydrogenation, Alcohol, alpha-olefination, Hydrogen, manganese}, issn = {2155-5435}, doi = {10.1021/acscatal.9b02811}, author = {Yadav, Vinita and Landge, Vinod G. and Subaramanian, Murugan and Balaraman, Ekambaram} } @article {46755, title = {Maximization of furanic compounds formation by dehydration and hydrogenation of xylose in one step over SO3-H functionalized H-beta catalyst in alcohol media}, journal = {Biomass \& Bioenergy}, volume = {139}, year = {2020}, month = {AUG}, pages = {105646}, type = {Article}, abstract = {

Furanic compounds such as furfural (FUR); furfuryl alcohol (F. Alc) are important renewable platform chemicals can be used as such or further convert for preparation of other value added products such as Levulinic acid (LA), Alkyl Levulinates, 2-Methyltetrahydrofuran (MTHF), and Tetrahydrofuran (THF) etc. Sulfonated H-beta zeolite was successfully prepared and used for the synthesis of furanic compounds especially FUR and F. Alc from c-xylose in one step using isopropanol as alcohol media. Prepared catalyst was well characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM), BET, NH3-Temperature programmed desorption (TPD) and carbon-hydrogen-nitrogen-sulfur analysis (CHNS). It was found the total acid amount was increased with increase in sulfur loading which confirmed the sulfonic acid group (SO3-H) was successfully grafted onto zeolite structure. 3 wt\% H-beta-SO3-H catalyst with optimized reaction parameters of 150 degrees C, 7 h, 25 wt\% catalyst loading was tuned to get the highest furanic compound yield of 88.5\% (FUR 76.8\% + F.Alc 11.7\%).The reusability study confirmed that there was a marginal drop of similar to 25\% after 3 recycle runs.

}, keywords = {furfural, Furfuryl alcohol, H-beta, isopropanol, sulfonated zeolite, Xylose}, issn = {0961-9534}, doi = {10.1016/j.biombioe.2020.105646}, author = {Gupta, Anshita and Nandanwar, Sachin U. and Niphadkar, Prashant and Simakova, Irina and Bokade, Vijay} } @article {47315, title = {Metagenome sequencing to unveil microbial community composition and prevalence of antibiotic and metal resistance genes in hypersaline and hyperalkaline Lonar Lake, India}, journal = {Ecological Indicators}, volume = {110}, year = {2020}, month = {MAR}, pages = {105827}, type = {Article}, abstract = {

Lonar Lake (India) is a hyperalkaline and hypersaline soda lake encompassing unique microbial composition and functions. This ecosystem has not been explored for taxonomic diversity and functional aspects (with emphasis on antibiotic and metal resistance genes) using whole metagenome sequencing for multiple years. Bacterial diversity analysis during year 2013, 2016, and 2018 depicted differences in the dominance of Proteobacteria, Firmicutes and Bacteroidetes. For archaeal diversity, a similar pattern persisted with higher abundance of Euryarchaeota. Functional metagenome analyses, indicated presence of antibiotic resistance gene (ARG) and metal resistance gene (MRG) profiles in the lake. A wider continuum of resistance genes with dominant ARG types as multidrug resistance efflux pumps and beta-lactams were also observed. The lake resistome demonstrated fluoroquinolone and acriflavine resistance genes indicating sewage water contamination in the lake. The MRGs linked with resistance to toxic metals (arsenic, cobalt, cadmium, copper, and zinc) and cation efflux protein CusA and cobalt-zinc-cadmium resistance protein revealed metal contamination. This study could be a baseline for understanding prevalence of antibiotic and metal resistance mechanisms resulting from various anthropogenic activities nearby lake, and find integrated approaches for conservation of the precious Lonar Lake ecosystem.

}, keywords = {Archaeal diversity, ARGs, Bacterial diversity, Illumina sequencing, Lonar lake, MRGs}, issn = {1470-160X}, doi = {10.1016/j.ecolind.2019.105827}, author = {Chakraborty, Jaya and Sapkale, Vibhavari and Shah, Manan and Rajput, Vinay and Mehetre, Gajanan and Agawane, Sachin and Kamble, Sanjay and Dharne, Mahesh} } @article {46972, title = {Microstructural differences between Viscose and Lyocell revealed by in-situ studies of wet and dry fibers}, journal = {Cellulose}, volume = {27}, year = {2020}, month = {FEB}, pages = {1195-1206}, type = {Article}, abstract = {

Regenerated cellulose fibers manufactured using Lyocell and Viscose processes exhibit differences in their structural response to mechanical deformation. Here, we study the effect of stretching and stress relaxation on the orientation of crystal and amorphous phases. Our results show that on stretching, orientation in both crystal and amorphous phases increases linearly with strain, correlating with the increase in stress and with the stretching of the crystalline unit cell along the c-axis. On holding after stretching to a particular strain, the stress relaxes logarithmically in time, correlating with a decrease in the strain along the c-axis of the crystal unit cell. The stress relaxation is also correlated with a logarithmic increase in amorphous orientation, while crystalline orientation stays constant. We attribute the stress development during stretching to deformation of the crystal unit cell, while crystal reorientation in the fiber direction results in increase in the crystalline orientation parameter. On holding the fiber at a fixed total strain, the stress relaxes as strain is transferred from crystal to amorphous regions. Thus, the strain on the unit cell c-axis decreases and amorphous orientation increases. There are quantitative differences between the rate of increase in amorphous phase orientation during stress relaxation for Lyocell and Viscose fibers. For dry fibers, Lyocell shows a slower increase in orientation during stress relaxation. On wetting the fibers, their structural response changes qualitatively. We combine wide angle x ray diffraction and birefringence experiments with our model to infer that that on stretching the wet fiber, the crystalline phase is neither strained nor oriented. However, orientation develops in the amorphous phase. During stress relaxation in wet condition, Lyocell fibers shows a faster increase in amorphous orientation than Viscose fibers, in line with the comparison of relaxation time spectra for wet Viscose and Lyocell fibers. Graphic abstract

}, keywords = {birefringence, Crystal-amorphous orientation, In-situ WAXD, Regenerated cellulose}, issn = {0969-0239}, doi = {10.1007/s10570-019-02863-6}, author = {Sharma, Aakash and Thakre, Shirish and Kumaraswamy, Guruswamy} } @article {46732, title = {Mizoroki-Heck reaction of 1,2-disubstituted aryl alkenes: variables of synthesis, solvent and ligand modulation of reactivity}, journal = {Synthetic Communications}, volume = {50}, year = {2020}, month = {DEC }, pages = {3796-3803}, type = {Article}, abstract = {

Reaction of aryl iodides with 1,2-disubstituted aryl alkenes in the presence of TBABr/TBACl gave high yields of the Mizoroki-Heck product. Phosphine ligands were used for the modulation of reactivity and stereoselectivity, for the reaction of 4-iodoanisole with cinnamaldehyde. tert-Bu3P.HBF(4)gave the highest E:Z ratio of 1:0.08. The use of PEG-200 and PEG-400 as solvent could activate the reaction of aryl iodides with various 1,2-disubstituetd aryl alkenes.

}, keywords = {12-Disubstituted aryl alkenes, 400, ligand effect, Mizoroki-Heck reaction, PEG 200, TBABr}, issn = {0039-7911}, doi = {10.1080/00397911.2020.1811986, Early Access Date = AUG 2020}, author = {Bangar, Pronnoy G. and Jawalkar, Priyanka R. and Dumbre, Swapnil R. and Raut, Pallavi K. and Patil, Dharmaraj J. and Tv, Neethu and Sudhakaran, Shana and Iyer, Suresh} } @inbook {47149, title = {Molecular determinants of GPCR oligomerization}, booktitle = {Molecular determinants of GPCR oligomerization}, number = {GPCRs}, year = {2020}, pages = {97-108}, doi = {10.1016/B978-0-12-816228-6.00006-4}, author = {Mohole, Madhura and Kumar, G. Aditya and Sengupta, Durba and Chattopadhyay, Amitabha} } @article {46922, title = {Molecular networking and whole-genome analysis aid discovery of an angucycline that inactivates mTORC1/C2 and induces programmed cell death}, journal = {ACS Chemical Biology}, volume = {15}, year = {2020}, month = {MAR}, pages = {780-788}, type = {Article}, abstract = {

Rediscovery of known compounds and time consumed in identification, especially high molecular weight compounds with complex structure, have let down interest in drug discovery. In this study, whole-genome analysis of microbe and Global Natural Products Social (GNPS) molecular networking helped in initial understanding of possible compounds produced by the microbe. Genome data revealed 10 biosythethic gene clusters that encode for secondary metabolites with anticancer potential. NMR analysis of the pure compound revealed the presence of a four-ringed benz[a]anthracene, thus confirming angucycline; molecular networking further confirmed production of this class of compounds. The type II polyketide synthase gene identified in the microbial genome was matched with the urdamycin duster by BLAST analysis. This information led to ease in identification of urdamycin E and a novel natural derivative, urdamycin V, purified from Streptomyces sp. OA293. Urdamycin E (Urd E) induced apoptosis and autophagy in cancer cell lines. Urd E exerted anticancer action through inactivation of the mTOR complex by preventing phosphorylation at Ser 2448 and Ser 2481 of mTORC1 and mTORC2, respectively. Significant reduction in phosphorylation of the major downstream regulators of both mTORC1 (p70s6k and 4e-bp1) and mTORC2 (Akt) were observed, thus further confirming complete inhibition of the mTOR pathway. Urd E presents itself as a novel mTOR inhibitor that employs a novel mechanism in mTOR pathway inhibition.

}, issn = {1554-8929}, doi = {10.1021/acschembio.0c00026}, author = {Dan, Vipin Mohan and Vinodh, J. S. and Sandesh, C. J. and Sanawar, Rahul and Lekshmi, Asha and Kumar, R. Ajay and Kumar, T. R. Santhosh and Marelli, Uday Kiran and Dastager, Syed G. and Pillai, M. Radhakrishna} } @article {46868, title = {Naftopidil molecular salts with improved dissolution and permeation}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {MAY }, pages = {3064-3076}, type = {Article}, abstract = {

Naftopidil (NFPD) is a alpha 1 adrenoceptor antagonist drug. Low solubility and low permeability are the major drawbacks of this drug. The synthesis of multicomponent crystalline forms of this amine functional group drug with carboxylic acid coformers, both achiral and chiral acids, provides a solution to improve its solubility as well as permeability. Nine molecular salts were crystallized by liquid-assisted grinding followed by isothermal crystallization. Single-crystal X-ray diffraction analysis of the molecular salts showed that the structures are stabilized by strong N-H center dot center dot center dot O and O-H center dot center dot center dot O and weak C-H center dot center dot center dot O hydrogen bonds in the solid state. The bulk phase purity of new solid forms was confirmed by powder X-ray diffraction (PXRD), and the crystalline products were further characterized by IR spectroscopy and thermal analytical techniques (differential scanning calorimetry). The molecular salts exhibit superior dissolution rates compared to pure NFPD. However, during dissolution, NFPD showed decrease in concentration after 60 min for all salts due to precipitation. The supersaturation occurred due to salt disproportionation, which generates insoluble NFPD, as confirmed by PXRD of the residue. The salts reach high saturation concentration before 60 min, which is indicative of immediate release formulation to achieve fast onset of therapeutic activity. Moreover, the salts exhibit high saturation in phosphate buffer saline media and improved permeability compared to the pure drug. Finally, the D,L-malic acid racemate of NFPD shows enhanced dissolution and permeability compared to all other salts and pure NFPD.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b01689}, author = {Mannava, M. K. Chaitanya and Dandela, Rambabu and Tothadi, Srinu and Solomon, K. Anand and Nangia, Ashwini K.} } @article {46789, title = {Nanocellulose reinforced flexible composite nanogenerators with enhanced vibrational energy harvesting and sensing properties}, volume = {2}, year = {2020}, month = {JUL}, pages = {2550-2562}, type = {Article}, abstract = {

We report here enhanced vibration and pressure sensing properties of nanocellulose reinforced flexible composite piezoelectric nanogenerators (PENGs). Surface fluorinated nanocellulose crystals (FNC) were incorporated into poly(vinylidene fluoride) (PVDF) and electrospun into composite nanofibers. Incorporation of only 2 wt \% FNC in PVDF resulted in a significant enhancement in pressure sensitivity with a very low detectable pressure limit of 10 Pa and a sensitivity of up to 18 mV/kPa. The composite PENGs also demonstrated very high sensitivity for forced continuous vibrations. 2FNC/PVDF composites resulted in an order of magnitude higher voltage response over neat PVDF for a given strain. When PENGs were mounted on a vacuum pump for transduction of mechanical vibrations into electrical energy, 2FNC/PVDF composite devices manifested similar to 3.8 times enhanced voltage output over neat PVDF and faster charging of a capacitor. The enhanced piezoelectric properties of PVDF/FNC nanocomposites could be attributed to the tailored interface between PVDF and nanocellulose and enhanced polarizability.

}, keywords = {Composite, Nanofiber, piezoelectric, pressure, Sensor, vibration}, issn = {2637-6105}, doi = {10.1021/acsapm.0c00158}, author = {Ram, Farsa and Gudadhe, Aniket and Vijayakanth, Thangavel and Aherrao, Swapnil and Borkar, Vivek and Boomishankar, Ramamoorthy and Shanmuganathan, Kadhiravan} } @article {46655, title = {Nanocomposite of functional silver metal containing curcumin biomolecule model systems: Protein BSA bioavailability}, journal = {Journal of Inorganic Biochemistry}, volume = {212}, year = {2020}, month = {NOV}, pages = {111210}, type = {Article}, abstract = {

Curcumin, a constituent of Curcuma longa L-Zingiberaceae is used in traditional Indian and worldwide medicine and shows anticancer and antioxidant properties. Curcumin has numerous biological and pharmacological ac-tivities but due to its hydrophobic nature, the major drawback is poor absorption and rapid elimination, rendering curcumin with the tag of a poor biomaterial. Hence, there is a need to develop functional metal containing curcumin model systems (FMCCMS) as a metallo-biomolecule to enhance the bioavailability of curcumin. We designed the interaction of silver metal ion with curcumin to form curcumin-silver nanocomposite (CURC-AgNCP) via ultrasonic synthetic route. Formations of FMCCMS were characterized by spectroscopic techniques. The crystalline face-centered cubic pattern and particle size of the nanocomposite was evaluated using X-ray diffraction and high-resolution transmission electron microscopy. The bonding of silver metal to curcumin was confirmed by X-ray photon spectroscopy. Interaction of the nanocomposite with bovine serum albumin (BSA) protein was performed using excitation, emission, and circular dichroism spectroscopy. In binding interaction of BSA, the negative value of Delta S degrees (-358.04 J mol(-1) K-1) and Delta H degrees (-129.42 KJ mol(-1)) demonstrates the hydrophilic nature of the nanocomposite. The binding distance r evaluated according to the Forster resonance energy transfer theory and was 4.69 nm for CURC-AgNCP, which suggested non-radiative transfer of energy between CURC-AgNCP and BSA. The role of FMCCMS metallo-biomolecule CURC-AgNCP in medicine for cancer activity can have immense importance and hence we performed Sulphorhodamine B based in-vitro cytotoxicity assay on human breast cancer Michigan Cancer Foundation-7 cell line.

}, keywords = {Ag-based CURC biomaterials, Breast cancer, Metal in medicine, Metallobiomolecules, Nanocomposite}, issn = {0162-0134}, doi = {10.1016/j.jinorgbio.2020.111210}, author = {Shedge, Amol A. and Pansare, Shubham V. and Khairkar, Shyam R. and Chhatre, Shraddha Y. and Chakrabarti, S. and Nagarkar, Amit A. and Pansare, Amol V. and Patil, Vishwanath R.} } @article {46802, title = {Nanocrystalline Ag3PO4 for sunlight- and ambient air-driven oxidation of amines: high photocatalytic efficiency and a facile catalyst regeneration strategy}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {JUL}, pages = {29324-29334}, type = {Article}, abstract = {

Selective oxidation of amines to imines using sunlight as clean and renewable energy source is an important but challenging chemical transformation because of high reactivity of the generated imines and lack of visible light-responsive materials with high conversion rates. In addition, oxygen gas has to be purged in the reaction mixture in order to increase the reaction efficiency which, in itself, is an energy-consuming process. Herein, we report, for the first time, the use of Ag3PO4 as an excellent photocatalyst for the oxidative coupling of benzyl amines induced by ambient air in the absence of any external source of molecular oxygen at room temperature. The conversion efficiency for the selective oxidation of benzyl amine was found to be greater than 95\% with a selectivity of \>99\% after 40 min of light irradiation indicating an exceptionally high conversion efficiency with a rate constant of 0.002 min(-1), a turnover frequency of 57 h(-1), and a quantum yield of 19\%, considering all of the absorbed photons. Ag3PO4, however, is known for its poor photostability owing to a positive conduction band position and a favorable reduction potential to metallic silver. Therefore, we further employed a simple catalyst regeneration strategy and showed that the catalyst can be recycled with negligible loss of activity and selectivity.

}, keywords = {amine oxidation, energy harvesting, nanocrystalline Ag3PO4, Photocatalysis, regeneration strategy}, issn = {1944-8244}, doi = {10.1021/acsami.0c05961}, author = {Garg, Reeya and Mondal, Sanjit and Sahoo, Lipipuspa and Vinod, C. P. and Gautam, Ujjal K.} } @article {46915, title = {Nanoporous reduced graphene oxide and polymer composites as efficient counter electrodes in dye-sensitized solar cells}, journal = {ACS Applied Electronic Materials}, volume = {2}, year = {2020}, month = {MAR}, pages = {626-634}, type = {Article}, abstract = {

The introduction of an efficient and precious platinum (Pt) free counter electrode (CE) for dye-sensitized solar cells (DSSCs) is an important aspect to address. In this report, we have employed nanoporous reduced graphene oxide (PG) containing PEDOT:PSS-PG composite on FTO substrate as CEs, which have shown excellent diffusion of I-3(-), remarkable photocatalytic activity, and better device performance along with desired stability. The investigated cathode material has been prepared by mixing PGs and highly conducting PEDOT:PSS. Experimental measurements and analyses such as electrochemical impedance spectroscopy (EIS), cyclic voltammetry (CV), and so on indicate that PEDOT:PSS-PG is a promising cathode material for a Pt-free CE in DSSCs. EIS indicates that the PEDOT:PSS-PGs have lower interfacial charge-transfer resistance because of their high electrical conductivity and superior electrocatalytic activity. The achieved photoconversion efficiency (eta) of a DSSC employing the Pt-free PEDOT:PSS-PG/FTO CE is 9.57\%, which is found to be comparable to that of Pt/FTO CE based DSSC (9.64\%) under a simulated solar light illumination of 100 mW/cm(2).

}, keywords = {counter electrode, Dye-sensitized solar cells, electrocatalytic activity, PEDOT:PSS, Reduced graphene oxide}, issn = {2637-6113}, doi = {10.1021/acsaelm.9b00593}, author = {Sudhakar, Vediappan and Singh, Anup Kumar and Chini, Mrinmoy Kumar} } @article {46784, title = {Nanoscale interplay of membrane composition and amyloid self-assembly}, journal = {Journal of Physical Chemistry B}, volume = {124}, year = {2020}, month = {JUL}, pages = {5837-5846}, type = {Article}, abstract = {

Cell membranes are complex assemblies of lipids and proteins exhibiting lipid compositional heterogeneity between the inner and outer leaflets of the bilayer. Aberrant protein aggregation, implicated in a number of neurodegenerative diseases including Alzheimer{\textquoteright}s, is known to result in both extracellular and intracellular deposits with divergent pathophysiological effects. Mounting evidence substantiates membrane-mediated amyloid effects and indicates membrane composition, particularly gangliosides, as a plausible factor influencing the fibrillation process. By employing exhaustive molecular dynamics simulations using a coarse-grained model, we probed the assembly behavior of amyloidogenic A beta(12-28) peptides on the chemically heterogeneous extracellular (outer) and cytosolic (inner) leaflets of a mammalian plasma membrane. Our results indicate that the compositional nature of the membrane has a crucial impact on the peptide self-assembly. Peptide oligomerization is hindered on the outer leaflet relative to the inner leaflet due to a competition between interpeptide and peptide-membrane interactions, resulting in higher population of smaller oligomers. The weaker associations among peptides on the outer membrane can be attributed to the favorable interactions of the peptides with gangliosides (GM) that characterize the extracellular membrane. At a higher peptide:GM ratio, we observe enhanced nanoclustering of GM lipids mediated by preferential GM-A beta binding. Interaction between peptide and GM further impacts local membrane curvature; there is a concomitant loss in membrane concavity due to looser GM packing. Our simulations provide molecular insights into the role of membrane composition on A beta aggregation and lend credence to earlier reports of ganglioside-mediated A beta aggregation in the outer membrane. We also demonstrate the effects of local peptide assemblies on the membrane structure and dynamics.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c03796}, author = {Menon, Sneha and Sengupta, Neelanjana and Das, Payel} } @article {46600, title = {Negative ion resonance states: the fock-space coupled-cluster way}, journal = {Journal of Physical Chemistry A}, volume = {124}, year = {2020}, month = {DEC}, pages = {10407-10421}, type = {Article}, abstract = {

The negative ion resonance states, which are electron-molecule metastable compound states, play the most important role in free-electron controlled molecular reactions and low-energy free-electron-induced DNA damage. Their electronic structure is often only poorly described but crucial to an understanding of their reaction dynamics. One of the most important challenges to current electronic structure theory is the computation of negative ion resonance states. As a major step forward, coupled-cluster theories, which are well-known for their ability to produce the best approximate bound state electronic eigen solutions, are upgraded to offer the most accurate and effective approximations for negative ion resonance states. The existing Fock-space coupled-cluster (FSCC) and the equation-of-motion coupled-cluster (EOM-CC) approaches that compute bound states are redesigned for the direct and simultaneous determination of both the kinetic energy of the free electron at which the electron-molecule compound states are resonantly formed and the corresponding autodetachment decay rate of the electron from the metastable compound state. This Feature Article reviews the computation of negative ion resonances using the FSCC approach and, in passing, provides the highlights of the equivalent EOM-CC approach.

}, issn = {1089-5639}, doi = {10.1021/acs.jpca.0c09148}, author = {Basumallick, Suhita and Sajeev, Y. and Pal, Sourav and Vaval, Nayana} } @article {46803, title = {New TBAF complex, highly stable, facile and selective source for nucleophilic fluorination: applications in batch and flow chemistry}, journal = {Asian Journal of Organic Chemistry}, volume = {9}, year = {2020}, month = {JUL}, pages = {1022-1026}, type = {Article}, abstract = {

Natural polysaccharides supported tetrabutylammonium fluoride (TBAF) complexes are prepared and found to be highly stable and selective fluoride source for well-renowned nucleophilic (SN2 type) fluorination reactions for the first time. Bacterial cellulose, plant cellulose, pectin, and starch derived TBAF complexes are synthesized, characterized (using SEM, TEM, and NMR techniques) and studied for their stability and reactivity. Heterogeneous bacterial cellulose-TBAF complex (NBu4(Bac-cell-OH)F) 1 was found to be highly stable and non-hygroscopic among all complexes, which gave high yields of fluorinated products in multi-gram scale in shorter reaction time. The primarily developed batch protocol was extended to solid-solid continuous flow reaction using an in-house built screw reactor, which furnished products in a few seconds of residence time (tR=20-25 sec) and excellent yields.

}, keywords = {Flow synthesis, fluorination, green chemistry, Sustainable Chemistry}, issn = {2193-5807}, doi = {10.1002/ajoc.202000235}, author = {Said, Madhukar S. and Khonde, Nilesh S. and Thorat, Meghana N. and Atapalkar, Ranjit S. and Kulkarni, Amol A. and Gajbhiye, Jayant and Dastager, Syed G.} } @article {46903, title = {NiFe layered double hydroxide-decorated N-doped entangled-graphene framework: a robust water oxidation electrocatalyst}, journal = {Nanoscale Advances}, volume = {2}, year = {2020}, month = {APR }, pages = {1709-1717}, type = {Article}, abstract = {

Three dimensional (3D) porous carbon materials are highly desirable for electrochemical applications owing to their high surface area and porosity. Uniformly distributed porosity in the 3D architecture of carbon support materials allows reactant molecules to access more electrochemically active centres and simultaneously facilitate removal of the product formed during electrochemical reactions. Herein, we have prepared a nitrogen-doped entangled graphene framework (NEGF), decorated with NiFe-LDH nanostructures by an in situ solvothermal method followed by freeze-drying at high vacuum pressure and low temperature. The freeze-drying method helped to prevent the restacking of the graphene sheets and the formation of a high surface area nitrogen-doped entangled graphene framework (NEGF) supported NiFe-LDHs. The incorporation of the NEGF has significantly reduced the overpotential for the electrochemical oxygen evolution reaction (OER) in 1 M KOH solution. This corresponds to an overpotential reduction from 340 mV for NiFe-LDHs to 290 mV for NiFe-LDH/NEGF to reach the benchmark current density of 10 mA cm(-2). The preparation of the catalyst is conceived through a low-temperature scalable process.

}, issn = {2516-0230}, doi = {10.1039/c9na00808j}, author = {Manna, Narugopal and Ayasha, Nadeema and Singh, Santosh K. and Kurungot, Sreekumar} } @article {46894, title = {Novel cilengitide-based cyclic RGD peptides as alpha nu beta(3) integrin inhibitors}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {30}, year = {2020}, month = {APR}, pages = {127039}, type = {Article}, abstract = {

In this letter, we report a series of five new RGD-containing cyclic peptides as potent inhibitors to alpha nu beta(3) integrin protein. We have incorporated various unnatural lipophilic amino acids into the cyclic RGD framework of cilengitide, which is selective for alpha nu beta(3) integrin. All the newly synthesized cyclic peptides were evaluated in vitro solid phase binding assay and investigated for their binding behaviour towards integrin subtypes. All the cyclic peptides were synthesized in excellent yield following solution-phase coupling strategy. The cyclic RGD peptides 1a-e exhibited IC50 of 9.9, 5.5, 72, 11 and 3.3 nM, respectively, towards a alpha nu beta(3) integrin protein. This finding offers further opportunities for the introduction unusual amino acids into the cyclic peptide framework of cilengitide.

}, keywords = {Anticancer drugs, Cilengitide, Integrins, RGD cyclicpeptides}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2020.127039}, author = {Meena, Chhuttan L. and Singh, Dharmendra and Weinmueller, Michael and Reichart, Florian and Dangi, Abha and Marelli, Udaya Kiran and Zahler, Stefan and Sanjayan, Gangadhar J.} } @article {46709, title = {Novel flow reactor for handling suspensions: hydrodynamics and performance evaluation}, journal = {Industrial \& Engineering Chemistry Research}, volume = {59}, year = {2020}, month = {SEP }, pages = {16462-16472}, type = {Article}, abstract = {

A novel reactor concept that can handle solid particles without any moving components in the reactor is proposed and demonstrated in this work. The proposed reactor is designed by arranging the unique shape cavities in a sequence where inlet and outlets are positioned off-center to each other at specific angles and distance. Detailed flow simulation suggested that cavities with diameter D, having aspect ratio H/D similar to 1.53, outlet (having a diameter of 0.2D) positioned at 0.3D from the center and at 180 degrees with reference to the inlet is suitable for the expected performance. The proposed geometry of the reactor with the optimal geometrical configuration was fabricated and hydrodynamics (viz. pressure drop, mass transfer, and heat transfer, and residence time distribution) were studied. The reactor also offered high mass transfer coefficients and is useful for liquid-liquid reactions and extraction. A variety of solid suspensions (glass particles, activated carbon, starch particles, magnesium hydroxide) were tested over a wide range of flow rates for checking the solid handling capability of the reactor. The neutralization reaction of NaOH (with dissolved a-naphthol) with concentrated HCl that results in almost instantaneous precipitation of a-naphthol from the solution is used as a test reaction for a range of a-naphthol concentrations to change the suspension loading. It is shown that the proposed reactor can handle up to 22\% (w/v) solid concentration without any clogging for a longer duration of the operation. However, for sticky solid particles, the same reactor would get clogged at the outlet ports for smaller diameters.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.9b06864}, author = {Sharma, Mrityunjay K. and Suru, Aditya and Joshi, Anuj and Kulkarni, Amol A.} } @article {46958, title = {Organocatalytic cascade knoevenagel-michael addition reactions: direct synthesis of polysubstituted 2-amino-4H-chromene derivatives}, journal = {Catalysis Letters}, volume = {150}, year = {2020}, month = {AUG}, pages = {2331-2351}, type = {Article}, abstract = {

In this report, we documented novel strategy for the synthesis of bioactive polysubstituted 2-amino-4H-chromine derivatives under a heterogeneous Al-MCM-41-LDH@APTES (ALAM) catalysis. A synthetic procedure is developed to prepare Al-MCM-41-LDH@APTES (ALAM) heterogeneous basic catalysts. Mesoporous Al-MCM-41 is functionalized by known grafting chemistry via layered double hydroxide (LDH) nanosheets and (3-aminopropyl)triethoxysilane (APTES) moiety as a basic organocatalyst. The resulting catalysts contain amino group functionality on the external surface as well as inside the layers and the basicity can be tuned by the loading of APTES. The samples were fully characterized by Si-29 and C-13 CP/MAS NMR, infrared absorption spectroscopy, TEM, XPS, EDX, TGA, XRD, CO2-TPD, N-2 adsorption isotherms measurements, and they were successfully examined for the cascade type Knoevenagel-Michael addition reactions. The product yields associated with these substrates were optimized, and key reaction parameters affecting the yields were identified. The present catalytic method is simple and robust for diversity oriented synthesis which proceeds good to excellent yields without generating any hazards waste. The broad substrate scope, excellent functional group compatibility makes this protocol highly useful towards synthesis of polysubstituted alpha-cyanoacrylates, alpha-cyanoacrylonitriles and 2-amino-4H-chromenes with an electron-donating or electron-withdrawing group. We have also successfully established a flow reaction system, gram-scale synthesis as well as catalyst recyclability up to six catalytic cycles without appreciable loss of its activity. Graphic

}, keywords = {2-Amino-4H-chromines, Amine functionalized solid catalysts, cascade synthesis, Diversity oriented syntheses (DOS), flow chemistry}, issn = {1011-372X}, doi = {10.1007/s10562-019-03089-8, Early Access Date = FEB 2020}, author = {Jadhav, Sanjay N. and Patil, Seema P. and Sahoo, Dipti Prava and Rath, Dharitri and Parida, Kulamani and Rode, Chandrashekhar V.} } @inbook {47308, title = {Organocatalyzed α-aminooxylation/amination of aldehydes and their sequential reactions: a versatile tool for the synthesis of bioactive molecules}, booktitle = {Bioactive Natural Products}, volume = {64}, year = {2020}, pages = {417-465}, publisher = {Elsevier B.V.}, organization = {Elsevier B.V.}, abstract = {

This chapter introduces the sequential reactions of proline catalyzed α-aminooxylation and α-amination of aldehydes and its broad applications in the synthesis of bioactive molecules. It starts by presenting an overview of organocatalysis, particularly proline and its catalytic behavior. It then explains the proline catalyzed α-aminooxylation reaction and its sequential reactions one by one along with its applications in the synthesis of natural products. Next, it describes the\ l- and\ d-proline catalyzed α-amination and its sequential reactions. A full description of the synthetic scheme of natural products is provided.

}, doi = {10.1016/B978-0-12-817903-1.00014-0}, author = {Ahuja, Brij Bhushan and Sudalai, Arumugum} } @article {46610, title = {P2O5-mediated Friedel-Crafts acylation of activated arenes with carboxylic acid as acylating agent}, journal = {Indian Journal of Chemistry Section B-Organic Chemistry Including Medicinal Chemistry}, volume = {59}, year = {2020}, month = {DEC}, pages = {1861-1867}, type = {Article}, abstract = {

P2O5 has been found to be a highly efficient and environmental friendly catalyst for the liquid-phase acylation of activated aromatic substrates giving aromatic ketones (45-93\%) in a regioselective manner. Both aromatic and aliphatic carboxylic acids can be employed as acylating source. The process is particularly demonstrated at 100 g scale in the case of anisole and acetic acid to produce 4-methoxyacetophenone.

}, keywords = {4-methoxyacetophenone, Carboxylic acid, Friedel-Crafts acylations, phosphorus pentoxide}, issn = {0376-4699}, author = {Kalshetti, Rupali G. and Mandle, Ram D. and Kamble, Sanjay P. and Sudalai, Arumugam} } @article {47016, title = {P301 L, an FTDP-17 mutant, exhibits enhanced glycation in vitro}, journal = {Journal of Alzheimers Disease}, volume = {75}, year = {2020}, month = {JAN}, pages = {61-71}, type = {Article}, abstract = {

Background: Frontotemporal dementia and parkinsonism-linked to chromosome-17 are a group of diseases with tau mutations leading to primary tauopathies which include progressive supranuclear palsy, corticobas al syndrome, and frontotemporal lobar degeneration. Alzheimer{\textquoteright}s disease is a non-primary tauopathy, which displays tau neuropathology of excess tangle formation and accumulation. FTDP-17 mutations are responsible for early onset of AD, which can be attributed to compromised physiological functions due to the mutations. Tau is a microtubule-binding protein that secures the integrity of polymerized microtubules in neuronal cells. It malfunctions owing to various insults and stress conditions-like mutations and post-translational modifications. Objective: In this study, we modified the wild type and tau mutants by methyl glyoxal and thus studied whether glycation can enhance the aggregation of predisposed mutant tau. Methods: Tau glycation was studied by fluorescence assays, SDS-PAGE analysis, conformational evaluation, and transmission electron microscopy. Results: Our study suggests that FTDP-17 mutant P301 L leads to enhanced glycation-induced aggregation as well as advanced glycation end products formation. Glycation forms amorphous aggregates of tau and its mutants without altering its native conformation. Conclusion: The metabolic anomalies and genetic predisposition have found to accelerate tau-mediated neurodegeneration and prove detrimental for the early-onset of Alzheimer{\textquoteright}s disease.

}, keywords = {advanced glycation end products, Alzheimer{\textquoteright}s disease, FTDP-17, tau glycation}, issn = {1387-2877}, doi = {10.3233/JAD-191348}, author = {Sonawane, Shweta Kishor and Chinnathambi, Subashchandrabose} } @article {46936, title = {Palladium-catalyzed oxidative annulation of pyrrolylalkyl-1H-azoles: towards the synthesis of polyheterocyclic arenes}, journal = {Synthesis-Stuttgart}, volume = {52}, year = {2020}, month = {MAR }, pages = {719-726}, type = {Article}, abstract = {

A highly efficient and regioselective palladium-catalyzed annulation protocol for a series of linear and terminally substituted 1,2- and 1,3-di(heteroaryl)alkanes to the corresponding polyheterocyclic arenes is reported. Herein, intramolecular oxidative coupling involving double C(sp(2))-H bond functionalization provides a feasible access to biheteroaryl systems annulated to a six-membered ring. The methodology is not restricted to six-membered annulations and was extended to the synthesis of compounds with a seven-membered ring and biheteroaryl core.

}, keywords = {C-H functionalization, imidazoles, oxidative coupling, Palladium, pyrroles}, issn = {0039-7881}, doi = {10.1055/s-0039-1691492}, author = {Tripathi, Krishna N. and Bansode, Avinash H. and Singh, Ravi P.} } @article {46616, title = {Penicillium janthinellum NCIM1366 shows improved biomass hydrolysis and a larger number of CAZymes with higher induction levels over Trichoderma reesei RUT-C30}, journal = {Biotechnology for Biofuels}, volume = {13}, year = {2020}, month = {DEC }, pages = {196}, type = {Article}, abstract = {

Background Major cost of bioethanol is attributed to enzymes employed in biomass hydrolysis. Biomass hydrolyzing enzymes are predominantly produced from the hyper-cellulolytic mutant filamentous fungus Trichoderma reesei RUT-C30. Several decades of research have failed to provide an industrial grade organism other than T. reesei, capable of producing higher titers of an effective synergistic biomass hydrolyzing enzyme cocktail. Penicillium janthinellum NCIM1366 was reported as a cellulase hyper producer and a potential alternative to T. reesei, but a comparison of their hydrolytic performance was seldom attempted. Results Hydrolysis of acid or alkali-pretreated rice straw using cellulase enzyme preparations from P. janthinellum and T. reesei indicated 37 and 43\% higher glucose release, respectively, with P. janthinellum enzymes. A comparison of these fungi with respect to their secreted enzymes indicated that the crude enzyme preparation from P. janthinellum showed 28\% higher overall cellulase activity. It also had an exceptional tenfold higher beta-glucosidase activity compared to that of T. reesei, leading to a lower cellobiose accumulation and thus alleviating the feedback inhibition. P. janthinellum secreted more number of proteins to the extracellular medium whose total concentration was 1.8-fold higher than T. reesei. Secretome analyses of the two fungi revealed higher number of CAZymes and a higher relative abundance of cellulases upon cellulose induction in the fungus. Conclusions The results revealed the ability of P. janthinellum for efficient biomass degradation through hyper cellulase production, and it outperformed the established industrial cellulase producer T. reesei in the hydrolysis experiments. A higher level of induction, larger number of secreted CAZymes and a high relative proportion of BGL to cellulases indicate the possible reasons for its performance advantage in biomass hydrolysis.

}, keywords = {Bioethanol, CAZymes, Cellulase, Penicillium janthinellum, Secretome, Trichoderma reesei}, doi = {10.1186/s13068-020-01830-9}, author = {Sreeja-Raju, Athiraraj and Christopher, Meera and Kooloth-Valappil, Prajeesh and Kuni-Parambil, Rajasree and Gokhale, Digambar Vittal and Sankar, Meena and Abraham, Amith and Pandey, Ashok and Sukumaran, Rajeev K.} } @article {46702, title = {Photocatalytic hydrogen generation and CO2 conversion using g-C3N4 decorated dendritic fibrous nanosilica: role of interfaces between silica and g-C3N4}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {SEP }, pages = {8150-8158}, type = {Article}, abstract = {

We have synthesized g-C3N4 decorated over dendritic fibrous nanosilica (DFNS). The generation of C-N-Si interfaces by coating each fiber of DFNS with g-C3N4 not only provided high surface area but also affected the optical and electronic properties of the composite. The catalyst synthesis reproducibility issue of g-C3N4 was resolved using a vacuum-sealed quartz tube. The extended light absorption in the visible region, enhanced lifetime of photogenerated charge carriers due to the formation of interfaces between silica and g-C3N4 (confirmed by solid-state NMR), and increased surface area result in the improved photocatalytic activity of DFNS/g-C(3)N(4)for hydrogen generation and CO2 conversion.

}, keywords = {CO2 conversion, DFNS, g-C3N4, Hydrogen generation, nanocatalysts, photocatalysts, Solid-state NMR}, issn = {2574-0962}, doi = {10.1021/acsaem.0c01265}, author = {Rawool, Sushma A. and Samanta, Anupam and Ajithkumar, T. G. and Kar, Yusuf and Polshettiwar, Vivek} } @article {46769, title = {Photoresponse properties of CdSe thin film photodetector}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {31}, year = {2020}, month = {SEP}, pages = {15061-15069}, type = {Article}, abstract = {

In the present investigation, the performance of highly sensitive photodetector based on CdSe thin film has been demonstrated. The cadmium selenide (CdSe) films were deposited successfully by spray pyrolysis method on glass substrate. The as-deposited films were used as visible light detector. Further, the structural, morphological, and optical properties of CdSe films were investigated through X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy, and optical absorption spectrophotometer. The XRD studies show that the produced samples are polycrystalline in nature. A UV-Visible absorbance spectrum indicates direct allowed transition with bandgap about 1.75 eV. The SEM micrographs depict uniformly distributed well defined uneven hexagonal grains. The CdSe film-based photodetector exhibits high responsivity, detectivity and shows an ultrafast photoresponse. The excellent photoresponse and high photosensitivity of CdSe film makes it a strong candidate for high-performance photodetectors.

}, issn = {0957-4522}, doi = {10.1007/s10854-020-04069-0, Early Access Date = JUL 2020}, author = {Shelke, Nitin T. and Karle, S. C. and Karche, B. R.} } @article {46893, title = {Piezoelectric energy harvesting from a ferroelectric hybrid salt [Ph3MeP](4)[Ni(NCS)(6)] embedded in a polymer matrix}, journal = {Angewandte Chemie-International Edition}, volume = {59}, year = {2020}, month = {JUN }, pages = {10368-10373}, type = {Article}, abstract = {

Organic-inorganic hybrid ferroelectrics are an exciting class of molecular materials with promising applications in the area of energy and electronics. The synthesis, ferroelectric and piezoelectric energy harvesting behavior of a 3d metal ion-containing A(4)BX(6) type organic-inorganic hybrid salt [Ph3MeP](4)[Ni(NCS)(6)] (1) is now presented. P-E hysteresis loop studies on 1 show a remnant ferroelectric polarization value of 18.71 mu C cm(-2), at room temperature. Composite thermoplastic polyurethane (TPU) devices with 5, 10, 15 and 20 wt \% compositions of 1 were prepared and employed for piezoelectric energy harvesting studies. A maximum output voltage of 19.29 V and a calculated power density value of 2.51 mW cm(-3) were observed for the 15 wt \% 1-TPU device. The capacitor charging experiments on the 15 wt \% 1-TPU composite device shows an excellent energy storage performance with the highest stored energies and measured charges of 198.8 mu J and 600 mu C, respectively.

}, keywords = {energy conversion, mechanical properties, non-covalent interactions, organic-inorganic hybrid composites, Phosphorus}, issn = {1433-7851}, doi = {10.1002/anie.202001250, Early Access Date = APR 2020}, author = {Vijayakanth, Thangavel and Ram, Farsa and Praveenkumar, Balu and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {46955, title = {Plausible diagnostic value of urinary isomeric dimethylarginine ratio for diabetic nephropathy}, journal = {Scientific Reports}, volume = {10}, year = {2020}, month = {FEB}, pages = {2970}, type = {Article}, abstract = {

Altered circulatory asymmetric and symmetric dimethylarginines have been independently reported in patients with end-stage renal failure suggesting their potential role as mediators and early biomarkers of nephropathy. These alterations can also be reflected in urine. Herein, we aimed to evaluate urinary asymmetric to symmetric dimethylarginine ratio (ASR) for early prediction of diabetic nephropathy (DN). In this cross-sectional study, individuals with impaired glucose tolerance (IGT), newly diagnosed diabetes (NDD), diabetic microalbuminuria (MIC), macroalbuminuria (MAC), and normal glucose tolerance (NGT) were recruited from Dr. Mohans{\textquoteright} Diabetes Specialties centre, India. Urinary ASR was measured using a validated high-throughput MALDI-MS/MS method. Significantly lower ASR was observed in MIC (0.909) and MAC (0.741) in comparison to the NGT and NDD groups. On regression models, ASR was associated with MIC [OR: 0.256; 95\% CI: 0.158-0.491] and MAC [OR 0.146; 95\% CI: 0.071-0.292] controlled for all the available confounding factors. ROC analysis revealed ASR cut-point of 0.95 had C-statistic of 0.691 (95\% CI: 0.627-0.755) to discriminate MIC from NDD with 72\% sensitivity. Whereas, an ASR cut-point of 0.82 had C-statistic of 0.846 (95\% CI: 0.800 - 0.893) had 91\% sensitivity for identifying MAC. Our results suggest ASR as a potential early diagnostic biomarker for DN among the Asian Indians.

}, issn = {2045-2322}, doi = {10.1038/s41598-020-59897-1}, author = {Parmar, Dharmeshkumar and Bhattacharya, Nivedita and Kannan, Shanthini and Vadivel, Sangeetha and Pandey, Gautam Kumar and Ghanate, Avinash and Ragi, Nagarjuna Chary and Prabu, Paramasivam and Pramodkumar, Thyparambil Aravindakshan and Manickam, Nagaraj and Mohan, Viswanathan and Sripadi, Prabhakar and Kuppan, Gokulakrishnan and Panchagnula, Venkateswarlu} } @article {46877, title = {Poly (vinylpyrrolidone)-iodine engineered poly (epsilon-caprolactone) nanofibers as potential wound dressing materials}, journal = {Materials Science \& Engineering C-Materials for Biological Applications}, volume = {110}, year = {2020}, month = {MAY}, pages = {110731}, type = {Article}, abstract = {

Facilitating the process of wound healing and effective treatment of wounds remains a serious challenge in healthcare. Wound dressing materials play a major role in the protection of wounds and in accelerating the natural healing process. In the present study, novel core/shell (c/s) nanofibrous mats of poly(vinyl pyrrolidone)-iodine (PVPI) and polycaprolactone (PCL) were fabricated using a co-axial electrospinning process followed by their surface modification with poly-L-lysine. The developed nanofibrous mats were extensively characterized for their physicochemical properties using various analytical techniques. The core/shell structure of the PVP-I/PCL nanofibers was confirmed using TEM analysis. The PVP-I release studies showed an initial burst phase followed by a sustained release pattern of PVP-I over a period of 30 days. The developed nanofibers exhibited higher BSA and fibrinogen adsorption as compared to pristine PCL. Cytotoxicity studies using MTT assay demonstrated that the PVP-I/PCL (c/s) nanofibers were cytocompatible at optimized PVP-I concentration (3 wt\%). The PCL-poly-L-lysine and PVP-I/PCL-poly-L-lysine nanofibers exhibited higher cell viability (24.2\% and 21.4\% higher at day 7) when compared to uncoated PCL and PVP-I/PCL nanofibers. The PVP-I/PCL nanofibers showed excellent antimicrobial activity against both Gram-positive (S. aureus) and Gram-negative (E. coli) bacteria. The inflammatory response of Mouse RAW 264.7 macrophage cells towards the nanofibers was studied using RTPCR. It revealed that the pro-inflammatory cytokines (TNF-alpha and IL-1 beta) were significantly upregulated on PCL nanofibers, while their expression was comparatively lower on poly-L-lysine coated PCL or PVP-I/PCL(c/s) nanofibers. Overall, the study highlights the ability of poly-L-lysine coated PVP-I/PCL (c/s) nanofibers as potential wound dressing materials effectively facilitating the early stage wound healing and repair process by virtue of their selective modulation of inflammation, cell adhesion and antimicrobial properties.

}, keywords = {biodegradable, Controlled release, Core/shell, electrospinning, scaffolds, tissue engineering}, issn = {0928-4931}, doi = {10.1016/j.msec.2020.110731}, author = {Shitole, Ajinkya A. and Raut, Piyush and Giram, Prabhanjan and Rade, Priyanka and Khandwekar, Anand and Garnaik, Baijayantimala and Sharma, Neeti} } @article {47339, title = {Potential of myo-inositol as a starting material for natural product synthesis}, journal = {Journal of the Indian Chemical Society}, volume = {97}, year = {2020}, month = {FEB}, pages = {177-185}, type = {Article}, abstract = {

Phosphorylated derivatives of myo-inositol are involved in various cellular processes and they are crucial for the survival of cells. Discoveries related to these biological aspects revived the interest in the chemistry of inositols, since derivatives and analogs of phosphoinositols were required as molecular tools for the delineation of the myo-inositol cycle in eukaryotic cells. Extensive research on the chemistry of inositols in the last 3-4 decades encouraged organic chemists to explore the use of myo-inositol, the most abundantly available inositol, as a starting material for the synthesis of natural products. This article is an attempt to review the progress in this area of synthetic chemistry and identify aspects that need to be addressed to increase the potential of myo-inositol as a starting material for natural product synthesis.

}, author = {Shashidhar, Mysore and Patil, Nivedita} } @article {46720, title = {Prediction of survival rate and effect of drugs on cancer patients with somatic mutations of genes: an AI-based approach}, journal = {Chemical Biology \& Drug Design}, volume = {96}, year = {2020}, month = {SEP}, pages = {1005-1019}, type = {Article}, abstract = {

The causal role of somatic mutation and its interrelationship with gene expression profile during tumor development has already been observed, which plays a major role to decide the cancer grades and overall survival. Accurate and robust prediction of tumor grades and patients{\textquoteright} overall survival are important for prognosis, risk factors identification and betterment of the treatment strategy, especially for highly lethal tumors, like gliomas. Here, with the help of more accurate and widely used machine learning-based approaches, we propose an integrative computational pipeline that incorporates somatic mutations and gene expression profile for survival and grade prediction of glioma patients and simultaneously relates it to the drugs to be administered. This study gives us a clear understanding that the same drug is not effective for the treatment of same grade of cancer if the gene mutations are different. The alteration in a specific gene plays a very important role in tumor progression and should also be considered for the selection of appropriate drugs. This proposed framework includes all the necessary factors required for enhancement of therapeutic designs and could be useful for clinicians in determining an accurate and personalized treatment strategy for individual patients suffering from different life threatening diseases.

}, keywords = {gene expression and copy number variation, gliomas, grade and survival prediction, machine learning strategy, significant gene prediction and effect of drugs, somatic mutation}, issn = {1747-0277}, doi = {10.1111/cbdd.13668}, author = {Saurabh, Rochi and Nandi, Sutanu and Sinha, Noopur and Shukla, Mudita and Sarkar, Ram Rup} } @article {46612, title = {Preparation, spectroscopic characterization, theoretical investigations, and in vitro anticancer activity of Cd(II), Ni(II), Zn(II), and Cu(II) complexes of 4(3H)-quinazolinone-derived schiff base}, journal = {Molecules}, volume = {25}, year = {2020}, month = {DEC}, pages = {5973}, type = {Article}, abstract = {

Herein, we report the synthesis and characterization of a new Schiff base ligand 3-[[(E)-(3-hydroxyphenyl)-methylidene]amino]-2-methyl-quinazolin-4(3 H)-one (HAMQ) and its Cd(II), Ni(II), Zn(II), and Cu(II) complexes (C-1-C-4). The ligand HAMQ was synthesized by reacting 3-hydroxybenzaldehyde and 3-amino-2-methyl-4(3H)-quinazolinone in a 1:1 molar ratio. The structure of the ligand and its complexes (C-1-C-4) were evaluated using ultraviolet (UV)-visible (Vis) light spectroscopy, H-1-NMR, Fourier-transform infrared (FT-IR) spectroscopy, MS, elemental analysis, conductance data, and thermogravimetric analysis (TGA). The characterization results suggested that the bidentate ligand, HAMQ, coordinated to the metal center through the lactum oxygen and the azomethine nitrogen. Moreover, all the metal complexes were analyzed using powder X-ray diffraction studies, which revealed that all of them belong to a triclinic crystal system. The research was supplemented by density functional theory (DFT) studies on the IR and UV-Vis spectra, as well as the chemical reactivity of the HAMQ and its four metallic derivatives making use of conceptual density functional theory (CDFT) by means of KID (Koopmans in DFT) methodology. The synthesized complexes displayed significant in vitro anticancer activity against human cancer cell lines (HeLa and HCT-115).

}, keywords = {3-quinolin-4(3H)-one, chemical reactivity properties, conceptual DFT, Metal complexes, spectral studies}, doi = {10.3390/molecules25245973}, author = {Ashok, Ubale Panchsheela and Kollur, Shiva Prasad and Anil, Nishad and Arun, Bansode Prakash and Jadhav, Sanjay Namdev and Sarsamkar, Sanjay and Helavi, Vasant Baburao and Srinivasan, Asha and Kaulage, Sandeep and Veerapur, Ravindra and Al-Rashed, Sarah and Syed, Asad and Ortega-Castro, Joaquin and Frau, Juan and Flores-Holguin, Norma and Glossman-Mitnik, Daniel} } @article {46632, title = {Process development for 6-aminopenicillanic acid production using lentikats-encapsulated escherichia coli cells expressing penicillin V acylase}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {NOV }, pages = {28972-28976}, type = {Article}, abstract = {

Penicillin V acylase (PVA, EC 3.5.1.11) hydrolyzes the side chain of phenoxymethylpenicillin (Pen V) and finds application in the manufacture of the pharmaceutical intermediate 6-aminopenicillanic acid (6-APA). Here, we report the scale-up of cultivation of Escherichia coli whole cells expressing a highly active PVA from Pectobacterium atrosepticum and their encapsulation in polyvinyl alcohol-poly(ethylene glycol) Lentikats hydrogels. A biocatalytic process for the hydrolysis of 2\% (w/v) Pen V was set up in a 2 L reactor using the Lentikats-immobilized whole cells, with a customized setup to enable continuous downstream processing of the reaction products. The biocatalytic reaction afforded complete conversion of Pen V for 10 reaction cycles, with an overall 90\% conversion up to 50 cycles. The bioprocess was further scaled up to the pilot-scale at 10 L, enabling complete conversion of Pen V to 6-APA for 10 cycles. The 6-APA and phenoxy acetic acid products were recovered from downstream processing with isolated yields of 85-90 and 87-92\%, respectively. Immobilization in Lentikats beads improved the stability of the whole cells on storage, maintaining 90-100\% activity and similar conversion efficiency after 3 months at 4 degrees C. The robust PVA biocatalyst can be employed in a continuous process to provide a sustainable route for bulk 6-APA production from Pen V.

}, issn = {2470-1343}, doi = {10.1021/acsomega.0c02813}, author = {Sawant, Amol M. and Sunder, Avinash Vellore and Vamkudoth, Koteswara Rao and Ramasamy, Sureshkumar and Pundle, Archana} } @article {46855, title = {PVDF/BaTiO3 films with nanocellulose impregnation: investigation of structural, morphological and mechanical properties}, journal = {Journal of Alloys and Compounds}, volume = {823}, year = {2020}, month = {MAY}, pages = {153701}, type = {Article}, abstract = {

Polyvinylidene fluoride (PVDF) composite films have witnessed widespread applications in biomedical and flexible electronic devices in recent years. These applications require a material that has enhanced electrical properties, mechanical flexibility along with sufficient strength. A lot of research has been carried out to enhance the piezoelectric and dielectric properties of the PVDF composite films. However, the improvements in the mechanical properties of nano filler reinforced PVDF composite films has not received due attention. In this regard, the present work focuses towards enhancing the mechanical strength and load-bearing capability of PVDF, by preparing composites of PVDF films impregnated with Cellulose Nanocrystals (CNC) and Barium Titanate (BTO) nanoparticles. Solution casting method was adapted to fabricate the PVDF/BTO/CNC films. X-ray diffractograms and FTIR (Fourier Transform infrared spectroscopy) corroborate the presence of ferroelectric gamma phase in PVDF. Mechanical and viscoelastic measurements have been carried out to examine the influence of CNC and BTO nano fillers in the PVDF matrix. The addition of CNC and BTO in PVDF film has improved the mechanical strength significantly. The stress achieved for PVDF/5\% BTO and PVDF/5\% BTO with 0.9\% of CNC at 5\% strain was 17\% and 130\% higher than the pristine PVDF, respectively. This study can be helpful for the design engineers to meet custom/specific requirements for a myriad of end- user applications such as piezoelectric nanogenerators. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {BaTiO3, Composite films, Mechanics, Morphology, Nanocellulose, PVDF}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2020.153701}, author = {Ram, Farsa and Kaviraj, P. and Pramanik, R. and Krishnan, Amrutha and Shanmuganathan, Kadhiravan and Arockiarajan, A.} } @article {46607, title = {Radical rearrangement of aryl/alkylidene malononitriles via aza michael addition/decynoformylation/addition sequence: an access to alpha-aminonitriles and alpha-aminoamides}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {DEC }, pages = {14858-14865}, type = {Article}, abstract = {

An efficient, safe, and environmentally friendly tertiary butyl hydrogen peroxide (TBHP)-mediated rearrangement of aryl/alkylidene malononitrile with anilines has been developed with in situ generation of HCN as the cyanide source for the synthesis of substituted alpha-aminonitriles and alpha-aminoamide. A diverse set of alpha-aminonitriles and alpha-aminoamides was efficiently synthesized in good to excellent yields. This method features a broad substrate scope and good functional group tolerance, and the in situ-generated HCN bypasses the use of an external cyanide source.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c01358}, author = {Bhoite, Shubhangi P. and Bansodes, Ajay H. and Suryavanshi, Gurunath} } @article {46997, title = {Rational synthesis of 10GDC electrolyte through a microwave irradiation GNP facile route for SOFC applications}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JAN}, pages = {3020-3028}, type = {Article}, abstract = {

The gadolinium-doped ceria Gd0.1Ce0.9O1.95 (10GDC) powder was synthesized using a microwave-synthesized glycine nitrate process (MS-GNP). The powder was subsequently pressed into circular pellets and sintered at various temperatures viz. 800, 900, 1000 and 1200 degrees C, in a microwave, high temperature furnace for 4 h so as to investigate the effect of the sintering temperature and sintering environment on the structural, morphological, thermal and electrical properties. The crystallite size and particle size as observed from X-Ray Diffraction (XRD) and Field Emission Scanning Electron Microscopy (FESEM) are found to be in the range of 15-28 nm and 12-20 nm, respectively. The electrochemical impedance spectroscopy (EIS) analysis was carried out to study the electrochemical properties during the cooling cycle from 400 degrees C to 800 degrees C. The highest value of ionic conductivity (3.55 x 10(-1) S cm(-1)) is observed at an operating temperature of 800 degrees C and O-2 gas partial pressure of 1 atm. Further, it is observed that the sintering temperature has a significant effect on the surface morphology and crystallite size, thereby improving the electrical performance of the samples. Though 20GDC was used as an electrolyte in the authors{\textquoteright} previous study, the novelty of the present work is the synthesis of 10GDC using a microwave-assisted glycine nitrate process and the size (thickness) of the prepared electrolyte for use in a Solid Oxide Fuel Cell (SOFC), which plays a major role in enhancing the structural, morphological and electrochemical properties with respect to different sintering temperatures as compared to the reported data. Hence, the prepared 10GDC electrolyte may be treated as one of the promising candidates as an electrolyte for SOFC for intermediate as well as high temperature applications.

}, doi = {10.1039/c9ra09476h}, author = {Shaikh, S. P. S. and Rode, V, Chandrashekhar} } @article {47017, title = {Recent advances in plant nanobionics and nanobiosensors for toxicology applications}, journal = {Current Nanoscience}, volume = {16}, year = {2020}, month = {JAN}, pages = {27-41}, type = {Review}, abstract = {

Emerging applications in the field of nanotechnology are able to solve a gamut of problems surrounding the applications of agroecosystems and food technology. Nano Engineered Material (NEM) based nanosensors are important tools for monitoring plant signaling pathways and metabolism that arc nondestructive, minimally invasive, and can provide real-time analysis of biotic and abiotic threats for better plant health. These sensors can measure chemical flux even at the single molecule level. Therefore, plant health could be monitored through nutrient management, disease assessment, plant hormones level, environmental pollution, etc. This review provides a comprehensive account of the current trends and practices for the proposed NEM related research and its (i) structural aspect, (ii) experimental design and performance as well as (iii) mechanisms of field application in agriculture and food system. This review also discusses the possibility of integration of data from NEM based nanosensors in current and emerging trends of precision agriculture, urban farming, and plant nanobionics to adopt a sustainable approach in agriculture,

}, keywords = {agro-ecosystems, engineered nanomaterials, nanobionics, Nanosensors, nanotechnology, nanotoxicology}, issn = {1573-4137}, doi = {10.2174/1573413715666190409101305}, author = {Ansari, Mohammad Hasan Dad and Lavhale, Santosh and Kalunke, Raviraj M. and Srivastava, Prabhakar L. and Pandit, Vaibhav and Gade, Subodh and Yadav, Sanjay and Laux, Peter and Luch, Andreas and Gemmati, Donato and Zamboni, Paolo and Singh, Ajay Vikram} } @article {46703, title = {Reduction of trap and polydispersity in mutually passivated quantum dot solar cells}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {SEP}, pages = {8903-8911}, type = {Article}, abstract = {

Control over surface passivation is a key to manage the optoelectronic properties in low-dimensional nanomaterials because of their high surface-to-volume ratios. Tunable band gap quantum dots (QDs) are a potential building block for the development of optoelectronic devices like solar cells, photodetectors, and light-emitting diodes. Long and insulating surface ligands of colloidally synthesized QDs are exchanged by short ligands to attain compact arrangement in thin films to facilitate the charge transport process. However, the ligand exchange process often resulted in reduced surface passivation, inhomogeneous QD fusion, and deterioration of energy band gap, which adversely impact their performance in solar cells. Here, we introduce a surface passivation strategy where the QDs are mutually passivated by the organic ligand 3-methyl mercapto propionate and inorganic halometallate ligands to develop a conducting QD ink. The mutually passivated QDs (MPQDs) show significant improvement in optoelectronic properties in maintaining the trap-free energy band gap and size monodispersity. The photovoltaic performance of MPQDs shows a 33\% average increase in power conversion efficiency (PCE) over the conventional halometallate passivation to attain 9.6\% PCE in MPQD solar cells. The improvements in photovoltaic parameters are corroborated by the reduction in density of the intermediate trap states and an increase in depletion width and diffusion length in MPQD-based solar cells.

}, keywords = {polydispersity, quantum dot, solar cells, surface passivation, trap states}, issn = {2574-0962}, doi = {10.1021/acsaem.0c01378}, author = {Sharma, Ashish and Mahajan, Chandan and Rath, Arup K.} } @article {46927, title = {Relativistic double-ionization equation-of-motion coupled-cluster method: application to low-lying doubly ionized states}, journal = {Journal of Chemical Physics}, volume = {152}, year = {2020}, month = {MAR}, pages = {104302}, type = {Article}, abstract = {

This article deals with the extension of the relativistic double-ionization equation-of-motion coupled-cluster (DI-EOMCC) method [H. Pathak et al. Phys. Rev. A 90, 010501(R) (2014)] for the molecular systems. The Dirac-Coulomb Hamiltonian with four-component spinors is considered to take care of the relativistic effects. The implemented method is employed to compute a few low-lying doubly ionized states of noble gas atoms (Ar, Kr, Xe, and Rn) and Cl-2, Br-2, HBr, and HI. Additionally, we presented results with two intermediate schemes in the four-component relativistic DI-EOMCC framework to understand the role of electron correlation. The computed double ionization spectra for the atomic systems are compared with the values from the non-relativistic DI-EOMCC method with spin-orbit coupling [Z. Wang et al. J. Chem. Phys. 142, 144109 (2015)] and the values from the National Institute of Science and Technology (NIST) database. Our atomic results are found to be in good agreement with the NIST values. Furthermore, the obtained results for the molecular systems agree well with the available experimental values.

}, issn = {0021-9606}, doi = {10.1063/1.5140988}, author = {Pathak, Himadri and Sasmal, Sudip and Talukdar, Kaushik and Nayak, Malaya K. and Veval, Nayana and Pal, Sourav} } @article {46857, title = {Removal of fluoride from aqueous solution by mesoporous silica nanoparticles functionalized with chitosan derived from mushroom}, journal = {Journal of Macromolecular Science Part A-Pure and Applied Chemistry}, volume = {57}, year = {2020}, month = {SEP }, pages = {619-627}, type = {Article}, abstract = {

In the present study, chitosan functionalized mesoporous silica nanoparticles have been synthesized. Chitosan derived from an edible mushroom, Agaricus bisporus was used during synthesis of chitosan functionalized silica nanoparticles. The functionalized silica nanoparticles were subjected to fluoride sorption using a batch method which subsequently showed removal efficiency of 95\% with maximum sorption capacity, 58.8 mg/g. The characterization of nanoparticles was carried out by SEM, EDAX, XRD and FTIR analysis respectively. EDAX analysis suggested that oxygen, 51.83\% and silica 37.24\% was main constituent of the functionalized nanomaterials. XRD yielded characteristic diffraction pattern corresponding to the lattice planes (100), (110), (112), (120), (200) and (220) respectively. Sorption data was used to study equilibrium isotherm namely Langmuir and Freundlich model. The adsorption capacity increased with temperature while kinetics studies revealed that the adsorption process followed a pseudo-second-order rate equation. The enthalpy change (Delta H) and entropy change (Delta S) was found to be -31.36 kJmol(-1) and -7.75 Jmol(-1) K-1, showing endothermic and spontaneous nature of the fluoride adsorption. Data suggested that the nature of adsorption belonged to chemisorptions. The overall results suggested that the synthesized nanoparticles showed strong and specific affinity for fluoride and could be excellent adsorbents for defluoridation.

}, keywords = {Adsorption, Chitosan, EDAX, Fluoride, SEM}, issn = {1060-1325}, doi = {10.1080/10601325.2020.1738896, Early Access Date = MAY 2020}, author = {Srivastava, Anushree and Kumari, Madhu and Ramanathan, Alagappan and Selvaraj, Kaliaperumal and Prasad, Bablu and Prasad, Kumar Suranjit} } @article {46797, title = {Renewing polyethylene: insertion copolymerization of sugar derived hydrophilic monomers with ethylene}, journal = {European Polymer Journal}, volume = {134}, year = {2020}, month = {JUL }, pages = {109775}, type = {Article}, abstract = {

Although highly desirable, insertion copolymerization of renewable resource derived functional olefins with ethylene has been rarely investigated. Herein, we report insertion copolymerization of challenging sugar derived isohexide mono-enes with ethylene in the presence of Pd-phosphinesulfonate acetonitrile catalyst (C1). Thus, copolymerization of ethylene with isomannide mono-ene (2a), isosorbide mono-ene (2b{\textquoteright}), isoidide mono-ene (2c) and methacryl-2,3,4,6-tetra-O-acetyl-D glucopyranoside (2d) afforded corresponding functionalized polyethylene (P2a-1 to P2d-1). High temperature proton NMR investigations revealed enchainment of 2a-2c in polyethylene backbone and the highest incorporation of 1.45\% was observed for 2c. The high temperature proton NMR results were further corroborated by solid state C-13 NMR and IR spectroscopy. Gel permeation chromatography analysis displayed weight average molecular weight in the range of 13.0-27.2 x 10(3) g/mol. The thus prepared copolymers revealed melting temperature in the range of 117-126 degrees C. Relatively reduced melting temperature compared to neat polyethylene may suggest an irregular arrangement of pendant functional group on polyethylene main chain.

}, keywords = {Hydrophilic polyethylene, insertion copolymerization, Isohexide mono-enes, Polyethylene, Sugar}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2020.109775}, author = {Rajput, Bhausaheb S. and Pawal, Sandip B. and Bodkhe, V. Dnyaneshwar and Rao, I. Nagamalleswara and Sainath, Annadanam V. Sesha and Chikkali, Samir H.} } @article {47453, title = {Reply to {\textquotedblleft}comment on {\textquoteleft}arresting an unusual amide tautomer using divalent cations{\textquoteright}{\textquotedblright}}, journal = {Journal of Physical Chemistry B}, volume = {125}, year = {2020}, month = {DEC}, pages = {479{\textendash}483}, type = {Article}, abstract = {

In our publication, we assigned the blue-shifted shoulder of\ N-methylacetamide (NMA) in the infrared (IR) spectrum (\~{}1645 cm{\textendash}1) to an iminolate tautomer stabilized in the presence of divalent metal cations (e.g., 5 M Ca2+).(1)\ Cremer and co-workers comment that this shoulder arises from the dehydration of the amide oxygen upon interaction with the metal cations.(2,3)\ Their assignment is based on three interesting experimental observations: (1) the IR spectrum of\ 15N-isotope-labeled NMA does not show any considerable red-shift compared to that of NMA; (2) a new peak appears for NMA at 1680 cm{\textendash}1\ in the presence of 1 M DCl, which shows a 17 cm{\textendash}1\ red-shift for\ 15N-labeled NMA; and (3) the IR spectrum of acetone C=O stretch also demonstrates a blue-shifted shoulder in the presence of a high concentration of CaCl2.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c06005}, author = {Kashid, Somnath M. and Singh, Reman K. and Kwon, Hyejin and Seol, Jin Gyu and Kim, Yung Sam and Mukherjee, Arnab and Bagchi, Sayan} } @article {46773, title = {Residue-based propensity of aggregation in the Tau amyloidogenic hexapeptides AcPHF6*and AcPHF6}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JUL}, pages = {27331-27335}, type = {Article}, abstract = {

In Alzheimer{\textquoteright}s disease and related tauopathies, the aggregation of microtubule-associated protein, Tau, into fibrils occursviathe interaction of two hexapeptide motifs PHF*(275)VQIINK(280)and PHF(306)VQIVYK(311)as beta-sheets. To understand the role of the constituent amino acids of PHF and PHF* in the aggregation, a set of 12 alanine mutant peptides was synthesized by replacing each amino acid in PHF and PHF* with alanine and they were characterized by nuclear magnetic resonance (NMR) spectroscopy, circular dichroism (CD), transmission electron microscopy (TEM) and ThS/ANS fluorescence assay. Our studies show that while the aggregation was suppressed in most of the alanine mutant peptides, replacement of glutamine by alanine in both PHF and PHF* enhanced the fibrillization.

}, doi = {10.1039/d0ra03809a}, author = {Dangi, Abha and Balmik, Abhishek Ankur and Ghorpade, Archana Kisan and Gorantla, Nalini Vijay and Sonawane, Shweta Kishor and Chinnathambi, Subashchandrabose and Marelli, Udaya Kiran} } @article {46763, title = {Review of porous adsorbents for the separation of nitrogen from natural gas}, journal = {Industrial \& Engineering Chemistry Research}, volume = {59}, year = {2020}, month = {JUL}, pages = {13355-13369}, type = {Review}, abstract = {

Natural gas is one of the critical fossil fuel sources in the world to fulfill current energy demand in the global market. Methane is the primary component in natural gas and its concentration is dependent on the source; a variety of impurities, such as nitrogen, carbon dioxide, oxygen, helium, hydrogen sulfide, water, and heavier hydrocarbons can be present, which reduces the overall fuel quality. Purification of natural gas is important in order to meet the U.S. pipeline and minimum heating value specifications. The separation of nitrogen from methane is challenging because of their similar molecular size (i.e., the two gases differ in kinetic diameter by only 0.16 angstrom). This Review discusses different methods for separating nitrogen from methane. Of these methods, pressure swing adsorption is one of the most effective techniques for separating nitrogen from natural gas using porous adsorbents, and encouraging results have been demonstrated in the past few decades. Many types of porous adsorbents are discussed here, including carbon molecular sieves, activated carbons, zeolites, titanosilicates, and metal-organic frameworks. Future trends and materials are discussed to put into perspective the new opportunities in this research area.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.0c02730}, author = {Nandanwar, Sachin U. and Corbin, David R. and Shiflett, Mark B.} } @article {46943, title = {Role of cholesterol-mediated effects in GPCR heterodimers}, journal = {Chemistry and Physics of Lipids}, volume = {227}, year = {2020}, month = {MAR}, pages = {104852}, type = {Article}, abstract = {

G protein-coupled receptors (GPCRs) are transmembrane receptors that mediate a large number of cellular responses. The organization of GPCRs into dimers and higher-order oligomers is known to allow a larger repertoire of downstream signaling events. In this context, a crosstalk between the adenosine and dopamine receptors has been reported, indicating the presence of heterodimers that are functionally relevant. In this paper, we explored the effect of membrane cholesterol on the adenosine(2A) (A(2A)) and dopamine D-3 (D-3) receptors using coarse-grain molecular dynamics simulations. We analyzed cholesterol interaction sites on the A(2A) receptor and were able to reproduce the sites indicated by crystallography and previous atomistic simulations. We predict novel cholesterol interaction sites on the D-3 receptor that could be important in the reported cholesterol sensitivity in receptor function. Further, we analyzed the formation of heterodimers between the two receptors. Our results suggest that membrane cholesterol modulates the relative population of several co-existing heterodimer conformations. Both direct receptor-cholesterol interaction and indirect membrane effects contribute toward the modulation of heterodimer conformations. These results constitute one of the first examples of modulation of GPCR hetero-dimerization by membrane cholesterol, and could prove to be useful in designing better therapeutic strategies.

}, keywords = {Adenosine(2A) receptor, Cholesterol, Dopamine D-3 receptor, G protein-coupled receptors, Heterodimer, MARTINI coarse-grain simulation}, issn = {0009-3084}, doi = {10.1016/j.chemphyslip.2019.104852}, author = {Prasanna, Xavier and Mohole, Madhura and Chattopadhyay, Amitabha and Sengupta, Durba} } @article {46881, title = {Room temperature processed in-situ carbon-coated vanadium carbide (VC@C) as a high capacity robust Li/Na battery anode material}, journal = {Carbon}, volume = {161}, year = {2020}, month = {MAY}, pages = {108-116}, type = {Article}, abstract = {

3D carbide systems with their robust physical and mechanical properties have always attracted multiple application interests. In this report, we have synthesized a three-dimensional in-situ carbon coated cubic carbide, Vanadium Carbide (VC@C), by a very simple, scalable and cost-effective room temperature mechano-chemical ball-milling procedure and researched its promise as effective anode material for Li and Na ion batteries. We have demonstrated that VC@C shows an impressive initial discharge/lithiation capacity of 1165 mAh g(-1) with a high reversible capacity of 640 mAh g(-1) after 100 charge-discharge cycles at an applied current density of 0.1 A g(-1). We have also found that this material renders a very promising rate performance with significantly low capacity drop after exposing it to variable current densities ranging from 0.05 A g(-1) to 2 A g(-1) with an excellent stability up to 1000 cycles owing to its structural robustness, as verified by post-cycling characterizations. A Li-ion full cell study using LiCoO2 as cathode also showed excellent promise in terms of practical application demonstrating a reversible capacity of 95 mAh g(-1) after 100 cycles. Even for Na insertion/de-insertion VC@C shows a clear promise in terms of capacity, cyclic stability and rate performance. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {3D carbide, In-situ synthesis, Li-ion battery, Post cycling characterization, Room temperature ball milling, Williamson-Hall analysis}, issn = {0008-6223}, doi = {10.1016/j.carbon.2020.01.057}, author = {Mahajan, Mani and Roy, Kingshuk and Parmar, Swati and Singla, Gourav and Pandey, O. P. and Singh, K. and Vaidhyanathan, Ramanathan and Ogale, Satishchandra} } @article {46634, title = {Scalable synthesis of 3-Ethyl-4-methyl-1,5-dihydro-2H-pyrrol-2-one: an important building block of the antidiabetic drug glimepiride}, journal = {Synthesis-Stuttgart}, volume = {52}, year = {2020}, month = {NOV}, pages = {3480-3484}, type = {Article}, abstract = {

A four-step, practical, and easily scalable synthesis of 3-ethyl-4-methyl-1,5-dihydro-2H-pyrrol-2-one, an important building block of the antidiabetic drug glimepiride, has been accomplished. Key features are the synthesis of 3-methyl-4-hydroxy-2-butenolide in water and triflic acid mediated N-benzyl lactam N-deprotection. The main advantages of this process are the scalable synthetic route and decreased number of reaction steps, which paves the way for the industrial-scale synthesis of 3-ethyl-4-methyl-1,5-dihydro-2H-pyrrol-2-one.

}, keywords = {antidiabetic drug, Butenolide, glimepiride, lactams, scalable synthesis}, issn = {0039-7881}, doi = {10.1055/s-0040-1707344}, author = {Chavan, Subhash P. and Pawar, Ambaji A. and Patil, Niteen B. and Kadam, Appasaheb L. and Shinde, Shrikrishna S.} } @article {46808, title = {Screening of zero valent mono/bimetallic catalysts and recommendation of Raney Ni (without reducing agent) for dechlorination of 4-chlorophenol}, journal = {Chemosphere}, volume = {250}, year = {2020}, month = {JUL}, pages = {126298}, type = {Article}, abstract = {

Chlorophenol (CP) is considered as environmentally hazardous material due to its acute toxicity, persistent nature and strong bioaccumulation. The dechlorination of 4-CP was investigated by using various catalysts such as bimetallic (Fe-0/Cu-0, Al-0/Fe-0), Pd/C, Raney Ni and Fe-0 at room temperature. Among the catalysts studied, Raney Ni proved to be very economical and efficient catalyst that worked without the use of an external reducing agent. The dechlorination of 4-CP by Raney Ni was therefore further explored. Complete dechlorination of 4-CP (30 mg L-1) was achieved in 6 hat an optimum Raney Ni catalyst loading of 3 g L-1. The effect of triethylamine (TEA) and tripropylamine (TPA) was also investigated and it was observed that 100\% dechlorination is possible in presence of 45 mg L-1 of TEA. The kinetics of dechlorination of 4-CP was investigated and found to be first order with a rate constant of 0.017 min(-1) at 50 degrees C, and it enhances to 0.109 min(-1) with addition of TEA. In the absence of a reducing agent, acidic to neutral pH favors dechlorination of 4-CP. The final product of dechlorination was estimated to be phenol by performing HPLC, LCMS and NMR analysis. Based on the results, a probable dechlorination mechanism of 4-CP is also proposed. It can be concluded that the catalytic hydrodechlorination is an effective and economical technique for dechlorination of 4-CP and it has a potential for the dechlorination of other toxic derivatives of chlorinated aromatics. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {4-Chlorophenol, Cl- scavenger, Hydrodechlorination, Raney Ni, Recycling of catalyst, Without reducing agent}, issn = {0045-6535}, doi = {10.1016/j.chemosphere.2020.126298}, author = {Raut, Sandesh S. and Shetty, Rohit and Raju, Nikhi Maria and Kamble, Sanjay P. and Kulkarni, Prashant S.} } @article {47007, title = {Selective, bifunctional Cu-WOx/Al2O3 catalyst for hydrodeoxygenation of fatty acids}, journal = {Catalysis Science \& Technology}, volume = {10}, year = {2020}, month = {JAN }, pages = {268-277}, type = {Article}, abstract = {

Selective hydrodeoxygenation of oleic acid (OA; in a batch reactor, at 300 degrees C, 30 bar H-2 pressure, reaction time of 1 h and reactant-to-catalyst weight ratio of 2 g OA/0.2 g) forming n-octadecane in yields as high as 93\% over a non-noble metal, sulfur-free, bimetallic Cu-WOx/Al2O3 catalyst is reported for the first time. Several Cu-WOx/Al2O3 compositions were prepared by a sequential wet-impregnation method and evaluated. A catalyst with 10 wt\% Cu and 4 wt\% W enabled the highest activity and selectivity. Upon adding WOx, the amount of moderate and strong acid sites increased and more Cu in the catalyst was in reduced electron-rich metallic (Cu-0) state. The crystallite size and dispersion of Cu were little affected. WOx promoted the fatty acid hydrodeoxygenation activity of Cu. While a monometallic Cu catalyst (10Cu/Al2O3) yielded n-octadecane and n-heptadecane along with high amounts of intermediate octadecanol and octadecanal products, the bimetallic catalyst (10Cu-4WO(x)/Al2O3) gave mainly n-octadecane. Acidity and the high amount of reduced Cu-0 species are responsible for the high catalytic hydrodeoxygenation performance of this bimetallic catalyst.

}, issn = {2044-4753}, doi = {10.1039/c9cy01939a}, author = {Janampelli, Sagar and Sethia, Govind and Darbha, Srinivas} } @article {46906, title = {Selectivity engineering of Meerwein arylation in a continuous flow reactor: a modelling approach}, journal = {Reaction Chemistry \& Engineering}, volume = {5}, year = {2020}, month = {APR }, pages = {736-746}, type = {Article}, abstract = {

This paper presents a methodology for selectivity engineering of Meerwein arylation in a flow reactor. The reaction was optimized in batch mode and reaction kinetics were obtained over a range of temperatures and catalyst concentrations. A lumped kinetic model was formulated and the parameters were estimated using nonlinear regression. Furthermore, telescopic flow synthesis for Meerwein arylation via in situ diazonium salt generation and coupling was demonstrated. A non-isothermal model was developed and experimentally validated. The effect of initial concentration and inlet temperature on the yield of the desired product was estimated for various catalyst concentrations. The results from the simulations in terms of nondimensional numbers were used to find suitable operating conditions for Meerwein arylation.

}, issn = {2058-9883}, doi = {10.1039/c9re00477g}, author = {Shukla, Chinmay A. and Atapalkar, Ranjit S. and Kulkarni, Amol A.} } @article {46882, title = {Shotgun metagenome guided exploration of anthropogenically driven resistomic hotspots within Lonar soda lake of India}, journal = {Ecotoxicology and Environmental Safety}, volume = {194}, year = {2020}, month = {MAY}, pages = {110443}, type = {Article}, abstract = {

Anthropogenic activities mediated antibiotic resistance genes (ARGs) in the pristine aquatic bodies (lakes) is raising concern worldwide. Long read shotgun sequencing was used to assess taxonomic diversity, distribution of ARGs and metal resistance genes (MRGs) and mobile genetic elements (MGEs) in six sites within hypersaline Lonar soda lake (India) prone to various anthropogenic activities. Proteobacteria and Euryarchaeota were dominant phyla under domain Bacteria and Archaea respectively. Higher abundance of Bacteroidetes was pragmatic at sites 18LN5 and 18LN6. Functional analysis indicated 26 broad-spectrum ARGs types, not reported earlier in this ecosystem. Abundant ARG types identified were multidrug efflux, glycopepetide, bacitracin, tetracycline and aminogylcoside resistance. Sites 18LN1 and 18LN5 depicted 167 and 160 different ARGs subtypes respectively and rpoB2, bcrA, tetA(48), mupA, ompR, patA, vanR and multidrug ABC transporter genes were present in all samples. The rpoB2 gene was dominant in 18LN1, whereas bcrA gene in 18LN2-18LN6 sites. Around 24 MRGs types were detected with higher abundance of arsenic in 18LN1 and copper in 18LN2-18LN6, signifying metal contamination linked to MRGs. The bacterial taxa Pseudomonas, Thioalkalivibrio, Burkholderia, Clostridium, Paenibacillus, Bacillus and Streptomyces were significantly associated with ARGs. This study highlights the resistomic hotspots in the lake for deploying policies for conservation efforts.

}, keywords = {ARGs, diversity, Lonar lake, MGEs, MRGs, Nanopore sequencing}, issn = {0147-6513}, doi = {10.1016/j.ecoenv.2020.110443}, author = {Chakraborty, Jaya and Sapkale, Vibhavari and Rajput, Vinay and Shah, Manan and Kamble, Sanjay and Dharne, Mahesh} } @article {46749, title = {Silk fibroin 3D microparticle scaffolds with bioactive ceramics: chemical, mechanical, and osteoregenerative characteristics}, journal = {Advanced Engineering Materials}, volume = {22}, year = {2020}, month = {DEC}, pages = {2000458}, type = {Article}, abstract = {

Preparation of 3D scaffolds for bone tissue engineering (BTE) is a challenging task as it requires appropriate pore size and porosities, mechanical properties, and controlled bioerosion rate. The focus of this work is the fabrication of silk fibroin (SF) 3D microparticle scaffolds with the incorporation of hydroxyapatite (HA) and calcium sulfate (CaS) as bioceramics. Physicochemical characterization shows approximate to 30\% filler loading and approximate to 40\% optimum porosity with \>100 mu m pore size for these filled/unfilled scaffolds. Nanoindentation studies show improved Young{\textquoteright}s modulus at microparticle level with the incorporation of bioceramics. SF-HA scaffolds showed three fold increase in Young{\textquoteright}s modulus, whereas SF-CaS showed two fold increase. In vitro bioerosion study results in early bioerosion with SF-CaS scaffold, whereas prolonged bioerosion with SF-HA scaffold. In vitro osteoregenerative potential is analyzed by estimating alkaline phosphatase (ALP), bone morphogenetic protein-2 (BMP-2), and osteocalcin (OCN). SF CaS supports early stage differentiation while SF 50\% HA predominantly supports late stage. The expression of TNF-alpha suggests a reduced risk of immune rejection. This work, therefore, concludes that although SF supports bone tissue regeneration, the choice of bioceramic enhances the applicability in various clinical scenarios by providing a controlled bioerosion rate, tunable speed of osteoregeneration, and improved load bearing capacities.

}, keywords = {bioceramics, bioerosion, osteogenic differentiation, Silk fibroin, stem cells}, issn = {1438-1656}, doi = {10.1002/adem.202000458, Early Access Date = AUG 2020}, author = {Parekh, Nimisha A. and Deshpande, V. Rucha and Shukla, Swati G. and Nisal, Anuya A.} } @article {46608, title = {Silver-catalyzed cascade cyclization/1,6-conjugate addition of homopropargyl sulfonamides to p-quinone methides: an approach to diverse 3-diarylmethine substituted dihydropyrroles}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {DEC }, pages = {15038-15050}, type = {Article}, abstract = {

A silver-catalyzed cycloisomerization/1,6-conjugate addition of homopropargyl sulfonamides to p-quinone methides to access diverse diarylmethine substituted dihydropyrroles has been disclosed. The reaction pathway involves an intramolecular cascade cyclization of homopropargyl sulfonamides to generate a highly reactive dihydropyrrole intermediate in situ followed by conjugate addition with p-quinone methides. This method provides an efficient and scalable route for the synthesis of 3-diarylmethine substituted dihydropyrroles, in one pot.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c01922}, author = {Shirsath, Sachin R. and Ghotekar, Ganesh S. and Bahadur, Vir and Gonnade, Rajesh G. and Muthukrishnan, M.} } @article {47784, title = {Simultaneous determination of anthraquinone, flavonoids, and phenolic antidiabetic compounds from cassia auriculata seeds by validated UHPLC based MS/MS method}, journal = {Mass Spectrometry Letters}, volume = {11}, year = {2020}, month = {DEC}, pages = {82-89}, type = {Article}, abstract = {A systematic isolation and characterization study for Cassia auriculata (CA) seeds resulted in identifying antidiabetic compounds 1,3,8-trihydroxyanthraquinone and quercetin, quercetin-3-O-rutinoside, gallic acid, caffeic acid, ferulic acid, and ellagic acid. The ultra-high-performance liquid chromatography based triple quadrupole mass spectrometry methodology was developed and validated for simultaneous identification and confirmation of these compounds from CA seeds. Multiple reaction monitoring (MRM) based quantification method was developed with MRM optimizer software for MS1 and MS2 mass analysis. The method was optimized on precursor ions and product ions with the ion ratio of each compound. The calibration curves of seven bioactive analytes showed excellent linearity (r2 >= 0.99). The quantitation results found precise (RSD, < 10 \%) with good recoveries (84.58 to 101.42\%). The matrix effect and extraction recoveries were found within the range (91.66 to 102.11\%) for the CA seeds. This is the first MS/MS-based methodology applied to quantifying seven antidiabetic compounds in CA seeds and its extract for quality control purposes.}, doi = {10.5478/MSL.2020.11.4.82}, author = {Girme, Aboli and Saste, Ganesh and Chinchansure, Ashish and Joshi, Swati and Kunkulol, Rahul and Hingorani, Lal and Patwardhan, Bhushan} } @article {47137, title = {Simultaneous identification and estimation of glycyrrhizin, glabridin, and 18β-glycyrrhetinic acid in de-glycyrrhized Ayurvedic lipid-based formulation of Glycyrrhiza glabra using dual wavelength reverse phase-high-performance liquid chromatography }, journal = {Separation Science Plus}, volume = {3}, year = {2020}, month = {AUG}, pages = {460-471}, abstract = {

Plant-based Ayurvedic formulations such as medicated oils, confectioneries, etc. are developed with a rationale of selecting specific compounds for targeted action and minimal side effects. It is imperative to develop an analytical method to simultaneously identify and quantify the targeted compounds for good resolution with low retention time. The present assay using reverse phase-high-performance liquid chromatography is optimized to resolve glycyrrhizin, glabridin, and 18β-glycyrrhetinic acid simultaneously at retention times of 6.6, 8.1, and 10.2\ min, respectively, using acidified mobile phase from Glycyrrhiza glabra utilized in Ayurvedic lipid (cow{\textquoteright}s ghee and sesame oil) based formulations. Raw material, its decoction, and residues formed during preparation steps were extracted in methanol while lipid formulations were extracted using a binary solvent system of methanol and n-hexane. The separation was performed on Hypersil gold column maintained at 40{\textdegree}C using 0.2\% ortho-phosphoric acid with pH 3.5 in water and acetonitrile as binary gradient mobile phase. The compounds were detected at wavelengths 230 (glabridin) and 254 (glycyrrhizin and 18β-glycyrrhetinic acid) nm. The method revealed de-glycyrrhized finished products containing glabridin and 18β-glycyrrhetinic acid having medicinal value.

}, doi = {10.1002/sscp.202000015}, author = {Kumbhalkar, Bhagyashri and Walunj, Tanhaji and Chavan, Sandeep and Gupta, Vidya and Deshmukh, Vineeta and Sardeshmukh, Sadanand} } @article {46701, title = {Site speci fic nitrogen incorporation in reduced graphene oxide using imidazole as a novel reducing agent for ef ficient oxygen reduction reaction and improved supercapacitive performance}, journal = {Carbon}, volume = {166}, year = {2020}, month = {SEP }, pages = {361-373}, type = {Article}, issn = {0008-6223}, doi = {10.1016/j.carbon.2020.05.011}, author = {Roy, Dipayan and Sarkar, Saikat and Bhattacharjee, Kaustav and Panigrahi, Karamjyoti and Das, Bikram Kumar and Sardar, Kausik and Sarkar, Sourav and Chattopadhyay, Kalyan Kumar} } @article {46652, title = {Solution-phase hybrid passivation for efficient infrared-band gap quantum dot solar cells}, journal = {ACS Applied Materials \& Interfaces}, volume = {12}, year = {2020}, month = {NOV }, pages = {49840-49848}, type = {Article}, abstract = {

The broad tunability of the energy band gap through size control makes colloidal quantum dots (QDs) promising for the development of photovoltaic devices. Large-size lead sulfide (PbS) QDs, exhibiting a narrow energy band gap, are particularly interesting as they can be used to augment perovskite and c-Si solar cells due to their complementary NIR absorption. However, their complex surface chemistry makes them difficult to process for the development of solar cells. The shape of the QDs transformed from octahedron to cuboctahedron as their size increases, a phenomenon guided by surface energy minimization. As a result, the surface properties change drastically for large-size QDs, which exhibit nonpolar (200) facets and polar (111) facets, as opposed to only (111) facets in small-size QDs. Recent advancements in solution-phase surface passivation strategies, used for the development of high-performance solar cells using the small size and wide band gap QDs, failed to translate a similar enhancement in the case of large-size and narrow band gap QDs. Here, we report a hybrid passivation strategy for large-size and narrow band gap QDs to passivate both (111) and (200) facets, respectively, using inorganic lead triiodide (PbI3-) and organic 3-chloro-1-propanethiol (CPT). By employing charge balance calculation, we identified the desired narrow band gap for QDs to complement the perovskite and c-Si absorption. The distinct choice of the organic ligand CPT enhances the colloidal stability of QDs in the solution phase and improves surface passivation to stop QD fusion in solid films. Photophysical properties show narrower excitonic and emission peaks and a reduction in the Stokes shift. Hybrid passivation leads to a 94\% increase in the power conversion efficiency of solar cells and a 74\% increase in the external quantum efficiency at the excitonic peak.

}, keywords = {infrared band gap, polydispersity, quantum dot, solar cells, surface passivation, trap states}, issn = {1944-8244}, doi = {10.1021/acsami.0c15703}, author = {Mahajan, Chandan and Sharma, Ashish and Rath, Arup K.} } @article {46715, title = {Spectroscopic evidences for the size dependent generation of pd species responsible for the low temperature CO oxidation activity on Pd-SBA-15 nanocatalyst}, journal = {Applied Catalysis B-Environmental}, volume = {272}, year = {2020}, month = {SEP }, pages = {118934}, type = {Article}, abstract = {

A comprehensive size dependent CO oxidation activity has been demonstrated for Pd-SBA-15 catalysts with Pd NPs of varying sizes such as 1-2, 4-6 and 7-10 nm. Pd-SBA-15 catalyst with smallest sized NPs (Pd-S-N) has been synthesized by modified deposition precipitation method recently developed in our lab. Pd-S-N catalyst (reduced at 400 degrees C) demonstrated CO oxidation activity with lower light off temperature (50 degrees C), clearly one of the best reported for a Pd-silica system. A detailed XPS and in-situ DRIFTS analyses further supported by XAS and DFT calculations reveal the presence of easily decomposable highvalent Pd-oxide on co-ordinatively unsaturated Pd sites (Pdcus). Weak binding of CO on Pdcus sites in small Pd NPs leaving sites for oxygen activation is attributed to the low temperature activity of Pd-S-N for CO oxidation.

}, keywords = {CO oxidation, high-valent Pd species, Pd nanoparticles, SBA-15, under coordinated Pd atoms}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2020.118934}, author = {Soni, Yogita and Pradhan, Sumanta and Bamnia, Mahesh K. and Yadav, A. K. and Jha, S. N. and Bhattacharyya, D. and Khan, Tuhin Suvra and Haider, M. A. and Vinod, C. P.} } @proceedings {47327, title = {Spectroscopic probe of atomically thin domains of CVD-grown MoSe2}, volume = {2265}, year = {2020}, month = {NOV}, publisher = {AIP}, abstract = {
Since the discovery of graphene, two-dimensional Layered Transition Metal Dichalcogenides (TMDCs) such as MoS2, MoSe2, and WS2\ having a tunable bandgap, have emerged as one of the most stable classes of materials making them attractive for various applications. We have investigated the growth mechanism and shape evolution of various domains of CVD-grown MoSe2\ on insulating substrates by spectroscopic techniques. The different morphologies were analyzed using Raman and photoluminescence spectroscopies. The transformation from the precursor MoO3\ to MoSe2\ is found to depend on a number of growth parameters and experimental conditions.

}, doi = {10.1063/5.0017096}, author = {Singh, Vineeta and Late, Dattatray J. and Rath, Shyama} } @article {46815, title = {Sphingomyelin effects in caveolin-1 mediated membrane curvature published as part of the journal of physical chemistry virtual special issue {\textquoteleft}{\textquoteleft}computational and experimental advances in biomembranes{\textquoteright}{\textquoteright}}, journal = {Journal of Physical Chemistry B}, volume = {124}, year = {2020}, month = {JUN}, pages = {5177-5185}, type = {Article}, abstract = {

The caveolin-1 (cav-1) protein is an integral component of caveolae and has been reported to colocalize with cholesterol and sphingomyelin-rich curved membrane domains. Here, we analyze the molecular interactions between cav-1 and sphingomyelin containing bilayers using a series of coarse-grain simulations, focusing on lipid clustering and membrane curvature. We considered a palmitoylated-cav-1 construct interacting with phospholipid/cholesterol membranes with asymmetrically distributed sphingomyelin, varying between 5 and 15\% in total. We observe that cav-1 binds to the intracellular leaflet and induces a small positive curvature in the leaflet to which it is bound and an opposing negative curvature in the extracellular leaflet. Both cholesterol and sphingomyelin are observed to cluster in cav-1 bound membranes, mainly in the extracellular leaflet. Due to their negative spontaneous curvature, clustering of cholesterol and sphingomyelin facilitates membrane curvature such that the extent of either cholesterol or sphingomyelin clustering is dependent on the curvature induced. Our results suggest that cav-1 binding induces concentration-dependent curvature effects in sphingomyelin-rich membranes. Overall, our work is an important step in understanding the molecular basis of curvature and lipid clustering in cav1 bound cellular membranes.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c02962}, author = {Krishna, Anjali and Prakash, Shikha and Sengupta, Durba} } @article {46599, title = {Stepwise nucleophilic substitution to access saturated N-heterocyclic carbene haloboranes with boron-methyl bonds}, journal = {Organometallics}, volume = {39}, year = {2020}, month = {DEC}, pages = {4696-4703}, type = {Article}, abstract = {

Compounds of boranes with N-heterocyclic carbenes are known, yet little attention has been paid to NHC compounds of boron bearing methyl and halogen moieties together. The reason can be attributed to the hazardous methyldichloroborane (MeBCl2), which ignites in air. We describe here convenient solution-phase access to SIDipp.MeBCl2 (SIDipp = 1,3-bis(2,6-diisopropylphenyl)imidazolin-2-ylidene) (3) by a salt metathesis reaction of SIDipp.BCl3 (2) with MeLi. Replacement of the chlorine atoms of 3 with stepwise addition of AgOTf led to the formation of SIDipp.MeBCl(OTf) (4) and SIDipp.MeB(OTf)2 (5). In the case of 4, all of the substituents on the boron atom are different. Subsequently, we extended our synthetic approach to the amidinate system and prepared PhC(NtBu)2B(Me)Cl (7) from the reaction of PhC(NtBu)2BCl2 (6) with MeLi.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.0c00691}, author = {Kundu, Gargi and Pahar, Sanjukta and Tothadi, Srinu and Sen, Sakya S.} } @article {46969, title = {Stress-induced electronic structure modulation of manganese-incorporated Ni2P leading to enhanced activity for water splitting}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {FEB}, pages = {1271-1278}, type = {Article}, abstract = {

The cornerstone of the emerging hydrogen economy is hydrogen production by water electrolysis with concomitant oxygen generation. Incorporating a third element in metal phosphides can tune the crystalline and electronic structure, hence improving the electrocatalytic properties. In this work, Mn-doped Ni2P with varying ratios of Mn and Ni has been explored as excellent catalysts for water splitting. A complete cell made of the best catalyst Ni1.5Mn0.5P electrodes showed low voltage of 1.75 V at a current density of 10 mA cm(-2) due to enhanced electrical conductivity, induction of tensile stress, enhanced electrochemical surface area, and increased electric dipole upon Mn incorporation.

}, keywords = {Electronic Structure, hydrogen evolution reaction, Oxygen Evolution Reaction, phosphides, water splitting}, issn = {2574-0962}, doi = {10.1021/acsaem.9b02097}, author = {Sarkar, Shreya and Dheer, Lakshay and Vinod, C. P. and Thapa, Ranjit and Waghmare, V. Umesh and Peter, Sebastian C.} } @article {46693, title = {Structural and enzymatic analysis of a dimeric cholylglycine hydrolase like acylase active on N-acyl homoserine lactones}, journal = {Biochimie}, volume = {177}, year = {2020}, month = {OCT}, pages = {108-116}, type = {Article}, abstract = {

The prevalence of substrate cross-reactivity between AHL acylases and beta-lactam acylases provides a glimpse of probable links between quorum sensing and antibiotic resistance in bacteria. Both these enzyme classes belong to the N-terminal nucleophile (Ntn)-hydrolase superfamily. Penicillin V acylases alongside bile salt hydrolases constitute the cholylglycine hydrolase (CGH) group of the Ntn-hydrolase superfamily. Here we report the ability of two acylases, Slac1 and Slac2, from the marine bacterium Shewanella loihica PV4 to hydrolyze AHLs. Three-dimensional structure of Slac1 reveals the conservation of the Ntn hydrolase fold and CGH active site, making it a unique CGH exclusively active on AHLs. Slac1homologs phylogenetically cluster separate from reported CGHs and AHL acylases, thereby representing a functionally distinct sub-class of CGH that might have evolved as an adaptation to the marine environment. We hypothesize that Slac1 could provide the structural framework for understanding this subclass, and further our understanding of the evolutionary link between AHL acylases and beta-lactam acylases. (C) 2020 Elsevier B.V. and Societe Francaise de Biochimie et Biologie Moleculaire (SFBBM). All rights reserved.

}, keywords = {AHL acylase, Cholyolglycine hydrolase, Homodimer, Ntn-fold, Shewanella loihica-PV4}, issn = {0300-9084}, doi = {10.1016/j.biochi.2020.07.017}, author = {Philem, Pushparani D. and Yadav, Yashpal and Sunder, Avinash Vellore and Ghosh, Deepanjan and Prabhune, Asmita and Ramasamy, Sureshkumar} } @article {46636, title = {Structural and physical analysis of underwater silk from housing nest composites of a tropical chironomid midge}, journal = {International Journal of Biological Macromolecules}, volume = {163}, year = {2020}, month = {NOV }, pages = {934-942}, type = {Article}, abstract = {

Chironomids are an abundant group of aquatic silk spinning insects. They offer a unique opportunity of silk harvestation without killing them; however, they remained underappreciated models in silk research. Here, we investigate the structural and biomechanical characteristics of silk from the midge, Chironomus ramosus. A combination of microscopic (SEM), spectroscopic (CD and IR), structural (XRD), thermal (DSC and TGA) and mechanical measurement tools and techniques were employed to gain critical insights on midge silk. Maximum yield of silk was obtained from Chironomus in similar to 2.5 h, the shortest time reported among insects. The network of water-insoluble silk fibres possessed the smallest diameter of 110 +/- 35 nm, known for any insect silk, qualifying its superiority in fibre fineness. We demonstrate a cruelty-free silk extraction method in contrast to the conventional violent techniques. Structural characterization indicated coexistence of various secondary conformations, beta sheets being predominant. We compare and contrast these features to well-characterized caddisfly and silk-worm silks and highlight the uniqueness in midge silk that render mechanical stability and potentially contribute to its multi-functionalization. We thus propose Chironomus as an emerging candidate of water-borne silk, especially in the context of the {\textquoteleft}Peace silk{\textquoteright} industry, aiming to develop non-violent methods for silk harvestation from animals. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {biopolymer, Chironomus, Commercial applications, Housing nest composite, Peace silk, Underwater silk}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2020.07.070}, author = {Thorat, Leena and Joseph, Emmanuel and Nisal, Anuya and Shukla, Ekta and RaviKumar, Ameeta and Nath, Bimalendu B.} } @article {46846, title = {Structural, electrochemical and catalytic activity of Prussian blue analogues embedded with functionalized carbon for solid state battery applications}, journal = {International Journal of Hydrogen Energy}, volume = {45}, year = {2020}, month = {MAY}, pages = {15317-15326}, type = {Article}, abstract = {

The nanoparticles of Mn-1.5[Cr(CN)(6)]center dot mH(2)O@Ni-1.5[Cr(CN)(6)]center dot nH(2)O core-shell prussian blue analogues (PBA) embedded with carbon additives (PBA-C) were synthesized and characterized as electrode material for solid state battery application. The impedance spectroscopy and cyclic voltametry were used to study the electrochemical properties by adding functionalized carbon in 1:1 proportion to improve the electrical performance. The value of room temperature electrical conductivity of core-shell PBA and core-shell nanoparticles mixed with vulcan carbon (PBA-C) are found to be 1.574 x 10(-3) and 1.92 x 10(-3) Scm(-1), respectively. Using Li2La3Zr2O12 (LZZO) electrolyte, single cell was fabricated with PBA-C material, and studied its charging-discharging cycles, which exhibits higher current density with stable performance for 400 cycles for time slots of 400 min. The study reveals that the PBA core-shell nanoparticles mixed with carbon (PBA-C) may be a potential candidate as an electrode material in the form of a single cell using LZZO electrolyte. (C) 2020 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {cyclic voltametry, Electrolyte, Prussian blue analogues (PBA), Solid state battery, XPS}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2020.03.244}, author = {Shaikh, Shabana P. S. and Bhatt, Pramod and Yusuf, S. M. and Bhange, S. N. and Bansod, Sudhakar and Abdalla, Abdalla M.} } @article {46914, title = {Structural studies on 10-hydroxygeraniol dehydrogenase: a novel linear substrate-specific dehydrogenase from Catharanthus roseus}, journal = {Proteins-Structure Function and Bioinformatics}, volume = {88}, year = {2020}, month = {SEP}, pages = {1197-1206}, type = {Article}, abstract = {

Conversion of 10-hydroxygeraniol to 10-oxogeranial is a crucial step in iridoid biosynthesis. This reaction is catalyzed by a zinc-dependent alcohol dehydrogenase, 10-hydroxygeraniol dehydrogenase, belonging to the family of medium-chain dehydrogenase/reductase (MDR). Here, we report the crystal structures of a novel 10-hydroxygeraniol dehydrogenase from Catharanthus roseus in its apo and nicotinamide adenine dinucleotide phosphate (NADP(+)) bound forms. Structural analysis and docking studies reveal how subtle conformational differences of loops L1, L2, L3, and helix alpha 9{\textquoteright} at the orifice of the catalytic site confer differential activity of the enzyme toward various substrates, by modulating the binding pocket shape and volume. The present study, first of its kind, provides insights into the structural basis of substrate specificity of MDRs specific to linear substrates. Furthermore, comparison of apo and NADP(+) bound structures suggests that the enzyme adopts open and closed states to facilitate cofactor binding.

}, keywords = {10-hydroxygeraniol dehydrogenase, iridoid biosynthesis, medium-chain dehydrogenase, monoterpene indole alkaloids, reductase, X-ray crystallography}, issn = {0887-3585}, doi = {10.1002/prot.25891, Early Access Date = MAR 2020}, author = {Sandholu, Anand S. and Mujawar, Sharmila P. and Ramakrishnan, Krithika and Thulasiram, Hirekodathakallu V. and Kulkarni, Kiran} } @article {46656, title = {Structure and regulation of SWEET transporters in plants: an update}, journal = {Plant Physiology and Biochemistry}, volume = {156}, year = {2020}, month = {NOV}, pages = {1-6}, type = {Review}, abstract = {

Sugar will eventually be exported transporters (SWEETs), a novel family of sugar transporters found in both eukaryotes and prokaryotes, facilitate sugar flux across the cell membrane. Although these transporters were first discovered in plants, their homologs have been reported in different organisms. SWEETs have critical roles in various developmental processes, including phloem loading, nectar secretion, and pathogen nutrition. The structure of bacterial homologs, called SemiSWEETs, has been well studied thus far. Here, we provide an overview of SWEET protein structure and dynamic function by analyzing the solved crystal structures and predicted models that are available for a few SWEETs in a monocot plant (rice) and dicot plant (Arabidopsis thaliana). Despite the advancement in structure-related studies, the regulation of SWEETs remains unknown. In light of reported regulatory mechanisms of a few other sugar transporters, we propose the regulation of SWEETs at the post-translational level. We then enumerate the potential post-translational modification sites in SWEETs using computational tools. Overall, in this review, we critically analyze SWEET protein structure in plants to predict the post-translational regulation of SWEETs. Such findings have a direct bearing on plant nutrition and defense and targeting the regulation at these levels will be important in crop improvement.

}, keywords = {oligomerization, Phosphorylation, Post-translational modification, Sugar transporters, Sugar will eventually be exported transporters}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2020.08.043}, author = {Anjali, Anjali and Fatima, Urooj and Manu, M. S. and Ramasamy, Sureshkumar and Senthil-Kumar, Muthappa} } @article {46938, title = {Study of interfacial adhesion between nickel-titanium shape memory alloy and a polymer matrix by laser surface pattern}, journal = {Applied Sciences-Basel}, volume = {10}, year = {2020}, month = {MAR}, pages = {2172}, type = {Article}, abstract = {

The aim of this article is to investigate the interfacial adhesion of Ni-Ti shape memory alloy with a polymer matrix of Poly (methyl methacrylate) (PMMA). The surface pattern on Ni-Ti plates was channeled by a solid state laser machine. The laser machine allows for creating channels on the Ni-Ti surface for infiltration of the PMMA matrix, which could be attached as an intra-surface locking pattern to the Ni-Ti surface. The influence of the PMMA matrix on the surface of the NiTi plate was evaluated by thermomechanical analysis (TMA) and dynamic mechanical analysis (DMA). The surface characterization was carried out by an optical microscope on the PMMA/NiTi composite after mechanical testing. During mechanical testing, the polymer displays the multiple cracks in the longitudinal direction that result in slipping and fracture. TMA and DMA analyses were performed on the Ni-Ti- and PMMA-coated Ni-Ti ribbon to observe elasticity and the storage modulus for both samples. Better adhesion than 80 \% was observed in the Ni-Ti surface, in the laser surface pattern, in comparison to the free plain surface. However, the polymer acts as mechanical backing that caused a reduction in the shape-memory properties of the composite material.

}, keywords = {adhesion, mechanical properties, NiTi composites, NiTi plate, PMMA, Polymer, surface features}, doi = {10.3390/app10062172}, author = {Samal, Sneha and Tyc, Ondrej and Heller, Ludek and Sittner, Petr and Malik, Monika and Poddar, Pankaj and Catauro, Michelina and Blanco, Ignazio} } @article {46736, title = {Sunlight assisted improved photocatalytic degradation of rhodamine B using Pd-loaded g-C3N4/WO(3)nanocomposite}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {126}, year = {2020}, month = {AUG}, pages = {724}, type = {Article}, abstract = {

Effective photocatalytic degradation of organic toxic dyes from industrial effluents using low-cost nanomaterials as a photocatalyst under sunlight promises for water purification and environmental recovery. The present work is focused on the synthesis of Palladium (Pd) loaded g-C3N4/WO(3)nanocomposite using a facile method and its photocatalytic degradation of Rhodamine B (RhB) using under sunlight. The results of the photocatalytic dye degradation experiment show that Pd loaded g-C3N4/WO(3)nanocomposite photocatalyst degrades 98\% of RhB in 40 min of sunlight illumination. This remarkable photocatalytic degradation performance of Pd loaded g-C3N4/WO(3)nanocomposite mainly attributed due to their intrinsic photocatalytic activity and co-existence of enhanced light absorbance and efficient charge transfer process in between the g-C3N4/WO(3)heterojunction. The durability testing experiments indicate that Pd loaded g-C3N4/WO(3)nanocomposite photocatalyst could be effectively reused and possesses high photochemical structural stability even after several recycle process. Present experimental results demonstrated highly encouraging photo-degradation response of Pd loaded g-C3N4/WO(3)nanocomposite photocatalyst at outdoor conditions paves the way for the development of energy conversion and environmental remediation process.

}, keywords = {Nanocomposite, Palladium loading, Photocatalysis, Photodegradation, Rhodamine B, Sunlight}, issn = {0947-8396}, doi = {10.1007/s00339-020-03914-7}, author = {Alman, Vidya and Singh, Kirti and Bhat, Tejasvinee and Sheikh, Arif and Gokhale, Suresh} } @article {46786, title = {SWATH-MS based quantitative proteomics analysis to evaluate the antileishmanial effect of Commiphora wightii- Guggul and Amphotericin B on a clinical isolate of Leishmania donovani}, journal = {Journal of Proteomics}, volume = {223}, year = {2020}, month = {JUL }, pages = {103800}, type = {Article}, abstract = {

The present study provides comprehensive proteomics analyses of the response of L. donovani parasite to pharamacological stress in vitro. Identification of differentially expressed proteins with associated molecular functions and metabolic pathways, clearly provides an insight into the potential mechanism of the antileishmanial effects as well as a comparative response of the parasite to Guggul and AmB. Treatment of parasite with AmB results in an enhanced modulatory mechanism to counteract the drug induced stress which may have contributed to relapse. In the case of Guggul treatment, an effective antipromastigote activity was observed, which is being reported for the first time. Thus, a deeper understanding of the molecular pathways in the Leishmania parasite in response to pharmacological stress would help in designing novel and effective strategies in targeting the key molecules essential for parasite survival. It will also help in screening of new lead molecules targeting these vital pathways which could be used as an adjunct therapy along with the limited repertoire of antileishmanial drugs.

}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.103800}, author = {Bar Routaray, Chinmayee and Bhor, Renuka and Bai, Shakuntala and Kadam, Nitin Suryakant and Jagtap, Surabhi and Doshi, Pooja Jignesh and Sundar, Shyam and Sawant, Sangeeta and Kulkarni, Mahesh J. and Pai, Kalpana} } @article {46735, title = {Synthesis and antimycobacterial screening of new 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-3-yl)quinoline derivatives}, journal = {Journal of Heterocyclic Chemistry}, volume = {57}, year = {2020}, month = {NOV}, pages = {3918-3929}, type = {Article}, abstract = {

A new series of 4-(4-(1-benzyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-3-yl)quinoline (6a-t) have been synthesized by a click reaction of 4-(4-ethynyl-1-phenyl-1H-pyrazol-3-yl)quinoline (4a-d) with a substituted benzyl azide (5a-e). The starting alkyne derivatives4a-dare obtained from Bestmann-Ohira reaction of 1-phenyl-3-(quinolin-4-yl)-1H-pyrazole-4-carbaldehyde and dimethyl(1-diazo-2-oxopropyl)phosphonate. The newly synthesized compounds are screened againstM. tuberculosisH37Ra dormant and active,Escherichia coli,Pseudomonas fluorescence,Staphylococcus aureusandBacillus subtilisstrains at 30 mu g/mL concentration. Most of the screened compounds showed good to moderate antibacterial activity againstS. aureus,B. subtilis, andMycobacterium tuberculosisH37Ra strains. The synthesized derivatives of quinolinyl-pyrazole-4-carbaldehyde and quinolinyl-pyrazole-4-ethyne reportd good to moderate activity against both strains ofM. tuberculosisH37Ra. Ten derivatives of quinolinyl-pyrazole presented good activity againstB. subtilis. These results suggested that further optimization and development of quinolinyl-pyrazolyl-1,2,3-triazole moeity could serve as lead compounds for antimycobacterial activity.

}, issn = {0022-152X}, doi = {10.1002/jhet.4101, Early Access Date = AUG 2020}, author = {Thakare, Prashant P. and Walunj, Yogesh and Chavan, Abhijit and Bobade, Vivek D. and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {46864, title = {Synthesis and biological activity of imidazole based 1,4-naphthoquinones}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {MAY }, pages = {6889-6901}, type = {Article}, abstract = {

Design and development of drugs in multi-drug resistant (MDR) infections have been of growing interest. We report the syntheses, and antibacterial and antifungal activities of imidazole-based 1,4-naphthoquinones (I-1 to I-4; 1-alkyl-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione (alkyl = methyl to butyl)) and their precursors (B-3; N-(3-chloro-1,-dioxo-1,4-dihydronaphthalen-2-yl)acetamide) and A-1 to A-4; N-(3-(alkylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)acetamide (alkyl = methyl to butyl). Crystal structures of B-3, A-1 to A-3 and I-2 to I-4 were obtained through single crystal X-ray diffraction experiments. Electronic structure and charge distribution have further been characterized with the use of Density Functional Theory. Seven of these derivatives display a broad spectrum of antibacterial activity against few selected bacterial strains (Gram-positive and Gram-negative). As demonstrated MIC values with B-2 and B-3 against bacterial isolates were 8-64 mu g ml(-1) and those against pathogenic yeast, C. albicans, were observed in the range of 128-256 mu g ml(-1). MIC data of these derivatives suggest them to be promising against pathogens.

}, issn = {1144-0546}, doi = {10.1039/c9nj04339j}, author = {Choudhari, Dinkar and Salunke-Gawali, Sunita and Chakravarty, Debamitra and Shaikh, Samir R. and Lande, Dipali N. and Gejji, Shridhar P. and Rao, Pradeep Kumar and Satpute, Surekha and Puranik, Vedavati G. and Gonnade, Rajesh} } @article {47312, title = {Synthesis, crystal structure and Hirshfeld surface analysis of the hydrated form of N{\textquoteright}, N-(1,4-phenylenebis(methanylylidene) di(iso-nicotinic hydrazide)}, journal = {Chemical Data Collections}, volume = {28}, year = {2020}, month = {AUG}, type = {Article}, abstract = {

The title compound, C20H16N6O2\ was synthesized by reflux with isonicotinic hydrazide and terephthaldehyde in ethanol solvent with the acidic condition. The single-crystal X-ray structure determination of the title compound,\ N, N-(1,4-phenylene bis (methanylylidene) di(iso-nicotinic hydrazide), reveals that the molecule crystallizes in center of symmetry with water molecules (Dihydrated form, C20H16N6O2.2H2O) through N-H...O and C-H...O hydrogen bondings. Further, the crystal structure is stabilized by O-H...O and weak C-H...N hydrogen bondings with the formation of infinite chain and dimer. Further, surface analysis and fingerprint plot reveal that the significant hydrogen bonding such as H{\textbullet}{\textbullet}{\textbullet}O (15.9\%) and N{\textbullet}{\textbullet}{\textbullet}H (11.4\%) interactions play the most crucial role for its molecular packing.

}, doi = {10.1016/j.cdc.2020.100401}, author = {Ingle, Kapil S. and Mohurle, Smital A. and Bairagi, Keshab M. and Shaikh, Tabrez R. and Venugopala, Katharigatta N. and Chandrashekharappa, Sandeep and Gonnade, Rajesh G. and Nayak, Susanta K.} } @article {46912, title = {Synthesis of artemisinic acid derived glycoconjugates and their anticancer studies}, journal = {Organic \& Biomolecular Chemistry}, volume = {18}, year = {2020}, month = {MAR}, pages = {2252-2263}, type = {Article}, abstract = {

Glycoconjugates, due to their diverse functions, are widely regarded as biologically important molecules. Artemisinic acid 1 occurs naturally in the plant Artemisia annua and is considered to be the biogenetic precursor of the antimalarial drug, artemisinin 2. We report herein the design and synthesis of diverse artemisinic acid derived glycoconjugates. We have synthesized 12-O-artemisinic acid-glycoconjugates (7a-k) and 12-N-artemisinic acid-glycoconjugates (8a-k) by utilizing Cu(i)-catalyzed azide-alkyne cycloaddition reactions (Click chemistry) with various synthesized sugar azides (6a-k) in good to excellent yields along with two fluorescently labeled compounds, 12-O-artemisinic acid-glycoconjugate 11 and 12-N-artemisinic acid-glycoconjugate 12, to investigate the mode of action of these compounds in biological systems. All the synthesized artemisinic acid glycoconjugates were assayed for their efficacy against the MCF7 cell line. Our anticancer studies indicated that all the synthesized compounds inhibited the growth of MCF7 cells in a dose dependent manner, barring compounds 4 and 7d. However, these compounds exhibit moderate cytotoxicity, as is evident from their IC50 values.

}, issn = {1477-0520}, doi = {10.1039/d0ob00216j}, author = {Kotammagari, Tharun K. and Paul, Sayantan and Barik, Ganesh K. and Santra, Manas K. and Bhattacharya, Asish K.} } @article {46987, title = {Synthesis of deuterated isopentyl pyrophosphates for chemo-enzymatic labelling methods: GC-EI-MS based 1,2-hydride shift in epicedrol biosynthesis (Retraction of Vol 9, Pg 28258, 2019)}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JAN }, pages = {4189}, type = {Retraction}, abstract = {

Retraction of {\textquoteleft}Synthesis of deuterated isopentyl pyrophosphates for chemo-enzymatic labelling methods: GC-EI-MS based 1,2-hydride shift in epicedrol biosynthesis{\textquoteright} by Madhukar S. Said et al., RSC Adv., 2019, 9, 28258-28261.

}, doi = {10.1039/d0ra90009e}, author = {Said, Madhukar S. and Navale, Govinda R. and Gajbhiye, Jayant M. and Shinde, Sandip S.} } @article {46990, title = {Synthesis of high surface area porous carbon from anaerobic digestate and it{\textquoteright}s electrochemical study as an electrode material for ultracapacitors (vol 9, pg 36343, 2019)}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JAN}, pages = {3991}, type = {Correction}, abstract = {

Correction for {\textquoteleft}Synthesis of high surface area porous carbon from anaerobic digestate and it{\textquoteright}s electrochemical study as an electrode material for ultracapacitors{\textquoteright} by Vikash Chaturvedi et al., RSC Adv., 2019, 9, 36343-36350.

}, doi = {10.1039/d0ra90003f}, author = {Chaturvedi, Vikash and Usgaonkar, Saurabh and Shelke, Manjusha V.} } @article {46826, title = {Synthesis of novel of 2, 5-disubstituted 1, 3, 4-oxadiazole derivatives and their in vitro anti-inflammatory, anti-oxidant evaluation, and molecular docking study}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {30}, year = {2020}, month = {JUN}, pages = {127136}, type = {Article}, abstract = {

A series of novel 2, 5-disubstituted 1, 3, 4-Oxadiazole derivatives as a potential anti-inflammatory, and antioxidant agent were synthesized via cyclisation. Hydrazide molecule treated with substituted acids in the presence of phosphorus oxychloride (POCl3) as an efficient reagent as well as solvent by conventional method with shorter reaction time and excellent yield. The newly synthesized 1, 3, 4-oxadiazole derivatives exhibited excellent to good anti-inflammatory and anti-oxidant activities compaired to the standard drugs. Molecular docking study on the crucial anti-inflammatory target-cyclooxygenase-2 (COX-2) revealed the ability of the scaffold to correctly recognize the active site and achieve significant bonded and non-bonded interactions with key residues therein. This study could identify potential compounds which can be pertinent starting points for structure-based drug design to obtain newer anti-inflammatory agents.

}, keywords = {1, 3, 4-Oxadiazole, Anti-inflammatory, Anti-Oxidant, Biological activity, computational chemistry}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2020.127136}, author = {Kashid, Bharat B. and Salunkhe, Pravin H. and Dongare, Balasaheb B. and More, Kishor R. and Khedkar, Vijay M. and Ghanwat, Anil A.} } @article {46956, title = {Tale of biphenyl and terphenyl substituents for structurally diverse ketiminato magnesium, calcium and germanium complexes}, journal = {Chemistry-An Asian Journal}, volume = {15}, year = {2020}, month = {MAR}, pages = {820-827}, type = {Article}, abstract = {

In this paper, we have used two N,O-ketiminato ligands (L1 and L2) with biphenyl and terphenyl substituent on the nitrogen atom. Deprotonation of L1 with KN(SiMe3)(2) and subsequent reaction with MgI2 led to a homoleptic dinuclear magnesium complex (1) with a Mg2O2 four-membered ring. Deprotonation with nBuLi and subsequent reaction with MgI2 afforded a unusual dinuclear magnesium complex (2) with a Mg2O2 ring. Extension of the ligand for calcium resulted in a trinuclear calcium complex (3) with six four-membered Ca2O2 rings. We could not isolate any chelating complex when L2 was used as a ligand, and only oxygen bound magnesium (4) and calcium (5) adducts were isolated. DFT studies were performed to understand this dissimilar behavior. More diverse results were obtained when lithiated L1 and L2 were treated with germanium dichloride. We were able to stabilize a monomeric germylene monochloride (7) with L1. However, with L2, an unusual ligand scrambling, and a C-C coupling take place, leading to the formation of a secondary carbocation with GeCl3- as a counter-anion (8). Besides, a germanium dichloride adduct (9) bound to the oxygen center of the ligand was obtained as the minor product.

}, keywords = {calcium, Germylene, ligand, Magnesium, X-ray Structure}, issn = {1861-4728}, doi = {10.1002/asia.201901801, Early Access Date = FEB 2020}, author = {Kumar, Rohit and Yadav, Sandeep and Gour, Kritika and Sangtani, Ekta and Ranjan Dash, Soumya and Raja, Abhishekram and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47004, title = {TDR Targets 6: driving drug discovery for human pathogens through intensive chemogenomic data integration}, journal = {Nucleic Acids Research}, volume = {48}, year = {2020}, month = {JAN }, pages = {D992-D1005}, type = {Article}, abstract = {

The volume of biological, chemical and functional data deposited in the public domain is growing rapidly, thanks to next generation sequencing and highly-automated screening technologies. These datasets represent invaluable resources for drug discovery, particularly for less studied neglected disease pathogens. To leverage these datasets, smart and intensive data integration is required to guide computational inferences across diverse organisms. The TDR Targets chemogenomics resource integrates genomic data from human pathogens and model organisms along with information on bioactive compounds and their annotated activities. This report highlights the latest updates on the available data and functionality in TDR Targets 6. Based on chemogenomic network models providing links between inhibitors and targets, the database now incorporates network-driven target prioritizations, and novel visualizations of network subgraphs displaying chemical- and target-similarity neighborhoods along with associated target-compound bioactivity links. Available data can be browsed and queried through a new user interface, that allow users to perform prioritizations of protein targets and chemical inhibitors. As such, TDR Targets now facilitates the investigation of drug repurposing against pathogen targets, which can potentially help in identifying candidate targets for bioactive compounds with previously unknown targets. TDR Targets is available at https://tdrtargets.org.

}, issn = {0305-1048}, doi = {10.1093/nar/gkz999}, author = {Landaburu, Lionel Uran and Berenstein, Ariel J. and Videla, Santiago and Maru, Parag and Shanmugam, Dhanasekaran and Chernomoretz, Ariel and Aguero, Fernan} } @article {46741, title = {Terminal uridylyl transferase mediated site-directed access to clickable chromatin employing CRISPR-dCas9}, journal = {Journal of the American Chemical Society}, volume = {142}, year = {2020}, month = {AUG}, pages = {13954-13965}, type = {Article}, abstract = {

Locus-specific interrogation of target genes employing functional probes such as proteins and small molecules is paramount in decoding the molecular basis of gene function and designing tools to modulate its downstream effects. In this context, CRISPR-based gene editing and targeting technologies have proved tremendously useful, as they can be programmed to target any gene of interest by simply changing the sequence of the single guide RNA (sgRNA). Although these technologies are widely utilized in recruiting genetically encoded functional proteins, display of small molecules using CRISPR system is not well developed due to the lack of adequate techniques. Here, we have devised an innovative technology called sgRNA-Click (sgR-CLK) that harnesses the power of bioorthogonal click chemistry for remodeling guide RNA to display synthetic molecules on target genes. sgR-CLK employs a novel posttranscriptional chemoenzymatic labeling platform wherein a terminal uridylyl transferase (TUTase) was repurposed to generate clickable sgRNA of choice by site-specific tailoring of multiple azide-modified nucleotide analogues at the 3{\textquoteright} end. The presence of a minimally invasive azide handle assured that the sgRNAs are indeed functional. Notably, an azide-tailed sgRNA targeting the telomeric repeat served as a Trojan horse on the CRISPR-dCas9 system to guide synthetic tags (biotin) site-specifically on chromatin employing copper-catalyzed or strain-promoted click reactions. Taken together, sgR-CLK presents a significant advancement on the utility of bioorthogonal chemistry, TUTase, and the CRISPR toolbox, which could offer a simplified solution for site-directed display of small molecule probes and diagnostic tools on target genes.

}, issn = {0002-7863}, doi = {10.1021/jacs.0c06541}, author = {George, Jerrin Thomas and Azhar, Mohd and Aich, Meghali and Sinha, Dipanjali and Ambi, Uddhav B. and Maiti, Souvik and Chakraborty, Debojyoti and Srivatsan, Seergazhi G.} } @article {47022, title = {Theoretical study on cyclophane amide molecular receptors and its complexation behavior with TCNQ}, journal = {Journal of Photochemistry and Photobiology B-Biology}, volume = {203}, year = {2020}, month = {JAN}, pages = {111735}, type = {Article}, abstract = {

Complexation behavior of cyclophane amide molecular receptors towards 7,7,8,8-tetracyanoquinodimethane (TCNQ) studied. TD-B3LYP/6-31 + G(d,p) based density functional theory was employed to investigate the photophysical characteristics of the complexes obtained. Syn isomers of cyclophane amide molecular hosts show preferred conformation over other conformations. Molecular Orbital analysis indicates the electronic structure change, which reflects in the absorption spectra of the cyclophane amide-1@TCNQ, and cyclophane amide-2@TCNQ charge-transfer (CT) complexes. Binding energy studies with B3LYP-D3/6-31 + G (d,p) theory demonstrated that the more effective binding of the pyridine-2,6-dicarboxamide macrocycles than for their isophthalamide analogs. Both the CT complexes show intermolecular bifurcated hydrogen bonding (N-H-(host)center dot center dot center dot N-(guest)center dot center dot center dot H-N-(host)) interactions (2.06 to 2.08 angstrom), and pi((host))center dot center dot center dot pi((guest)) interactions (3.2 to 3.4 angstrom). Calculated BSSE corrected complexation energy (Delta E) be associated with the formation of the inclusion complexes in the range - 28 to similar to 37 kJ mol(-1), indicating spontaneity of host-guest complex formation in both the cases. From the calculated vibrational spectra of these complexes, the formation of inclusion complexes via N - H-(host)center dot center dot center dot N-(guest) and pi((host))center dot center dot center dot pi((guest)) intermolecular interactions established by the frequency shift in the N - H vibrations. Mulliken population analysis performed to recognize the CT process and the variation in charges between the free and complex TCNQ molecules suggests the intermolecular charge transfer. This study indicates that these cyclophane amides can be a decent CT complexation host for the guests like TCNQ.

}, keywords = {Absorption, Charge transfer complex, Cyclophane amides, Electrostatic potential surface, Host-guest, Molecular orbitals, Time-dependent density functional theory}, issn = {1011-1344}, doi = {10.1016/j.jphotobiol.2019.111735}, author = {Sundaram, Soma Sundaram Meenakshi and Karthick, Selvam and Sailaja, Krishnamurty and Karkuzhali, Rajendran and Gopu, Gopalakrishnan} } @article {46858, title = {Thermodynamic analysis and experimental validation of multi-composition ammonia liquor absorption engine cycle for power generation}, journal = {International Journal of Energy Research}, volume = {44}, year = {2020}, month = {DEC}, pages = {12430-12443}, type = {Article}, abstract = {

Energy conservation, utilization, and effective integration are of utmost importance for future sustenance. Accordingly, this work focuses on the generation of power from the low-grade temperature below 150 degrees C. A proposed novel multi-composition ammonia liquor absorption engine (MALAE) power cycle can be used toward the above purpose by supplying renewable energy obtained from low concentration type solar collectors. Proposed MALAE power cycle minimizes heal loss due to heat recovery and uses high purity NH3 vapors to expand through the isentropic turbine. MALAE power system is modeled and simulated using NH3-H2O as a working fluid for a reboiler temperature of 115 degrees C. The purpose of this work is to simulate the proposed MALAE power cycle with the distillation column and two solution heat exchanger (SHE). MALAE modeling and simulation is accomplished in SCILAB software. The simulation outcome is validated with the pilot-scale 5 kW experimental setup and validation showed +/- 5\% deviation. A comparison of MALAE cycle with published cycles signifies higher efficiency of MALAE cycle toward the utilization of low-grade energy from a temperature range of 100 degrees C to 150 degrees C. Finally, detailed parametric analysis of MALAE cycle efficiency is presented in terms of number of plates, distillation pressure and vapor flowrate, absorber temperature, pressure partial condenser temperature, and heat loads.

}, keywords = {absorption power cycle, ammonia water, low-temperature heat source, solar energy, Thermal Efficiency}, issn = {0363-907X}, doi = {10.1002/er.5463, Early Access Date = MAY 2020}, author = {Satpute, Satchidanand R. and Takalkar, Gorakshnath and Mali, Nilesh and Bhagwat, Sunil} } @article {46793, title = {TIAs pathway genes and associated miRNA identification in Vinca minor: supporting aspidosperma and eburnamine alkaloids linkage via transcriptomic analysis}, journal = {Physiology and Molecular Biology of Plants}, volume = {26}, year = {2020}, month = {AUG}, pages = {1695-1711}, type = {Article}, abstract = {

V. minorcontains monomeric eburnamine-type of indole alkaloids having utilization as a neuro-medicinal plant. The biosynthetic pathway studies using miRNAs has been the focal point for plant genomic research in recent years and this technique is utilized to get an insight into a possible pathway level study inV. minoras understanding of genes in this prized medicinal plant is meagrely understood. The de novo transcriptomic analysis using Illumina Next gen sequencing has been performed in glasshouse shifted plant and transformed roots to elucidate the possible non confirmed steps of terpenoid indole alkaloids (TIAs) pathway inV. minor. A putative TIA pathway is elucidated in the study including twelve possible TIAs biosynthetic genes. The specific miRNA associated with TIAs pathway were identified and their roles were discussed for the first time inV. minor. The comparative analysis of transcriptomic data of glasshouse shifted plant and transformed roots showed that the raw reads of transformed roots were higher (83,740,316) compared to glasshouse shifted plant (67,733,538). The EST-SSR prediction showed the maximum common repeats among glasshouse shifted plant and transformed roots, although small variation was found in trinucleotide repeats restricted to glasshouse shifted plant. The study reveals overall 37 miRNAs which were observed to be true and can have a role in pathway as they can regulate the growth and alkaloid production. The identification of putative pathway genes plays an important role in establishing linkage between Aspidosperma and Eburnamine alkaloids.

}, keywords = {de novo transcriptomic analysis, EST-SSR, miRNA, Terpenoid indole alkaloids, Vinca minor}, issn = {0971-5894}, doi = {10.1007/s12298-020-00842-x, Early Access Date = JUL 2020}, author = {Verma, Priyanka and Singh, Noopur and Khan, Shamshad Ahmad and Mathur, Ajay Kumar and Sharma, Ashok and Jamal, Farrukh} } @article {46950, title = {TiO2 nanoparticles decorated on BiOCl flakes with enhanced visible light photocatalytic activity}, journal = {ChemistrySelect}, volume = {5}, year = {2020}, month = {FEB }, pages = {2618-2626}, type = {Article}, abstract = {

Facile preparation route for BiOCl and BiOCl/TiO2 nanocomposites with TiO2 nanoparticles decorated on BiOCl flakes via solution combustion method is reported in the present paper. Structural, textural and optical properties of the prepared materials are extensively studied using various physicochemical characterization tools such as X-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), UV-vis spectroscopy (DRS), N-2 adsorption-desorption study (BET), photoluminescence spectroscopy (PL), etc. BiOCl/TiO2 nanocomposites show a red shift in the light absorption as compared to that of bare BiOCl which leads to the extended absorption in visible light region. Further photocatalytic experiments for Rhodamine B and phenol degradation demonstrate that the BiOCl/TiO2 nanocomposites have superior photocatalytic properties than bare BiOCl. Improved photocatalytic performance of BiOCl/TiO2 composites is attributed to the synergistic effect between BiOCl flakes and TiO2 nanoparticles, extended visible light absorption and delayed charge recombination.

}, keywords = {BiOCl, Hydoxyl radical evaluation, p-n heterojunction, phenol degradation, Photocatalysis, TiO2 nanocomposites}, issn = {2365-6549}, doi = {10.1002/slct.201904656}, author = {Shinde, Deepali S. and Bhange, Pallavi D. and Jha, Ratnesh K. and Bhange, Deu S.} } @article {46737, title = {TiO2-based water-tolerant acid catalysis for biomass-based fuels and chemicals}, journal = {ACS Catalysis}, volume = {10}, year = {2020}, month = {AUG}, pages = {9555-9584}, type = {Review}, abstract = {

Solid acid catalysts alone or in combination with redox metals play a pivotal role in biomass valorization to obtain alternative fuels and chemicals. In acid-catalyzed biomass conversions, water is a key reagent/byproduct that can induce leaching/poisoning of catalyst{\textquoteright}s acid species, a major problem toward catalyst recyclability and product purification. Thus, developing efficient water-tolerant solid acid catalysts is vital for viable biomass valorization. TiO2 is considered to be a promising water-tolerant solid acid catalyst for biomass conversions because of the presence of coordinatively unsaturated Ti4+ sites, which are robust and less prone to leaching in the aqueous medium. Besides, the synergistic combination of TiO2 with redox metals (Ru, Pd, Ni, Cu, etc.) provides abundant bifunctional acid-redox sites, which exhibit a favorable catalytic role in the deoxygenation of biomass molecules to practically useful hydrocarbons. Therefore, this review provides an overview of recent progress toward TiO2-based water-tolerant acid catalysis for biomass conversion, with a focus on hydrothermal stability of TiO2, its acidity, and catalysts{\textquoteright} synthesis methods. Various biomass conversions over TiO2-based catalysts, where water-tolerant acid sites or acid-redox dual sites show a significant catalytic effect, were discussed. Structure-activity relationships based on water-tolerant Lewis acidity of TiO2 were emphasized. We believe that this review will provide valuable information for developing efficient water-tolerant solid acid catalysts not only for biomass valorization but also for other challenging reactions in the aqueous medium.

}, keywords = {Acid catalysis, acid-redox catalysis, Biomass conversion, renewable fuels and chemicals, TiO2-based catalysts, water-tolerant Lewis acidity}, issn = {2155-5435}, doi = {10.1021/acscatal.0c01680}, author = {Sudarsanam, Putla and Li, Hu and Sagar, Tatiparthi Vikram} } @article {47008, title = {Ti-superoxide catalyzed oxidative amidation of aldehydes with saccharin as nitrogen source: synthesis of primary amides}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JAN}, pages = {724-728}, type = {Article}, abstract = {

A new heterogeneous catalytic system (Ti-superoxide/saccharin/TBHP) has been developed that efficiently catalyzes oxidative amidation of aldehydes to produce various primary amides. The protocol employs saccharin as amine source and was found to tolerate a wide range of substrates with different functional groups. Moderate to excellent yields, catalyst reusability and operational simplicity are the main highlights. A possible mechanism and the role of the catalyst in oxidative amidation have also been discussed.

}, doi = {10.1039/c9ra10413e}, author = {Kamble, Rohit B. and Mane, Kishor D. and Rupanawar, Bapurao D. and Korekar, Pranjal and Sudalai, A. and Suryavanshi, Gurunath} } @article {46795, title = {Total synthesis of (-)-2-methoxy-2-butenolide-3-cinnamate and its antimicrobial potentials}, journal = {Natural Product Research}, year = {2020}, month = {JUL}, type = {Article; Early Access 2020}, abstract = {

The first total synthesis of (-)-2-methoxy-2-butenolide-3-cinnamate (butenolide cinnamate) was achieved using commercially available starting material. The synthesized compound was found to have promising antibacterial activity against Gram-negative strainsEscherichia coli(ATCC 8739),Salmonella typhimurium(ATCC 23564) andPseudomonas aeruginosa(ATCC 19154) with a minimum inhibitory concentration of 2.0 mu g/mL, 1.0 mu g/mL and 2.0 mu g/mL, respectively. Notably, the compound was more potent against Gram-negative test strains than the Gram-positive test strains.

}, keywords = {antibacterial activity, butenolide cinnamate, Total synthesis}, issn = {1478-6419}, doi = {10.1080/14786419.2020.1789979, Early Access Date = JUL 2020}, author = {Said, Madhukar S. and Udavant, Rohini and Sahu, Amit Kumar and Khan, Abujunaid and Nayak, Rashmi and Dastager, Syed G. and Kumar, Pradeep and Gajbhiye, Jayant} } @article {46687, title = {Total synthesis of (+)-petromyroxol, (-)-iso-petromyroxol, and possible diastereomers}, journal = {ACS Omega}, volume = {5}, year = {2020}, month = {OCT }, pages = {25334-25348}, type = {Article}, abstract = {

The total synthesis of (+)-petromyroxol (1) and its seven diastereomers including the ()-tso-petromyroxol (2) is described. The employed strategy involves the use of easily available CS-epimeric epoxides 5 and 5{\textquoteright} and nonselective anomeric C1-allylation, proceeding with or without inversion at C2 thereby giving the possibility of synthesizing all possible diastereomers. Extensive two-dimensional (2D) NMR analyses of all eight diastereomers have been carried out to assign the chemical shifts of the central carbons land the corresponding attached hydrogens and to learn how the C/H-chemical shifts of the tetrahydrofuran ring were influenced by the adjacent centers.

}, issn = {2470-1343}, doi = {10.1021/acsomega.0c03674}, author = {Mullapudi, Venkannababu and Ahmad, Iram and Senapati, Sibadatta and Ramana, V, Chepuri} } @article {46692, title = {Towards lignin-derived chemicals using atom-efficient catalytic routes}, journal = {Trends in Chemistry}, volume = {2}, year = {2020}, month = {OCT}, pages = {898-913}, type = {Review}, abstract = {

Lignin is a potential non-fossil resource of diverse functionalized phenolic units. The most important lignin- derived monomers are 4-alkylphenols, 4- hydroxybenzaldehydes, 4-hydroxybenzoic acids, and 4-hydroxycinnamic acids/esters. Efficient transformation of lignin and/or its monomers into valuable aromatics and their derivatives is crucial, not only for a sustainable lignocellulose biorefinery, but also to reduce our dependence on fossil feedstocks. This review provides a concise account of the recent advances in lignocellulose fractionation/lignin depolymerization processes towards lignin-derived monomers. Subsequently, numerous potential atom-efficient catalytic routes for upgrading lignin monomers into drop-in chemicals and new polymer building blocks are discussed.

}, doi = {10.1016/j.trechm.2020.07.011}, author = {Sudarsanam, Putla and Ruijten, Dieter and Liao, Yuhe and Renders, Tom and Koelewijn, Steven-Friso and Sels, Bert F.} } @article {46910, title = {Transmetallation vs adduct: diverse reactivity of N,O-ketiminato germylene with [Cp*MCl2](2) (M = Rh or Ir; Cp* = eta(5)-C5Me5) and MCl5 (M = Nb and Ta)}, journal = {Journal of Organometallic Chemistry}, volume = {911}, year = {2020}, month = {APR }, pages = {121142}, type = {Article}, abstract = {

The reactions of the germylenes, [(Dipp)NCMeCHCORGeCl] (1a: R = Me, 1b: R = Ph) with [Ir2Cl2(mu-Cl)(2)(eta(5)-Cp*)(2)] led to the formation of the adducts [(Dipp)NCMeCHCORGeClIrCl2Cp*] (3a: R = Me and 3b: R = Ph). On the other hand, [Rh2Cl2(mu-Cl)(2)(eta(5)-Cp*)(2)] does not react with the germylenes (1a and 1b). When the reactions of 1a and 1b are carried out with [Cp*TaCl4], the reaction led to decomposition. The reaction of 1a or 1b with TaCl5 yielded the transmetallated products [(Dipp)NCMeCHCORTaCl4] (4a: R = Me, 4b: R = Ph) with the extrusion of GeCl2. Our theoretical studies show that for, the insertion of TaCl5 to 1a and the formation of 4a with concomitant elimination of GeCl2 is energetically favourable. Extrusion of SnCl2 is also observed when the corresponding stannylene, [(Dipp)NCMeCHCOMeSnCl] was reacted with TaCl5. All these compounds have been characterized by H-1 and C-13 NMR spectroscopy, elemental analysis and the constitution of compounds 1b, 3b, and 4a were confirmed by single-crystal X-ray crystallography. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Adduct formation, Germylenes, Iridium, Ketoiminate, Tantalum, Transmetallation}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2020.121142}, author = {Raghavendra, Beesam and Bakthavachalam, K. and Das, Tamal and Roisnel, Thierry and Sen, Sakya S. and Vanka, Kumar and Ghosh, Sundargopal} } @article {46811, title = {Triethyl phosphite/benzoyl peroxide mediated reductive dealkylation of O-benzoylhydroxylamines: a cascade synthesis of secondary amides}, journal = {European Journal of Organic Chemistry}, volume = {2020}, year = {2020}, month = {JUL}, pages = {4235-4238}, type = {Article}, abstract = {

A new triethyl phosphite/benzoyl peroxide (BPO) mediated system has been developed for the synthesis of secondary amides with good to excellent yields in a single step. This unprecedented cascade process involves sequential reduction of N-O bond and benzoylation followed by dealkylation of N-C bond ofO-benzoylhydroxylamines (O-BHA). The methodology is versatile as it tolerates a variety of aromatic and aliphaticO-BHA as substrates to access secondary amides.

}, keywords = {Amides, Cascade reactions, O-Benzoylhydroxylamines, Redox reactions, synthetic methods}, issn = {1434-193X}, doi = {10.1002/ejoc.202000611, Early Access Date = JUN 2020}, author = {Aegurla, Balakrishna and Mandle, Ram D. and Shinde, Prasad G. and Parit, Ratan S. and Kamble, Sanjay P. and Sudalai, Arumugam and Senthilkumar, Beeran} } @article {46708, title = {Triton X-114 fractionated subcellular proteome ofleptospira interrogansshows selective enrichment of pathogenic and outer membrane proteins in the detergent fraction}, journal = {Proteomics}, volume = {20}, year = {2020}, month = {OCT}, pages = {2000170}, type = {Article}, abstract = {

The Triton X-114-based solubilization and temperature-dependent phase separation of proteins is used for subcellular fractionation where, aqueous, detergent, and pellet fractions represents cytoplasmic, outer membrane (OM), and inner membrane proteins, respectively. Mass spectrometry-based proteomic analysis of Triton X-114 fractions of proteomic analysis ofLeptospira interrogansidentified 2957 unique proteins distributed across the fractions. The results are compared with bioinformatics predictions on their subcellular localization and pathogenic nature. Analysis of the distribution of proteins across the Triton X-114 fractions with the predicted characteristics is performed based on {\textquoteleft}{\textquoteleft}number{\textquoteright}{\textquoteright} of unique type of proteins, and {\textquoteleft}{\textquoteleft}quantity{\textquoteright}{\textquoteright} which represents the amount of unique protein. The highest number of predicted outer membrane proteins (OMPs) and pathogenic proteins are found in aqueous and pellet fractions, whereas detergent fraction representing the OM has the highest quantity of OMPs and pathogenic proteins though lower in number than the aqueous and pellet fractions. This leaves the possibility of an upsurge in pathogenic proteins and OMPs on the OM under pathogenic conditions suggesting their potential use to combat leptospirosis. Further, the Triton X-114 subcellular fractions are more correlated to enrichment of pathogenic proteins predicted by MP3 software than predicted localization.

}, keywords = {intensity-based absolute quantification, Leptospira, outer membrane protein, subcellular localization, Triton X-114}, issn = {1615-9853}, doi = {10.1002/pmic.202000170, Early Access Date = SEP 2020}, author = {Thoduvayil, Sikha and Dhandapani, Gunasekaran and Brahma, Rahul and Devasahayam Arokia Balaya, Rex and Mangalaparthi, Kiran K. and Patel, Krishna and Kumar, Manish and Tennyson, Jebasingh and Satheeshkumar, P. K. and Kulkarni, Mahesh J. and Pinto, Sneha M. and Prasad, T. S. Keshava and Madanan, Madathiparambil G.} } @article {46944, title = {Tunable light emission from chemical vapor deposited two-dimensional MoSe2 by layer variation and S incorporation}, journal = {Journal of Vacuum Science \& Technology A}, volume = {38}, year = {2020}, month = {MAR}, pages = {023402}, type = {Article}, abstract = {

Mono- and few-layer thick MoSe2 and MoSxSe2-x domains were grown on insulating SiO2/Si substrates by chemical vapor deposition. Scanning electron microscopy and optical contrast images were used to determine the domain size and morphology. The structure, crystallinity, and the thickness (number of layers) of the as-synthesized domains were determined from Raman spectroscopy. The light emission was determined from photoluminescence (PL) spectroscopy. The PL emission started appearing only in domains having four layers or less, with the intensity increasing as the number of layers decreased. The PL peak position varied between 1.48eV (similar to 838nm) for four layers to 1.55eV (similar to 800nm) in the monolayer limit. Sulfur incorporation was done to enable a further tunability of the bandgap. The monolayer bandgap changed from 1.55eV for MoSe2 to 1.64eV (similar to 756nm) for MoS0.32Se0.68. The other effect of S incorporation was the formation of larger area domains in the alloy as compared to binary MoSe2 with an improvement in the structural properties, thus providing a pathway to improve the properties of two-dimensional semiconductors by mixing of two materials with similar atomic arrangements.

}, issn = {0734-2101}, doi = {10.1116/1.5124998}, author = {Singh, Vineeta and Late, Dattatray J. and Rath, Shyama} } @article {46771, title = {Tweaking palladium electronic structure to attain oxygen reduction activity superior to platinum/C}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {JUL}, pages = {6127-6132}, type = {Article}, abstract = {

Enhancing oxygen reduction (ORR) activity through alloying is crucial to improve the performance of a fuel-cell catalysts. In this work, we have studied the alloying effects of 4f rare-earth (RE) metals with palladium. The modified catalyst exhibits better activity (E-onset = 1 V and E-1/2 = 0.88 V) and higher selectivity toward H2O (similar to 97\%) compared to the state-of-the-art catalysts due to complete dissociation of O-2. Hirshfeld charge analysis and 2D-electron localization function reveal improved adsorbate-adsorbent interaction on the catalyst surface. This work paves a strategy to design highly selective non-Pt-based catalysts for the ORR by controlling electronic structures and surface oxide formation.

}, keywords = {d-band center, DFT calculation, durability, EuPd, oxygen reduction reaction, YbPd}, issn = {2574-0962}, doi = {10.1021/acsaem.0c01241}, author = {Sarma, Saurav Ch. and Kaja, Sai Manoj and Mishra, Vidyanshu and Vinod, Chathakudath Prabhakaran and Peter, Sebastian C.} } @article {46696, title = {Ultrahigh molecular weight polyethylene: catalysis, structure, properties, processing and applications}, journal = {Progress in Polymer Science}, volume = {109}, year = {2020}, month = {OCT}, pages = {101290}, type = {Review}, abstract = {

Ultrahigh molecular weight polyethylene (UHMWPE) belongs to an emerging class of high-performance specialty polymers with a unique set of properties and applications. The field has witnessed many scientific and technological advances in recent years. However, synthesis of UHMWPE is not a trivial exercise and presents several challenges. This review addresses these fundamental challenges and provides an overview of recent developments in the field of UHMWPE. The nature of catalysts, reaction conditions that favor its formation, their physical properties, methods of processing them into products, and their applications are discussed. Recent developments in formation of UHMWPE in a disentangled state by use of appropriate catalysts and reaction conditions are also discussed. This has elicited considerable interest as a means of enabling melt processing of UHMWPE. This review provides a comprehensive source of information and understanding of the multifaceted aspects of UHMWPE with specific reference to chemistry, catalysis, processes for manufacturing, and an analysis of catalyst structure-polymer property relationships. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Catalysts for UHMWPE, Disentangled UHMWPE, Entangled UHMWPE, polyethylene (PE), Ultrahigh molecular weight (UHMW) PE}, issn = {0079-6700}, doi = {10.1016/j.progpolymsci.2020.101290}, author = {Patel, Ketan and Chikkali, Samir H. and Sivaram, Swaminathan} } @article {46791, title = {Uncovering the origin of enhanced field emission properties of rGO-MnO(2)heterostructures: a synergistic experimental and computational investigation}, journal = {RSC Advances}, volume = {10}, year = {2020}, month = {JUL }, pages = {25988-25998}, type = {Article}, abstract = {

The unique structural merits of heterostructured nanomaterials including the electronic interaction, interfacial bonding and synergistic effects make them attractive for fabricating highly efficient optoelectronic devices. Herein, we report the synthesis of MnO(2)nanorods and a rGO/MnO(2)nano-heterostructure using low-cost hydrothermal and modified Hummers{\textquoteright} methods, respectively. Detailed characterization and confirmation of the structural and morphological properties are doneviaX-ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FESEM) and Transmission Electron Microscopy (TEM). Compared to the isolated MnO(2)nanorods, the rGO/MnO(2)nano-heterostructure exhibits impressive field emission (FE) performance in terms of the low turn-on field of 1.4 V mu m(-1)for an emission current density of 10 mu A cm(-2)and a high current density of 600 mu A cm(-2)at a relatively very low applied electric field of 3.1 V mu m(-1). The isolated MnO(2)nanorods display a high turn-on field of 7.1 for an emission current density of 10 mu A cm(-2)and a low current density of 221 mu A cm(-2)at an applied field of 8.1 V mu m(-1). Besides the superior FE characteristics of the rGO/MnO(2)nano-heterostructure, the emission current remains quite stable over the continuous 2 h period of measurement. The improvement of the FE characteristics of the rGO/MnO(2)nano-heterostructure can be ascribed to the nanometric features and the lower work function (6.01 and 6.12 eV for the rGO with 8\% and 16\% oxygen content) compared to the isolated alpha-MnO2(100) surface (phi= 7.22 eV) as predicted from complementary first-principles electronic structure calculations based on density functional theory (DFT) methods. These results suggest that an appropriate coupling of rGO with MnO(2)nanorods would have a synergistic effect of lowering the electronic work function, resulting in a beneficial tuning of the FE characteristics.

}, doi = {10.1039/d0ra03360j}, author = {Rondiya, Sachin R. and Karbhal, Indrapal and Jadhav, Chandradip D. and Nasane, Mamta P. and Davies, Thomas E. and Shelke, V. Manjusha and Jadkar, Sandesh R. and Chavan, Padmakar G. and Dzade, Nelson Y.} } @article {46920, title = {Understanding alloy structure and composition in sinter-resistant AgPd@SiO2 encapsulated catalysts and their effect on catalytic properties (vol 41, pg 14652, 2017)}, journal = {New Journal of Chemistry}, volume = {44}, year = {2020}, month = {MAR }, pages = {4664}, type = {Correction}, issn = {1144-0546}, doi = {10.1039/d0nj90031a}, author = {Mondal, Sourik and Rajesh, Thattarathody and Dhar, Basab B. and Snellman, Markus and Li, Junjie and Deepak, Francis Leonard and Devi, R. Nandini} } @article {46306, title = {Understanding the influence of alumina supported ruthenium catalysts synthesis and reaction parameters on the hydrodeoxygenation of lignin derived monomers}, journal = {Molecular Catalysis}, volume = {480}, year = {2020}, month = {JAN}, pages = {UNSP 110525}, type = {Article}, abstract = {

Up-gradation of lignin derived monomers to value-added and fuel grade products is important to make overall bio-refinery process economical. Although, few studies are devoted on this work yet, systematic study on commercially viable (low loading of metal, recyclable catalyst, mild conditions, high selectivities etc.) is scarce and typically done under harsh conditions. Herein, we report, the methodical effect of support (SiO2, Al2O3 (acidic, basic and neutral), SiO2-Al2O3) on the hydrodeoxygenation (HDO) of lignin derived various monomers, guaiacol, veretrol, eugenol, phenol using very low loading (0.5 wt\%) Ru catalyst. Very high yield (82\%) of cyclohexanol from guaiacol could be achieved in presence of cyclohexane as a solvent and Ru/Al2O3-Acidic catalyst at 225 degrees C and under 1 MPa H-2 pressure. The detailed study on the effect of solvent, stability and adsorption of reactant \& products etc. is done and it was observed that products are more prone to adsorb and undergo further reactions. The complete characterization of fresh and spent catalysts revealed that lower catalyst reduction temperature and presence of Ru in partially higher oxidation state proved by XPS, helps in enhancing the cyclohexanol formation. Subsequently, role of Ru particle size and support on the activity was also investigated.

}, keywords = {Cyclohexanol, Hydrodeoxygenation, lignin, reaction pathway, supported metal catalyst}, issn = {2468-8231}, doi = {10.1016/j.mcat.2019.110525}, author = {Singh, Dheerendra and Dhepe, Paresh L.} } @article {46885, title = {Unique N doped Sn3O4 nanosheets as an efficient and stable photocatalyst for hydrogen generation under sunlight}, journal = {Nanoscale}, volume = {12}, year = {2020}, month = {APR}, pages = {8502-8510}, type = {Article}, abstract = {

Unique N doped Sn3O4 nanosheets have been demonstrated successfully using a facile hydrothermal method. Investigations of the triclinic phase and the impurities were performed using powder X-ray diffraction analysis (XRD) and Raman spectroscopy. The morphological analysis demonstrated a rectangular intra- and inter-connected nanosheet-like structure. The length of the nanosheets was observed to be in the range of 200-300 nm and the thickness of the nanosheets was less than 10 nm. The optical study reveals an extended absorption edge into the visible region, owing to the incorporation of nitrogen into the lattice of Sn3O4, which was further confirmed using X-ray photoelectron spectroscopy (XPS). Considering the band structure in the visible region, the photocatalytic activities of pristine and N doped Sn3O4 nanosheets for hydrogen evolution from water under natural sunlight were investigated. 4\% N-Sn3O4 showed a higher photocatalytic activity (654.33 mu mol(-1) h(-1) 0.1 g(-1)) for hydrogen production that was eight times that of pristine Sn3O4. The enhanced photocatalytic activity is attributed to the inhibition of charge carrier separation owing to the N doping, morphology and crystallinity of the N-Sn3O4 nanostructures. A stable efficiency was observed for three cycles, which clearly shows the stability of N-Sn3O4.

}, issn = {2040-3364}, doi = {10.1039/c9nr10439a}, author = {Balgude, Sagar and Sethi, Yogesh and Gaikwad, Aarti and Kale, Bharat and Amalnerkar, Dinesh and Adhyapak, Parag} } @article {46892, title = {Unravelling the distinct surface interactions of modified graphene nanostructures with methylene blue dye through experimental and computational approaches}, journal = {Journal of Hazardous Materials}, volume = {388}, year = {2020}, month = {APR}, pages = {121755}, type = {Article}, abstract = {

Nanoscopic modifications leading to multi-dimensional graphene structures are known to significantly influence their candidature for several applications including catalysis, energy storage, molecular sensing and most significantly adsorption and remediation of harmful materials such as dyes. The present work attempts to identify the key trajectories that connect the structural qualification with a chosen application, viz., the interactive forces in dye remediation. Various physico-chemically Modified Graphene Nanostructures (MGNs) such as 2 dimensional Graphite, Graphene Oxide (GO), reduced GO (rGO), holey rGO, and 3 dimensional GO hydrogel and Holey GO hydrogel are chosen and synthesised herein. These represent varieties of physicochemical features with respect to their dimensionality, surface features such as oxygen functionality, nanoscopic holes etc., that contribute to their characteristic overall surface interactions. Methylene Blue (MB), a popular industrial effluent posing major environmental concern is chosen to be a probe adsorbate in this case study. An exclusive real time in-situ UV visible spectral experiment provides the revealing reasons behind the outstanding performance of 2D GO sheets with an adsorption capacity of greater than 92 \% even at high MB concentrations (\>2000 ppm). A complex dependency of various factors such as surface oxygen, morphology, nanoporosity etc. on the unique overall interaction with an adsorbent such as MB by all these adsorbates is demonstrated using experimental and DFT based computational studies. Electrostatics and hydrogen bonding are understood to be the two dominant forces driving the MB adsorption on the best performing GO here.

}, keywords = {Density functional theory, In-situ UV-vis spectroscopy, Interactions, Methylene blue, Modified Graphene Nanostructures}, issn = {0304-3894}, doi = {10.1016/j.jhazmat.2019.121755}, author = {Manappadan, Zinoy and Kumar, Shubham and Joshi, Krati and Govindaraja, Thillai and Krishnamurty, Sailaja and Selvaraj, Kaliaperumal} } @article {46731, title = {Unsymmetrical squaraine dyes for dye-sensitized solar cells: position of the anchoring group controls the orientation and self-assembly of sensitizers on the TiO2 surface and modulates its flat band potential}, journal = {Journal of Physical Chemistry C}, volume = {124}, year = {2020}, month = {AUG}, pages = {18436-18451}, type = {Article}, abstract = {

The position of the anchoring group is systematically changed with a series of alkyl group wrapped donor-acceptor-donor (D-A-D) based squaraine dyes, 4-SQ to 7-SQ, for the use in dye-sensitized solar cells (DSSCs). By this approach, the orientation as well as the self-assembly of the sensitizers can be controlled on the semiconducting TiO2 surface. All of the dyes functionalized with hydrophobic alkyl groups at sp(3)-C and N atoms of the indoline units that is far away from the TiO2 surface to control the self-assembly of dyes and passivate the surface. Controlling both the orientation as well as the self-assembly of the sensitizers synergistically enhances the V-oc of the DSSC device by imparting the dipole moment on the TiO2 surface and minimizing the interfacial charge recombination process of electrons from TiO2 to the oxidized electrolyte, respectively. Further, the presence of a meta-carboxyl group with respect to the N atom of the indoline donor unit for the dyes 4-SQ and 6-SQ makes them nonconductive for the charge injection process, which sheds light on the importance of through-space electron transfer for the device performance. Emission from the relaxed twisted state was found to be a deactivation pathway for 4-SQ on TiO2 and ZrO2, which revealed the importance of structural factors that promote spatial interaction between the sensitizer and metal oxide surface. Computational studies showed the systematic changes in the dipole moment for the sensitizers 4-SQ, 5-SQ, and 6-SQ upon anchoring to the TiO2 surface. The DSSC device performance varied with the position of anchoring groups in the sensitizers. The DSSC device performance of 5-SQ indicates a J(sc) value of 11.35 mA cm(-2), V-oc of 0.698 V, and ff of 77\% corresponding to a power conversion efficiency of 6.08\% in the presence of 3 equiv of coadsorbent CDCA, which is nearly 1.5 times higher than 6-SQ (V-oc 0.7 V, J(sc) 7.76 mA cm(-2), ff 76\%, and eta 4.14\%) and 2.6 times higher than 4-SQ (V-oc 0.658 V, J(sc) 4.42 mA cm(-2), ff 78\%, and eta 2.28\%). IPCE studies revealed the importance of orientation for the charge injection and self-assembly of dyes, as devices with 5-SQ and 6-SQ as a sensitizer showed 94 and 77\% response at 578 nm, respectively, which correspond to the aggregated structure of the dye. Mott-Schottky and IPCE experiments showed that the orientation of sensitizers could modulate the V-oc due to the shift in the flat band potential of TiO2.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.0c05176}, author = {Singh, Ambarish Kumar and Maibam, Ashakiran and Javaregowda, Bharathkumar H. and Bisht, Rajesh and Kudlu, Ashwath and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {46718, title = {Vinylogous michael addition of 3-alkylidene-2-oxindoles to beta,gamma-unsaturated alpha-keto esters by bifunctional cinchona alkaloids}, journal = {European Journal of Organic Chemistry}, volume = {2020}, year = {2020}, month = {SEP }, pages = {5690-5694}, type = {Article}, abstract = {

A highly enantioselective vinylogous Michael addition of 3-alkylidene-2-oxindoles with beta,gamma-unsaturated alpha-keto esters using a bifunctional tertiary-amine thiourea catalyst is demontsrated. The challenging Michael reaction with the beta,gamma-unsaturated alpha-keto esters has been accomplished due to the synchronized H-bond guided dual activation of vinylogous nucleophile and electrophile by catalyst. The reaction afforded product in high yield while resulting in excellent stereocontrol (\> 19:1E/Zand upto 99 \%ee).

}, keywords = {3-Alkylidene-2-oxindoles, Asymmetric synthesis, beta, gamma-Unsaturated alpha-keto esters, Michael adduct, Vinylogous Michael addition}, issn = {1434-193X}, doi = {10.1002/ejoc.202000835, Early Access Date = SEP 2020}, author = {Jaiswal, Manish K. and Kumar, Rajesh and Singh, Sanjay and Jain, Shailija and Vanka, Kumar and Singh, Ravi P.} } @article {46670, title = {Wavelength dependent luminescence decay kinetics in {\textquoteleft}quantum-confined{\textquoteright} g-C(3)N(4)nanosheets exhibiting high photocatalytic efficiency upon plasmonic coupling}, journal = {Journal of Materials Chemistry A}, volume = {8}, year = {2020}, month = {OCT }, pages = {20581-20592}, type = {Article}, abstract = {

Serendipitous observations offer newer insights into materials properties. Here we describe g-C(3)N(4)nanosheets exhibiting remarkably blue-shifted photoluminescence within the 390-580 nm range centred at 425 nm which matches more closely with its {\textquoteleft}quantum-dots{\textquoteright}, and yet is excitation-wavelength independent. Moreover, surprisingly, the luminescence decay becomes increasingly slow at higher emission wavelengths, by up to 10 times. The nanosheets absorb only a fraction of visible-light. To improve this, when we designed a nanocomposite of g-C(3)N(4)and Au nanoparticles (NPs), it retained the PL characteristics and also exhibited excellent light-harvesting and photocatalytic efficiency for benzylamine (BA) oxidation. The surface plasmon resonance of the Au NPs is responsible for the high visible-light response and assisting the reaction by the {\textquoteleft}hot-electron{\textquoteright} injection mechanism, while an uncharacteristic, pronounced co-catalytic effect by them further improves the efficiency. The conversion is 98\% with \>99\% selectivity over 1.5 h of natural sunlight and open-air, probably the highest efficiency for BA photo-oxidation reactions. Even though such a dual role by plasmonic NPs has remained unscrutinized, we argue that the charge-transfer processes for the {\textquoteleft}hot-carrier{\textquoteright} injection and co-catalytic events are well-separated in time due to a much slower photon incident frequency on a catalyst particle, enabling both to occur simultaneously in the same particle.

}, issn = {2050-7488}, doi = {10.1039/d0ta08001b}, author = {Mondal, Sanjit and Sahoo, Lipipuspa and Vaishnav, Yuvraj and Mishra, Samita and Roy, Raj Sekhar and Vinod, C. P. and De, Arijit K. and Gautam, Ujjal K.} } @article {46878, title = {Whole-cell phenotypic screening of medicines for malaria venture pathogen box identifies specific inhibitors of plasmodium falciparum late-stage development and egress}, journal = {Antimicrobial Agents and Chemotherapy}, volume = {64}, year = {2020}, month = {MAY}, pages = {e01802-19}, type = {Article}, abstract = {

We report a systematic, cellular phenotype-based antimalarial screening of the Medicines for Malaria Venture Pathogen Box collection, which facilitated the identification of specific blockers of late-stage intraerythrocytic development of Plasmodium falciparum. First, from standard growth inhibition assays, we identified 173 molecules with antimalarial activity (50\% effective concentration [EC50] \<= 10 mu M), which included 62 additional molecules over previously known antimalarial candidates from the Pathogen Box. We identified 90 molecules with EC50 of \<= 1 mu M, which had significant effect on the ring-trophozoite transition, while 9 molecules inhibited the trophozoite-schizont transition and 21 molecules inhibited the schizontring transition (with \>= 50\% parasites failing to proceed to the next stage) at 1 mu M. We therefore rescreened all 173 molecules and validated hits in microscopy to prioritize 12 hits as selective blockers of the schizont-ring transition. Seven of these molecules inhibited the calcium ionophore-induced egress of Toxoplasma gondii, a related apicomplexan parasite, suggesting that the inhibitors may be acting via a conserved mechanism which could be further exploited for target identification studies. We demonstrate that two molecules, MMV020670 and MMV026356, identified as schizont inhibitors in our screens, induce the fragmentation of DNA in merozoites, thereby impairing their ability to egress and invade. Further mechanistic studies would facilitate the therapeutic exploitation of these molecules as broadly active inhibitors targeting late-stage development and egress of apicomplexan parasites relevant to human health.

}, keywords = {DNA fragmentation, egress, Medicines for Malaria Venture, MMV, Pathogen Box, phenotypic screening, Plasmodium falciparum, schizonts, stage-specific inhibition}, issn = {0066-4804}, doi = {10.1128/AAC.01802-19}, author = {Patra, Alok Tanala and Hingamire, Tejashri and Belekar, Meenakshi A. and Xiong, Aoli and Subramanian, Gowtham and Bozdech, Zbynek and Preiser, Peter and Shanmugam, Dhanasekaran and Chandramohanadas, Rajesh} } @article {46970, title = {WO3 nanorods bearing interconnected Pt nanoparticle units as an activity-modulated and corrosion-resistant carbon-free system for polymer electrolyte membrane fuel cells}, journal = {ACS Applied Energy Materials}, volume = {3}, year = {2020}, month = {FEB}, pages = {1908-1921}, type = {Article}, abstract = {

Commercial platinum-supported carbon (Pt/C) catalyst is the most widely used oxygen reduction reaction (ORR) electrocatalyst in polymer electrolyte membrane fuel cells (PEMFCs). However, carbon oxidation in Pt/C during the operation of PEMFCs poses serious issues, particularly in meeting long-term durability of the cells. Although carbon-free Pt-based catalysts are considered to be the best alternatives, the single-cell performances reported for many such systems are found to be inferior to that of the carbon-based systems. As a practical way to realize a carbon-free electrocatalyst, we have developed a system by dispersing an interconnected Pt nanoparticle network on the nanorods of tungsten oxide (WO3). Uniform dispersion of the WO3 nanorods by fine and more or less interconnected Pt nanoparticles (20 wt \%) is a key feature of the electrocatalyst. This has helped the system to achieve an intrinsic ORR characteristics which is very similar to that of Pt/C, as reflected from the comparative analysis of the onset potential, half-wave potential, limiting current density, and the number of electrons transferred in the ORR process. Pt/WO3 also shows better stability under start-stop accelerated potential cycling after 10 000 cycles, compared to Pt/C. The relative decrement in the electrochemically active surface area (ECSA) for Pt/WO3 nanorods was negligible, compared to the similar to 26\% decrement registered by Pt/C under the identical testing conditions. Finally, a system-level validation in a single-cell model of PEMFC by fabricating a membrane electrode assembly (MEA) with Pt/WO3 as both the anode and cathode catalyst delivered comparable output power density as that of a similar system fabricated by using Pt/C. ECSA comparison in MEA shows the potential use of Pt/WO3-400 as the catalyst for the fuel cells, since it is exhibiting an ECSA value that is 3.4 greater than that of Pt/C at a Pt loading of 0.5 mg cm(-2).

}, keywords = {Carbon-free, electrocatalyst, fuel cell, oxygen reduction reaction, tungsten oxide}, issn = {2574-0962}, doi = {10.1021/acsaem.9b02333}, author = {Kumar, Sachin and Bhange, Siddheshwar N. and Soni, Roby and Kurungot, Sreekumar} } @article {47579, title = {2D-QSAR modeling and two-fold classification of 1,2,4-triazole derivatives for antitubercular potency against the dormant stage of Mycobacterium tuberculosis}, journal = {Molecular Diversity}, volume = {26}, year = {2021}, month = {APR}, pages = {1227-1242}, type = {Article}, abstract = {

The dormant or latent form of Mycobacterium tuberculosis (MTB) is not killed by the conventional antitubercular drugs. The treatment of latent TB is essential to reduce the period of treatment as well as incidences of drug resistance. In this background, we have made an attempt to develop the quantitative structure-activity relationship models (QSAR: regression and classification based) against the dormant form of MTB and later used the developed classifier models (linear discriminant analysis (LDA) and random forest (RF)) for the two-fold classifications. The logic of applying this concept of two-fold classification for the MTB modeling is to increase the confidence of correct classification. The 2D-QSAR modeling suggested the contribution of burden eigen, edge adjacency, van der Waals (vdW) surface area, topological charge, and pharmacophoric indices in predicting the antitubercular activity against the dormant MTB. The prediction qualities of the training and test sets were found to be moderate and good, according to the mean absolute error (MAE)-based criteria{\textquoteright}s. The LDA and RF models unveiled the importance of burden eigen, edge adjacency, Geary autocorrelation, and drug-like indices as discriminating features to differentiate the antitubercular compounds into higher and lower active groups. The LDA model showed the classification accuracies of 85.14\% and 87.10\% for the training and test sets, while the RF model exhibited the accuracies of 100.00\% and 80.65\% for both the sets. The descriptors selected in the final models are only two-dimensional (2D), which are easy to compute and does not require computationally expensive steps of structure conversion, optimization, and energy minimization mandatorily needed before the computation of 3D descriptors. These models could be used for identifying and selection of higher active compounds against the dormant form of the MTB.

}, keywords = {Classification models, Dormant TB, Linear discriminant analysis (LDA), Mycobacterium tuberculosis (MTB), Nonlinear modeling, QSAR, Random forest (RF)}, issn = {1381-1991}, doi = {10.1007/s11030-021-10254-y}, author = {Aher, Rahul Balasaheb and Sarkar, Dhiman} } @article {47595, title = {Access to a variety of Ge(II) and Sn(II) compounds through substitution of hypersilyl moiety}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {AUG }, pages = {2651-2657}, type = {Article}, abstract = {We have prepared amidinato-germylene (3) and -stannylene (4) with a tris(trimethylsilyl)silyl substituent and subsequently substituted the hypersilyl moiety by reacting 3 with chlorophosphines, which led to phosphino germylenes (5 and 6) with concomitant liberation of (Me3Si)(3)SiCl. Exploiting the fluoride affinity of the silicon atom, we have prepared pentafluoropyridyl germylene (7) and -stannylene (8) by reacting 3 and 4 with C5F5N with simultaneous elimination of (Me3Si)(3)SiF. These are the first examples of aryl germylenes or stannylenes prepared via C-F bond activation of a perfluoroarene. The reaction of 4 with Me3NO resulted in a novel Sn2O2 ring (9). All compounds were characterized by single-crystal X-ray structure determination studies.}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00306}, author = {Bisai, Milan Kumar and Ajithkumar, V. S. and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47669, title = {Access to enantiomeric organic compounds with potential for synthesis via racemic conglomerates: inositol derivatives as a case in point}, journal = {Crystal Growth \& Design}, volume = {21}, year = {2021}, month = {JUL}, pages = {3786-3797}, type = {Article}, abstract = {The crystal structure database was used to identify inositol derivatives that could be crystallizing as racemic conglomerates. Among the six racemic inositol derivatives identified, racemic 4-O-tosyl-6-O-benzyl-myo-inositol-1,3,5-orthoformate (A) was found to be a true conglomerate and was resolved on the multigram scale by the preferential crystallization technique. This resolution procedure does not require the use of any enantiomeric resolving agent. The resolved enantiomers of A are useful for the synthesis of natural and unnatural enantiomeric derivatives of inositol, since they carry orthogonal hydroxy protecting groups. Racemic 4-O-methanesulfonyl-myo-inositol-1,3,5-orthoformate (B) on crystallization from common organic solvents generally yielded racemic twin crystals, while in the presence of structural analogs as additives, they yielded true racemic crystals. A comparison of the crystal structures of the true racemate, twinned crystal and crystal of one of the enantiomers of B, revealed the reasons for the formation of polymorphic (twin) crystals. Such instances are relatively rarely encountered but nevertheless shed light on our understanding of polymorphism and twinning of crystals.}, issn = {1528-7483}, doi = {10.1021/acs.cgd.1c00126}, author = {Patil, Nivedita T. and Patil, Madhuri T. and Sarkar, Nitai and Gonnade, Rajesh G. and Shashidhar, Mysore S.} } @article {47042, title = {Advances in C(sp(2))-H/C(sp(2))-H oxidative coupling of (Hetero)arenes using 3d transition metal catalysts}, journal = {Advanced Synthesis \& Catalysis}, volume = {363}, year = {2021}, month = {APR}, pages = {1998-2022}, type = {Review}, abstract = {

C-H/C-H oxidative coupling has emerged as a straightforward and powerful technique for the construction of (hetero)biaryls, with substantial application to drug discovery, agrochemicals, biology, and material sciences. Mainly aryl-aryl, aryl-heteroaryl, and heteroaryl-heteroaryl couplings via double C(sp(2))-H activation using 4d or 5d noble transition metal catalysts have been extensively studied. Considering the earth-abundant and inexpensive nature of 3d transition metals, the sustainable development of C(sp(2))-H/C(sp(2))-H oxidative coupling employing such metal catalysts has gained significant attention. In this review, we present a comprehensive overview of C(sp(2))-H/C(sp(2))-H oxidative coupling of (hetero)arenes catalyzed by 3d transition metals.

}, keywords = {(hetero)biaryls, 3d transition metal, Biaryls, C-H activation, cross-dehydrogenative coupling}, issn = {1615-4150}, doi = {10.1002/adsc.202001498, Early Access Date = MAR 2021}, author = {Bansal, Sadhna and Shabade, Anand B. and Punji, Benudhar} } @article {47720, title = {Amphifunctional mesoporous silica nanoparticles with {\textquoteleft}{\textquoteleft}molecular gates{\textquoteright}{\textquoteright} for controlled drug uptake and release}, journal = {Particle \& Particle Systems Characterization}, volume = {38}, year = {2021}, month = {DEC}, pages = {2100185}, type = {Article}, abstract = {It is demonstrated that the uptake and release of hydrophobic drugs/dyes by mesoporous silica nanoparticles (MSN) is critically dependent on the functional groups present on their outer surfaces. For this, amphifunctional MSNs are synthesized, possessing hydrophobic pores and hydrophilic functional groups on the outer surface. Further, the outer surface is modified with a different chain length of molecules, e.g., propargyl alcohol, triethylene glycol, and PEG (2000) via azide-alkyne click chemistry. The effect of these different surface functional groups on uptake of drug/dye is demonstrated with Nile red, proflavine (free base form), and rhodamine 6G. The uptake of these molecules is found to be inversely proportional to the bulkiness of surface functionality. To counter this effect, an alternate method of loading is proposed and demonstrated. Finally, the effect of these different functional groups on the release of loaded drug proflavine is studied, which supports the hypothesis that bulkier outer surface groups also hinder the release of drugs loaded in the porous MSN.}, keywords = {drug delivery and release, Mesoporous silica, molecular gating, surface functionalization}, issn = {0934-0866}, doi = {10.1002/ppsc.202100185}, author = {Shinde, Pravin and Prasad, V, Bhagavatula L.} } @article {47789, title = {Amphiphilic indoline-based unsymmetrical squaraine dyes for dye-sensitized solar cells: modulating the dye-TiO2/electrolyte interface for nonaqueous and aqueous electrolytes}, journal = {ACS Applied Energy Materials}, volume = {4}, year = {2021}, month = {NOV}, pages = {13932-13942}, type = {Article}, abstract = {A high molar extinction coefficient with sharp absorption properties from the range of visible to near-infrared regions makes squaraine dyes very attractive and potential chromophores for dye-sensitized solar cell (DSSC) applications. Here, we report a series of alkyl groups and glycolic chain [triethylene glycol (TEG)]-wrapped amphiphilic indoline-based unsymmetrical squaraine dyes, where the number of carbon atoms in the alkyl groups and TEG was systematically changed by incorporating the alkyl groups and TEG within the dye molecule for controlling the self-assembly of the dyes on the TiO2 surface and to improve the interfacial properties at the dye-TiO2/electrolyte interface. Due to the same skeletal characteristics, ASQ dyes showed similar photophysical and electrochemical properties in solution. Photovoltaic characterization of ASQ dyes was carried out in nonaqueous and aqueous electrolytes to evaluate the effect of alkyl groups and TEG on nonaqueous and aqueous DSSC device performances. VOC, JSC, and photovoltaic efficiencies were systematically enhanced by increasing the number of carbon atoms of alkyl groups into the dye molecules for nonaqueous DSSCs. Furthermore, addition of chenodeoxycholic acid (CDCA) decreased the charge recombination processes and resulted in enhanced efficiency, VOC, and JSC (enhanced incident photon-to-current conversion efficiency performance) compared to that without CDCA. The ASQ4 dye gave the highest nonaqueous DSSC efficiency of 6.39\%, a VOC of 711 mV, and a JSC of 12.18 mA/cm2 with 2 equiv of CDCA in the ASQ dye series. Furthermore, increased carbon atoms in the alkyl groups showed a detrimental effect on the aqueous DSSC efficiency due to the mismatch in the polarity at the dye-TiO2/electrolyte interface, being the reason for the decreased device efficiencies from ASQ2 to ASQ4 dyes. The ASQ2 dye gave the highest aqueous DSSC efficiency of 2.36\%, a VOC of 611 mV, and a JSC of 4.75 mA/cm2 without CDCA in the ASQ dye series.}, doi = {10.1021/acsaem.1c02733}, url = {https://doi.org/10.1021/acsaem.1c02733}, author = {Singh, Ambarish Kumar and Nithyanandhan, Jayaraj} } @article {47367, title = {Amyloid-beta-derived peptidomimetics inhibits tau aggregation}, journal = {ACS Omega }, volume = {6}, year = {2021}, month = {MAY }, pages = {11131-11138}, type = {Article}, abstract = {

The aggregation of tau protein is one of the hallmarks for Alzheimer{\textquoteright}s disease, resulting in neurodegeneration. The peptidomimetics strategy to prevent tau aggregation is more specific over other small molecules. In the present study, we analyzed the effect of amyloid-beta-derived peptidomimetics for inhibiting heparin-induced tau aggregation in vitro. These peptides and their derivatives were known to prevent aggregation of amyloid-beta. KLVFF is a hydrophobic sequence of the pentapeptide that prevented tau aggregation as observed by thioflavin S fluorescence, transmission electron microscopy, and circular dichroism spectroscopy. P4 and P5 also prevented assembly of tau into aggregates and formed short fibrils. The beta-sheet breaker LPFFD was however ineffective in preventing tau aggregation. The peptides further demonstrated reversal of tau-induced cytotoxicity in a dose-dependent manner. Our results suggested that these peptides can also be used to inhibit tau aggregation and also, toxicity induced by tau could be considered as potential molecules that have an effect on tau as well as amyloid-beta.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b03497}, author = {Gorantla, V. Nalini and Sunny, Lisni P. and Rajasekhar, Kolla and Nagaraju, Pramod G. and Priyadarshini, Poornima C. G. and Govindaraju, Thimmaiah and Chinnathambi, Subashchandrabose} } @article {47651, title = {Annulation of enals with carbamoylpropiolates via NHC-catalyzed enolate pathway: access to functionalized maleimides/iso-maleimides and synthesis of aspergillus FH-X-213}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {JUL }, pages = {9466-9477}, type = {Article}, abstract = {Herein we report the N-heterocyclic carbene (NHC)-catalyzed [3 + 2] annulation of alpha,beta-unsaturated aldehydes with carbamoylpropiolates via an unusual enolate pathway leading to the construction of highly functionalized maleimides or isomaleimides. The electronic effect imposed by the alkyl/aryl group present on the amide nitrogen of carbamoylpropiolates plays a crucial role in the selective formation of these important five-membered heterocyclic building blocks. The developed protocol is mild and tolerates a wide range of substituents on both substrates. The application of this protocol in the synthesis of the antibacterial natural product Aspergillus FH-X-213 has also been demonstrated.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c00782}, author = {Viveki, Amol B. and Pol, Mahesh D. and Halder, Priyanka and Sonavane, Sameer R. and Mhaske, Santosh B.} } @article {47581, title = {Antimicrobial and antioxidant potential of a standardized ayurvedic formulation explains its clinical efficacy as gargles in post-radiotherapy oral cancer patients}, journal = {Journal of Herbal Medicine}, volume = {30}, year = {2021}, month = {DEC}, pages = {100510}, type = {Article}, abstract = {Introduction: Exploring the antioxidant and antimicrobial potential of a standardized proprietary poly-herbal powder and evaluating its clinical efficacy as an Ayurvedic gargle (Gandush) for reducing oral microbial load and side effects of radiotherapy in oral cavity cancer patients was the aim of this pilot study. Methods: Formulation (Gandush Churna) comprising Terminalia chebula Retz., Terminalia bellirica (Gaertn.) Roxb., Phyllanthus emblica L. and Curcuma longa L. and its decoction (Gandush Kwath) were standardized. In-vitro antioxidant potential and antimicrobial activity against selective bacterial and fungal strains were studied. Oral cavity cancer patients who had undergone radiotherapy were enrolled. The decoction was prepared by soaking Gandush Churna in water, boiling and reducing by 50 \%; and was used for gargling, twice a day, for 7 days. Total microbial count and identification of microbiota in the oral cavity as well as symptoms graded as per Common Terminology Criteria for Adverse Events, were noted before and after the treatment. Change in microbial load and shift in symptom gradations were analyzed. Results: A monograph with physicochemical, chromatography, safety and stability parameters was developed. The decoction possessed good in-vitro antioxidant and antimicrobial activities. Gargling therapy significantly reduced bacterial load while mildly controlled the fungal infection in oral cavity cancer patients. It significantly reduced the severity of symptoms viz. stomatitis and local pain, with considerably decreased xerostomia and dysphagia. Conclusions: Intervention of gargle therapy using poly-herbal formulation may serve as an effective complementary treatment to improve oral hygiene and reduce side effects of radiotherapy in oral cancer patients.}, keywords = {Anti-microbial, Antioxidant, Gandush, Gargle therapy, Oral cavity cancers, Radiotherapy side effects}, issn = {2210-8033}, doi = {10.1016/j.hermed.2021.100510}, author = {Chavan, Sandeep and Bhuvad, Sushama and Kumbhlakar, Bhagyashri and Auti, Jyoti and Walunj, Tanhaji and Pathak, Shridevi and Tanpure, Rahul and Gujar, Shweta and Shinde, Jagdish and Kulkarni, Arvind and Gupta, Vidya and Deshmukh, Vineeta and Sardeshmukh, Sadanand} } @article {47090, title = {Antimicrobial synergy of silver-platinum nanohybrids with antibiotics}, journal = {Frontiers in Microbiology}, volume = {11}, year = {2021}, month = {FEB }, pages = {610968}, type = {Article}, abstract = {

Various bacterial pathogens are responsible for nosocomial infections resulting in critical pathophysiological conditions, mortality, and morbidity. Most of the bacterial infections are associated with biofilm formation, which is resistant to the available antimicrobial drugs. As a result, novel bactericidal agents need to be fabricated, which can effectively combat the biofilm-associated bacterial infections. Herein, for the first time we report the antimicrobial and antibiofilm properties of silver-platinum nanohybrids (AgPtNHs), silver nanoparticles (AgNPs), and platinum nanoparticles (PtNPs) against Escherichia coli, Pseudomonas aeruginosa, and Staphylococcus aureus. The AgPtNHs were synthesized by a green route using Dioscorea bulbifera tuber extract at 100 degrees C for 5 h. The AgPtNHs ranged in size from 20 to 80 nm, with an average of similar to 59 nm. AgNPs, PtNPs, and AgPtNHs showed a zeta potential of -14.46, -1.09, and -11.39 mV, respectively. High antimicrobial activity was observed against P. aeruginosa and S. aureus and AgPtNHs exhibited potent antimicrobial synergy in combination with antibiotics such as streptomycin, rifampicin, chloramphenicol, novobiocin, and ampicillin up to variable degrees. Interestingly, AgPtNHs could inhibit bacterial biofilm formation significantly. Hence, co-administration of AgPtNHs and antibiotics may serve as a powerful strategy to treat bacterial infections.

}, keywords = {antibiofilm, antimicrobial synergy, biogenic synthesis, Characterization, silver-platinum nanohybrids}, issn = {1664-302X}, doi = {10.3389/fmicb.2020.610968}, author = {Ranpariya, Bansi and Salunke, Gayatri and Karmakar, Srikanta and Babiya, Kaushik and Sutar, Santosh and Kadoo, Narendra and Kumbhakar, Pathik and Ghosh, Sougata} } @article {47790, title = {Antitumor effects of Ir(III)-2H-indazole complexes for triple negative breast cancer}, journal = {Inorganic Chemistry}, volume = {60}, year = {2021}, month = {NOV}, pages = {17593-17607}, type = {Article}, abstract = {In this work, we have synthesized a series of novel C,N-cyclometalated 2H-indazole-ruthenium(II) and -iridium(III) complexes with varying substituents (H, CH3, isopropyl, and CF3) in the R4 position of the phenyl ring of the 2H-indazole chelating ligand. All of the complexes were characterized by 1H, 13C, high-resolution mass spectrometry, and elemental analysis. The methyl-substituted 2H-indazole-Ir(III) complex was further characterized by single-crystal X-ray analysis. The cytotoxic activity of new ruthenium(II) and iridium(III) compounds has been evaluated in a panel of triple negative breast cancer (TNBC) cell lines (MDA-MB-231 and MDA-MB-468) and colon cancer cell line HCT-116 to investigate their structure{\textendash}activity relationships. Most of these new complexes have shown appreciable activity, comparable to or significantly better than that of cisplatin in TNBC cell lines. R4 substitution of the phenyl ring of the 2H-indazole ligand with methyl and isopropyl substituents showed increased potency in ruthenium(II) and iridium(III) complexes compared to that of their parent compounds in all cell lines. These novel transition metal-based complexes exhibited high specificity toward cancer cells by inducing alterations in the metabolism and proliferation of cancer cells. In general, iridium complexes are more active than the corresponding ruthenium complexes. The new Ir(III)-2H-indazole complex with an isopropyl substituent induced mitochondrial damage by generating large amounts of reactive oxygen species (ROS), which triggered mitochondrion-mediated apoptosis in TNBC cell line MDA-MB-468. Moreover, this complex also induced G2/M phase cell cycle arrest and inhibited cellular migration of TNBC cells. Our findings reveal the key roles of the novel C{\textendash}N-cyclometalated 2H-indazole-Ir(III) complex to specifically induce toxicity in cancer cell lines through contributing effects of ROS-induced mitochondrial disruption along with chromosomal and mitochondrial DNA target inhibition.}, doi = {10.1021/acs.inorgchem.1c02193}, url = {https://doi.org/10.1021/acs.inorgchem.1c02193}, author = {Panchangam, Rajeeva Lochana and Rao, Ramdas Nishanth and Balamurali, Musuvathi Motilal and Hingamire, Tejashri B. and Shanmugam, Dhanasekaran and Manickam, Venkatraman and Chanda, Kaushik} } @article {47600, title = {Aqueous methanol to formaldehyde and hydrogen on Pd/TiO2 by photocatalysis in direct sunlight: structure dependent activity of nano-Pd and atomic Pt-coated counterparts}, journal = {ACS Applied Energy Materials}, volume = {4}, year = {2021}, month = {NOV }, pages = {13347-13360}, type = {Article}, abstract = {In the present investigation, facet-controlled Pd nanoparticles with nanocube (Pd-NC) and truncated octahedron (Pd-TO) morphologies, and their counterparts with half-a-monolayer of atomic Pt coated (0.5 theta(Pt)-Pd-NC and 0.5 theta(Pt)-Pd-TO) surfaces were prepared. All of them were characterized and evaluated as cocatalyst after supporting them on commercial titania (P25) (Pd-NC/P25, Pd-TO/P25, 0.5 theta(Pt)-Pd-NC/P25, and 0.5 theta(Pt)-Pd-TO/P25) under direct sunlight and/or one sun conditions for the oxidation of methanol to formaldehyde along with solar hydrogen production. Pd-NC/P25 shows higher activity for hydrogen generation compared to Pd-TO/P25; however, activity reversal occurs with the above cocatalysts, but, after Pt-coating with further enhanced activity. The highest conversion of methanol (0.2 mu mol/h.mg) to 100\% selective formaldehyde was observed with 0.5 theta(Pt)-Pd-TO/P25, while other catalysts show significantly lower methanol conversion in the following order: 0.5 theta(Pt)-Pd-TO/P25 > 0.5 theta(Pt)-Pd-NC/P25 > Pd-NC/P25 > Pd-TO/P25. Pt-coated on (111) facets of Pd-TO simulates the activity associated as that of Pt(111) facets and demonstrating the highest and facet dependent activity. The present study is truly in resonance with exploiting the surface properties for heterogeneous catalysis, and highlights that less than a monolayer of Pt is sufficient to simulate the activity as that of bulk Pt. It is worth exploring this concept to other metals and substrates too.}, keywords = {heterogeneous catalysis, Nanomaterials, Oxidation, Photocatalysis, surface modification}, issn = {2574-0962}, doi = {10.1021/acsaem.1c03080}, author = {Nalajala, Naresh and Salgaonkar, Kranti N. and Chauhan, Inderjeet and Mekala, Siva Prasad and Gopinath, Chinnakonda S.} } @article {47092, title = {Assessing the impact of deviations in optimized multistep flow synthesis on the scale-up (vol 5, pg 838, 2020)}, journal = {Reaction Chemistry \& Engineering}, volume = {6}, year = {2021}, month = {FEB }, pages = {353}, type = {Correction}, issn = {2058-9883}, doi = {10.1039/d1re90004h}, author = {Sharma, M. K. and Raval, J. and Ahn, Gwang-Noh and Kim, Dong-Pyo and Kulkarni, A. A.} } @article {47069, title = {Baicalein inhibits heparin-induced Tau aggregation by initializing non-toxic Tau oligomer formation}, journal = {Cell Communication and Signaling}, volume = {19}, year = {2021}, month = {FEB }, pages = {16}, type = {Article}, abstract = {

Background: Amyloid aggregate deposition is the key feature of Alzheimer{\textquoteright}s disease. The proteinaceous aggregates found in the afflicted brain are the intra-neuronal neurofibrillary tangles formed by the microtubule-associated protein Tau and extracellular deposits, senile plaques, of amyloid beta (A beta) peptide proteolytically derived from the amyloid precursor protein. Accumulation of these aggregates has manifestations in the later stages of the disease, such as memory loss and cognitive inabilities originating from the neuronal dysfunction, neurodegeneration, and brain atrophy. Treatment of this disease at the late stages is difficult, and many clinical trials have failed. Hence, the goal is to find means capable of preventing the aggregation of these intrinsically disordered proteins by inhibiting the early stages of their pathological transformations. Polyphenols are known to be neuroprotective agents with the noticeable potential against many neurodegenerative diseases, such as Alzheimer{\textquoteright}s, Parkinson{\textquoteright}s, and Prion diseases. Methods: We analyzed the capability of Baicalein to inhibit aggregation of human Tau protein by a multifactorial analysis that included several biophysical and biochemical techniques. Results: The potency of Baicalein, a polyphenol from the Scutellaria baicalensis Georgi, against in vitro Tau aggregation and PHF dissolution has been screened and validated. ThS fluorescence assay revealed the potent inhibitory activity of Baicalein, whereas ANS revealed its mechanism of Tau inhibition viz. by oligomer capture and dissociation. In addition, Baicalein dissolved the preformed mature fibrils of Tau thereby possessing a dual target action. Tau oligomers formed by Baicalein were non-toxic to neuronal cells, highlighting its role as a potent molecule to be screened against AD. Conclusion: In conclusion, Baicalein inhibits aggregation of hTau40 by enhancing the formation of SDS-stable oligomers and preventing fibril formation. Baicalein-induced oligomers do not affect the viability of the neuroblastoma cells. Therefore, Baicalein can be considered as a lead molecule against Tau pathology in AD.

}, keywords = {Alzheimer{\textquoteright}s disease, Baicalein, Tau dissolution, Tau inhibition, Tau Oligomers}, doi = {10.1186/s12964-021-00704-3}, author = {Sonawane, Shweta Kishor and Uversky, Vladimir N. and Chinnathambi, Subashchandrabose} } @article {47793, title = {Bibliometric analysis of named entity recognition for chemoinformatics and biomedical information extraction of ovarian cancer}, journal = {Library Philosophy and Practice }, year = {2021}, month = {APR}, type = {Article}, abstract = {With the massive amount of data that has been generated in the form of unstructured text documents, Biomedical Named Entity Recognition (BioNER) is becoming increasingly important in the field of biomedical research. Since currently there does not exist any automatic archiving of the obtained results, a lot of this information remains hidden in the textual details and is not easily accessible for further analysis. Hence, text mining methods and natural language processing techniques are used for the extraction of information from such publications.Named entity recognition, is a subtask that comes under information extraction that focuses on finding and categorizing specific entities in text. In this paper, bibliometric analysis of named entity recognition of ovarian cancer is carried out using information about publications from Scopus. The most productive journals, countries and authors are determined. The most frequently cited article and its citation history has been described. Also bibliometric maps based on citation network among countries are constructed. This study can assist people in the medical field to get a comprehensive understanding of the study of BioNER. It can also be utilized for reference works, for the research and application of the BioNER visualization methods. }, url = {https://digitalcommons.unl.edu/libphilprac/5536/}, author = {Khedkar, Vijayhsri and Fernandes, Charlotte and desai, Devshi and Shinde, Mansi and Dr, Chavan, and Dr, Tidke, and Dr, Karthikeyan} } @article {47082, title = {Bimetallic nano alloy architecture on a special polymer: Ni or Cu merged with Pd for the promotion of the Mizoroki-Heck reaction and the Suzuki-Miyaura coupling}, journal = {Journal of Chemical Sciences}, volume = {133}, year = {2021}, month = {FEB }, pages = {8}, type = {Article}, abstract = {

Novel Ni-Pd and Cu-Pd bimetallic nano alloys was designed and heterogenized on the highly robust ABPBI [poly(2,5-benzimidazole)] polymer in high yields using NaBH4 as reducing agent. These were versatile ligand free catalysts for the Mizoroki-Heck reaction and Suzuki-Miyaura coupling. The bimetallic Ni-Pd-ABPBI catalyst for the Mizoroki-Heck reaction of 4-iodo anisole could be recycled 5 times with high yields. Aryl bromides could also be activated for the Mizoroki-Heck reaction using Cu-Pd-ABPBI NP catalysts, with moderate yields. Graphic abstractSynopsis Novel bimetallic Ni-Pd and Cu-Pd nano alloys, heterogenized on the robust ABPBI [poly(2,5-benzimidazole)] polymer using NaBH4 as reducing agent, is described. These were versatile ligand free, noble metal conservative catalysts, for the Mizoroki-Heck reaction and the Suzuki-Miyaura coupling. Aryl bromides were activated for the Mizoroki-Heck reaction using the Cu-Pd-ABPBI catalyst.

}, keywords = {Bimetallic nano alloys, Cu-Pd-ABPBI, Mizoroki-Heck reaction, Ni-Pd-ABPBI, Suzuki coupling}, issn = {0974-3626}, doi = {10.1007/s12039-020-01870-6}, author = {Patil, Vijay P. and Kashid, Abhijit A. and Solanki, Bhanupratap S. and Kharul, Ulhas K. and Iyer, Suresh} } @article {47341, title = {Bimetallic ZnFe2O4 nanosheets prepared via electrodeposition as binder-free high-performance supercapacitor electrodes}, journal = {Applied Surface Science}, volume = {559}, year = {2021}, month = {SEP }, pages = {149951}, type = {Article}, abstract = {

Binder-free bimetallic ZnFe2O4 nanosheets were fabricated using one-step electrodeposition, which facilitated excellent electrical contact between the ZnFe2O4 nanosheets and the nickel substrate. The resultant numerous ZnFe2O4 nanosheets with their cubic spinel structures promote interfacial activity to enhance the electrochemical and Faradaic redox reactions. The metallic Zn and Fe from the cubic spinel structure of ZnFe2O4 attract electrolytic ions and increase the energy-storage capability, thus yielding a specific capacitance of 1093 F.g(-1) at a current rate of 1 A.g(-1). Different samples were prepared by varying the amount of metal salts in the electrodeposition solution while maintaining a constant ZnNt:FeSO4 concentration ratio of 1:2 for all cases. The optimal electrode composition, which yielded an energy density of 54 Wh.kg(-1) and a capacitance retention of 93.5\% at N = 5000 charge-discharge cycles, was identified.

}, keywords = {Bimetallic, Electrodeposition, Energy storage device, supercapacitor, ZnFe2O4 nanosheet}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.149951}, author = {Joshi, Bhavana and Samuel, Edmund and Park, Chanwoo and Kim, Yongil and Lee, Hae-Seok and Yoon, Sam S.} } @article {46671, title = {Biological process of lysine-tRNA charging is therapeutically targetable in liver cancer}, journal = {Liver International}, volume = {41}, year = {2021}, month = {JAN }, pages = {206-219}, type = {Article }, abstract = {

Background \& Aims Mature transfer RNAs (tRNA) charged with amino acids decode mRNA to synthesize proteins. Dysregulation of translational machineries has a fundamental impact on cancer biology. This study aims to map the tRNAome landscape in liver cancer patients and to explore potential therapeutic targets at the interface of charging amino acid with tRNA. Methods Resected tumour and paired tumour-free (TFL) tissues from hepatocellular carcinoma (HCC) patients (n = 69), and healthy liver tissues from organ transplant donors (n = 21), HCC cell lines, and cholangiocarcinoma (CC) patient-derived tumour organoids were used. Results The expression levels of different mature tRNAs were highly correlated and closely clustered within individual tissues, suggesting that different members of the tRNAome function cooperatively in protein translation. Interestingly, high expression of tRNA-Lys-CUU in HCC tumours was associated with more tumour recurrence (HR 1.1;P = .022) and worse patient survival (HR 1.1;P = .0037). The expression of Lysyl-tRNA Synthetase (KARS), the enzyme catalysing the charge of lysine to tRNA-Lys-CUU, was significantly upregulated in HCC tumour tissues compared to tumour-free liver tissues. In HCC cell lines, lysine deprivation, KARS knockdown or treatment with the KARS inhibitor cladosporin effectively inhibited overall cell growth, single cell-based colony formation and cell migration. This was mechanistically mediated by cell cycling arrest and induction of apoptosis. Finally, these inhibitory effects were confirmed in 3D cultured patient-derived CC organoids. Conclusions The biological process of charging tRNA-Lys-CUU with lysine sustains liver cancer cell growth and migration, and is clinically relevant in HCC patients. This process can be therapeutically targeted and represents an unexplored territory for developing novel treatment strategies against liver cancer.

}, keywords = {Cladosporin, liver cancer, lysine, Lysyl-tRNA Synthetase, tRNA-Lys-CUU, tRNAome}, issn = {1478-3223}, doi = {10.1111/liv.14692}, author = {Zhang, Ruyi and Noordam, Lisanne and Ou, Xumin and Ma, Buyun and Li, Yunlong and Das, Pronay and Shi, Shaojun and Liu, Jiaye and Wang, Ling and Li, Pengfei and Verstegen, Monique M. A. and Reddy, D. Srinivasa and van Der Laan, Luc J. W. and Peppelenbosch, Maikel P. and Kwekkeboom, Jaap and Smits, Ron and Pan, Qiuwei} } @article {47745, title = {Biological synthesis of alpha-Ag2S composite nanoparticles using the fungus Humicola sp. and its biomedical applications}, journal = {Journal of Drug Delivery Science and Technology}, volume = {66}, year = {2021}, month = {DEC}, pages = {102770}, type = {Article}, abstract = {Synthesis of alpha-Ag2S (silver sulfide) is a highly challenging task, usually attempted using synthetic, hazardous chemical processes. This report puts efforts to exploring microbial-based eco-friendly alternatives. A facile, onepot biological method for the synthesis of alpha-Ag2S composite nanoparticles (NPs) in an aqueous medium at ambient conditions was established. As prepared alpha-Ag2S composite NPs were efficiently produced from precursors silver nitrate and sodium sulfite. The extracellular biomolecules produced by Humicola sp. reduced the precursor solution and at the same time it capped the formed Ag2S NPs. The characterization performed by different techniques revealed excellent optical, morphological, and structural properties (size, shape distribution, and crystallinity) of the alpha-Ag2S NPs. The change in color from colorless to dark brown indicated the formation of alpha-Ag2S, which was further confirmed by fluorescence and UV-Visible spectroscopy, showing a sharp peak at 410 nm. Morphological analysis of alpha-Ag2S NPs confirmed the spherical shape, and narrow size distribution. alpha-Ag2S NPs were found to be potent in antimicrobial applications owing to their high dispersibility in water and capping by extracellular biomolecules secreted by Humicola sp. The anti-cancer activity for alpha-Ag2S performed using human breast cancer cell line (ZR-75-1) and human Burkitt{\textquoteright}s lymphoma cancer (Daudi). The biocompatibility test was performed using human peripheral blood mononuclear cells (PBMCs) for alpha-Ag2S NPs. The anti-leishmania activity was also determined for alpha Ag2S NPs in-vitro using the standard anti-promastigote protocol (Leishmania donovani promastigotes). This extracellular system is an economically and environmentally benign route for the biosynthesis of alpha-Ag2S NPs having desired surface, structure and biomedical properties.}, keywords = {Cytotoxicity, Fungus, Hemolysis, Humicolasp, Silver sulfide(alpha-Ag2S)}, issn = {1773-2247}, doi = {10.1016/j.jddst.2021.102770}, author = {Syed, Asad and Saedi, Marzouq Hussain Al and Bahkali, Ali H. and Elgorban, Abdallah M. and Kharat, Maheshkumar and Pai, Kalpana and Ghodake, Gajanan and Ahmad, Absar} } @article {47643, title = {C (1)-Symmetric diphosphorus ligands in metal-catalyzed asymmetric hydrogenation to prepare chiral compounds}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {NOV }, pages = {9095-9137}, type = {Review}, abstract = {Asymmetric hydrogenation has remained an important and challenging research area in industry as well as academia due to its high atom economy and ability to induce chirality. Among several types of ligands, chiral bidentate phosphine ligands have played a pivotal role in developing asymmetric hydrogenation. Although C-2-symmetric chiral bidentate phosphine ligands have dominated the field, it has been found that several C-1-symmetric ligands are equally effective and, in many cases, have outperformed their C-2-symmetric counterparts. This review evaluates the possibility of the use of C-1-symmetric diphosphorus ligands in asymmetric hydrogenation to produce chiral compounds. The recent strategies and advances in the application of C-1-symmetric diphosphorus ligands in the metal-catalyzed asymmetric hydrogenation of a variety of C=C bonds have been summarized. The potential of diphosphorus ligands in asymmetric hydrogenation to produce pharmaceutical intermediates, bioactive molecules, drug molecules, agrochemicals, and fragrances is discussed. Although asymmetric hydrogenation appears to be a problem that has been resolved, a deep dive into the recent literature reveals that there are several challenges that are yet to be addressed. The current asymmetric hydrogenation methods mostly employ precious metals, which are depleting at a fast pace. Therefore, scientific interventions to perform asymmetric hydrogenation using base metals or earth-abundant metals that can compete with established precious metals hold significant potential.}, issn = {1477-0520}, doi = {10.1039/d1ob01207j}, author = {Sen, Anirban and Chikkali, Samir H.} } @article {47084, title = {Can we identify the salt-cocrystal continuum state using XPS?}, journal = {Crystal Growth \& Design}, volume = {21}, year = {2021}, month = {FEB }, pages = {735-747}, type = {Article}, abstract = {

X-ray photoelectron spectroscopy (XPS) is used to understand the nature of acid-base crystalline solids, to know whether the product is a salt (proton transfer, O-center dot center dot center dot H-N+) or a cocrystal (neutral adduct, O-H center dot center dot center dot N). The present study was carried out to explore if intermediate states of proton transfer from COOH to nitrogen (the proton resides between hydrogen bonded to O and N, O center dot center dot center dot H center dot center dot center dot N, quasi state) can be differentiated from a salt (complete proton transfer, N+-H center dot center dot center dot center dot O-) and cocrystal (no proton transfer, O-H center dot center dot center dot N) using N 1s XPS spectroscopy. The intermediate states of proton transfer arise when the pK(a) difference between the acid and the conjugate base is between -1 and 4, -1 \< Delta pK(a) \< 4, a situation common with COOH and pyridine functional groups present in drug molecules and pharmaceutically acceptable coformers. Complexes of pyridine N bases with aromatic COOH molecules in nine salts/cocrystals were cocrystallized, and their N 1s core binding energies in XPS spectra were measured. The proton state was analyzed by single-crystal X-ray diffraction for confirmation. Three new complexes were crystallized and analyzed by XPS spectra (without knowledge of their X-ray structures), to assess the predictive ability of XPS spectra in differentiating salt-cocrystal intermediate states against the extremities. The XPS results were subsequently confirmed by single-crystal X-ray data. Complexes of 3,5-dinitrobenzoic acid and isonicotinamide in 1:1 and 1:2 ratios exist as a salt and a salt-cocrystal continuum, respectively, as shown by the N 1s core binding energies. The proton states of the crystalline solids by XPS are in good agreement with the corresponding crystal structures. Other complexes, such as those of 3,5-dinitrobenzoic acid with 1,2-bis(4-pyridyl)ethylene, exhibit a salt-cocrystal continuum, maleic acids with 1,2-bis(4-pyridyl)ethylene and acridine are salts, 2-hydroxybenzoic acid and acridine is a salt, and the complex of 3,5-dinitrobenzoic acid and 3-hydroxypyridine is a salt and salt-cocrystal continuum, while fumaric acids with 1,2-bis(4-pyridyl)ethylene and acridine are cocrystals. Furthermore, three new acidbase complexes of 3,5-dinitrobenzoic acid with phenazine, 4-hydroxypyridine, and 4-cyanopyridine were studied initially by XPS and then confirmed by X-ray diffraction. In summary, since the N 1s binding energies cluster in a narrow range as cocrystals (398.7-398.9 eV) and salts (400.1-401.1 eV), it is clearly possible to differentiate between cocrystals and salts, but the saltcocrystal continuum values in XPS spectra are clustered in an intermediate range of cocrystals and salts but overlap with those of cocrystal or salt binding energies.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.0c00661}, author = {Tothadi, Srinu and Shaikh, Tabrez Rafique and Gupta, Sharad and Dandela, Rambabu and Vinod, Chathakudath P. and Nangia, Ashwini K.} } @article {47574, title = {Caveolin induced membrane curvature and lipid clustering: two sides of the same coin?}, journal = {Faraday Discussions}, volume = {232}, year = {2021}, month = {DEC}, pages = {218-235}, type = {Article}, abstract = {Caveolin-1 (cav-1) is a multi-domain membrane protein that is a key player in cell signaling, endocytosis and mechanoprotection. It is the principle component of cholesterol-rich caveolar domains and has been reported to induce membrane curvature. The molecular mechanisms underlying the interactions of cav-1 with complex membranes, leading to modulation of membrane topology and the formation of cholesterol-rich domains, remain elusive. In this study, we aim to understand the effect of lipid composition by analyzing the interactions of cav-1 with complex membrane bilayers comprised of about sixty lipid types. We have performed a series of coarse-grain molecular dynamics simulations using the Martini force-field with a cav-1 protein construct (residue 82-136) that includes the membrane binding domains and a palmitoyl tail. We observe that cav-1 induces curvature in this complex membrane, though it is restricted to a nanometer length scale. Concurrently, we observe a clustering of cholesterol, sphingolipids and other lipid molecules leading to the formation of nanodomains. Direct microsecond timescale interactions are observed for specific lipids such as cholesterol, phosphatidylserine and phosphatidylethanolamine lipid types. The results indicate that there is an interplay between membrane topology and lipid species. Our work is a step toward understanding how lipid composition and organization regulate the formation of caveolae, in the context of endocytosis and cell signaling.}, issn = {1359-6640}, doi = {10.1039/d0fd00062k}, author = {Prakash, Shikha and Krishna, Anjali and Sengupta, Durba} } @article {47431, title = {Caveolin mediated curvature and clustering: from simple to complex membrane}, journal = {Biophysical Journal}, volume = {120}, year = {2021}, month = {FEB }, pages = {232A-233A}, type = {Meeting Abstract}, issn = {0006-3495}, doi = {10.1016/j.bpj.2020.11.1542}, author = {Prakash, Shikha and Krishna, Anjali and Sengupta, Durba} } @article {47369, title = {Characterization of a novel nanocomposite film based on functionalized chitosan-Pt-Fe3O4 hybrid nanoparticles}, journal = {Nanomaterials}, volume = {11}, year = {2021}, month = {MAY}, pages = {1275}, type = {Article}, abstract = {

The development of organic-inorganic hybrids or nanocomposite films is increasingly becoming attractive in light of their emerging applications. This research focuses on the formation of a unique nanocomposite film with enhanced elasticity suitable for many biomedical applications. The physical property measurement system and transmission electron microscopy were used to analyze Pt-Fe3O4 hybrid nanoparticles. These nanohybrids exhibited magnetic effects. They were further exploited to prepare the nanocomposite films in conjunction with a chitosan-g-glycolic acid organic fraction. The nanocomposite films were then examined using standard techniques: thermogravimetric analysis, X-ray diffraction, Fourier transform infrared spectroscopy, and atomic force microscopy. Tensile strength testing demonstrated a significantly greater elastic strength of these nanocomposite films than pure chitosan films. The water absorption behavior of the nanocomposites was evaluated by measuring swelling degree. These nanocomposites were observed to have substantially improved physical properties. Such novel nanocomposites can be extended to various biomedical applications, which include drug delivery and tissue engineering.

}, keywords = {Chitosan, nanocomposite films, Pt-Fe3O4 hybrid nanoparticles, tensile strength testing, Thermogravimetric analysis}, doi = {10.3390/nano11051275}, author = {Kumari, Sangeeta and Singh, Raj Pal and Chavan, Nayaku N. and Sahi, Shivendra V. and Sharma, Nilesh} } @article {47045, title = {Chemistry, anti-diabetic activity and structural analysis of substituted dihydropyrimidine analogues}, journal = {Journal of Molecular Structure}, volume = {1227}, year = {2021}, month = {MAR }, pages = {129412}, type = {Article}, abstract = {

In an effort to identify an anti-diabetic agent, a series of methyl/ethyl 4-(hydroxyphenyl)-6-methyl-2-oxo/thioxo-1,2,3,4 tetrahydropyrimidine-5-carboxylate analogues (4a-h) have been synthesized, purified, and characterized by using Fourier-Transform Infrared Spectroscopy (FT-IR) and NMR (H-1 and C-13). The synthesized compounds were screened for anti-hyperglycemic activity using Streptozotocin (STZ) induced diabetic rat model. The anti-hyperglycemic activity of dihydropyrimidine (DHPM) compound is mainly analyzed with the variation of substituents present on the phenyl ring and urea/thiourea group on pharmacophoric features. Further, the crystal structure and supramolecular characteristics of two compounds 4c and 4f were analyzed through a single-crystal X-ray method and the Hirshfeld Surface Analysis, which shows hydrogen bonding through N-H center dot center dot center dot O and N-H center dot center dot center dot S interactions with the formation of ring motif in the crystal structure. It is interesting to note that among the title compounds, the 4a, 4e, 4f, and 4g significantly displayed a better hypoglycemic effect in vivo rat model study. (C) 2020 Elsevier B.V. All rights reserved.

}, keywords = {Dihydropyrimidine (DHPM), Hypoglycemia, Streptozotocin (STZ), Type-2 diabetes mellitus (T2DM)}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2020.129412}, author = {Bairagi, Keshab M. and Younis, Nancy Safwat and Emeka, Promise Madu and Venugopala, Katharigatta N. and Alwassil, I, Osama and Khalil, Hany Ezzat and Sangtani, Ekta and Gonnade, Rajesh G. and Mohanlall, Viresh and Nayak, Susanta K.} } @article {47373, title = {Chronic systemic exposure to IL6 leads to deregulation of glycolysis and fat accumulation in the zebrafish liver}, journal = {Biochimica ET Biophysica Acta-Molecular and Cell Biology of Lipids}, volume = {1866}, year = {2021}, month = {MAY}, pages = {158905}, type = {Article}, abstract = {

Inflammation is a constant in Non-Alcoholic Fatty Liver Disease (NAFLD), although their relationship is unclear. In a transgenic zebrafish system with chronic systemic overexpression of human IL6 (IL6-OE) we show that inflammation can cause intra-hepatic accumulation of triglycerides. Transcriptomics and proteomics analysis of the IL6-OE liver revealed a deregulation of glycolysis/gluconeogenesis pathway, especially a striking down regulation of the glycolytic enzyme aldolase b. Metabolomics analysis by mass spectrometry showed accumulation of hexose monophosphates and their derivatives, which can act as precursors for triglyceride synthesis. Our results suggest that IL6-driven repression of glycolysis/gluconeogenesis, specifically aldolase b, may be a novel mechanism for fatty liver. This mechanism may be relevant for NAFLD in lean individuals, an emerging class of NAFLD prevalent more in Asian Indian populations.

}, keywords = {Aldolase b, DHAP, Inflammation, Interleukin 6, Lean NAFLD, Non-alcoholic fatty liver}, issn = {1388-1981}, doi = {10.1016/j.bbalip.2021.158905}, author = {Singh, Manoj K. and Jayarajan, Rijith and Varshney, Swati and Upadrasta, Sindhuri and Singh, Archana and Yadav, Rajni and Scaria, Vinod and Sengupta, Shantanu and Shanmugam, Dhanasekaran and Shalimar and Sivasubbu, Sridhar and Gandotra, Sheetal and Sachidanandan, Chetana} } @article {47796, title = {Cobalt recovery from spent Li-ion batteries using lactic acid as dissolution agent}, journal = {Cleaner Engineering and Technology}, volume = {3}, year = {2021}, month = {JUL}, pages = {100122}, type = {Article}, abstract = {The effective recovery of cobalt from spent cathode materials is a critical issue and becomes a necessary assignment for the waste treatment of spent lithium-ion batteries (LIBs) in concern with waste to wealth. The dissolution process encompasses an organic acid leaching followed by recovery of pure Co oxalate. The use of lactic acid effectively improves the leaching of spent LiCoO2 materials with ascorbic acid. The leaching efficiencies of 99\% for Li and 98\% for Co were achieved under the optimal condition of 0.5~mol/L lactic acid and 0.02~mol/L ascorbic acid, solid/liquid ratio of 2~g/L, leaching time of 360~min and temperature of 90~{\textdegree}C. Based on the kinetic analysis, the enhancement leaching process is mainly on the concentration of dissolution reagent. Compared to other organic acids used previously, lactic acid showed better dissolution behavior.}, keywords = {Cathode recycling, Kinetic analysis, Lactic acid, Spent Li-ion batteries}, issn = {2666-7908}, doi = {10.1016/j.clet.2021.100122}, author = {G. Santhosh and G.P. Nayaka} } @article {47598, title = {Co-decorated tellurium nanotubes for energy storage applications}, journal = {ACS Applied Nano Materials}, volume = {4}, year = {2021}, month = {SEP}, pages = {9008-9021}, type = {Article}, abstract = {This paper explicitly discusses the synthesis of Co-decorated Te nanotubes (NTs) using Te NTs as the sacrificial template and the evaluation of their electrochemical performance. First, one-dimensional (1D) Te NTs were synthesized and characterized by spectroscopic and microscopic tools such as UV-visible spectroscopy, X-ray diffraction spectroscopy, X-ray photoelectron spectroscopy, field-emission scanning electron microscopy, high-resolution transmission electron microscopy, and energy-dispersive X-ray spectroscopy analyses. The as-prepared hexagonal Te NTs (h-Te NTs) possess diameters of about 35 +/- 5 nm and lengths of about 500 +/- 50 nm and were used for the synthesis of Co-decorated Te NTs. The 1D nanostructure with excellent conductivity enables the material to show excellent electrochemical performance. The asymmetric assembly of the CoTe-2//AC electrode material displayed a high specific capacitance of 147 F g(-1) (specific capacity, 162 C g(-1) at a current density of 2 A g(-1) in 4 M KOH electrolyte. In addition to that, the assembly of CoTe-2//AC achieved an excellent energy density of 51.1 W h kg(-1) at a power density of 2294 W kg(-1) and confirmed the as-synthesized Co-decorated Te NTs to be an excellent electrode material.}, keywords = {cobalt, nanotubes, pseudocapacitors, surfactant, Tellurium, template}, doi = {10.1021/acsanm.1c01613}, author = {Bhol, Prangya and Swain, Swarnalata and Jena, Satyaranjan and Bhatte, Kushal and Rout, Chandra Sekhar and Saxena, Manav and Jadhav, Arvind H. and Samal, Akshaya K.} } @article {47444, title = {Combating multi-drug resistant malaria parasite by inhibiting falcipain-2 and heme-polymerization: Artemisinin-peptidyl vinyl phosphonate hybrid molecules as new antimalarials}, journal = {European Journal of Medicinal Chemistry}, volume = {220}, year = {2021}, month = {AUG}, pages = {113454}, type = {Article}, abstract = {

Artemisinin-based combination therapies (ACTs) have been able to reduce the clinical and pathological malaria cases in endemic areas around the globe. However, recent reports have shown a progressive decline in malaria parasite clearance in South-east Asia after ACT treatment, thus envisaging a need for new artemisinin (ART) derivatives and combinations. To address the emergence of drug resistance to current antimalarials, here we report the synthesis of artemisinin-peptidyl vinyl phosphonate hybrid molecules that show superior efficacy than artemisinin alone against chloroquine-resistant as well as multidrug-resistant Plasmodium falciparum strains with EC50\ in pico-molar ranges. Further, the compounds effectively inhibited the survival of ring-stage parasite for laboratory-adapted artemisinin-resistant parasite lines as compared to artemisinin. These hybrid molecules showed complete parasite clearance in vivo using P. berghei mouse malaria model in comparison to artemisinin alone. Studies on the mode of action of hybrid molecules suggested that these artemisinin-peptidyl vinyl phosphonate hybrid molecules possessed dual activities: inhibited falcipain-2 (FP-2) activity, a P. falciparum cysteine protease involved in hemoglobin degradation, and also blocked the hemozoin formation in the food-vacuole, a step earlier shown to be blocked by artemisinin. Since these hybrid molecules blocked multiple steps of a pathway and showed synergistic efficacies, we believe that these lead compounds can be developed as effective antimalarials to prevent the spread of resistance to current antimalarials.

}, doi = {10.1016/j.ejmech.2021.113454}, author = {Aratikatla, Eswar K. and Kalamuddin, Md and Rana, Kalpeshkumar C. and Datta, Gaurav and Asad, Mohd and Sundararaman, Srividhya and Malhotra, Pawan and Mohmmed, Asif and Bhattacharya, Asish K.} } @article {47350, title = {Comparative studies of the influence of particle size on various pretreatments of rice husk by assessment of chemical and structural components and wastewater characteristics of liquid fraction}, journal = {Biomass Conversion and Biorefinery}, year = {2021}, month = {JUN }, type = {Article; Early Access}, abstract = {

The dilute acid (DA), steam explosion (SE), and a 2-step: steam explosion followed by alkali (SEA) were evaluated for pretreatment of rice husk. The maximum hemicellulose and lignin removal via degradation and dissolution was observed for SEA pretreatment, enabling higher cellulose enrichment (up to 44\% w/w) and recovery (up to 78\%). The hemicellulose solubilization was \>90\% for all the pretreatments, while maximum lignin removal (up to 62\%) was observed for SEA pretreatment. The particle size in the range of 0.3-0.6 mm enabled higher pretreatment efficiencies in terms of cellulose enrichment. The liquid fraction obtained after DA pretreatment indicated higher COD values (20800-24440 mg/L) as compared to SEA (7800-11400 mg/L) due to lower cellulose recoveries in DAP (54-68\%). SEM analysis of the biomass indicated disrupted regions with multiple pores. FTIR analysis revealed cleavage of lignin side chains, and XRD analysis confirmed the increase in cellulose crystallinity post-pretreatment.

}, keywords = {Lignocellulosic crop residues, Liquid-waste characterization, Particle size, Rice husk biomass, Steam explosion pretreatment}, issn = {2190-6815}, doi = {10.1007/s13399-021-01565-z, Early Access Date = JUN 2021}, author = {Shahabazuddin, Mohmmad and Banuvalli, Bhavana Karibasappa and Mulik, Nagesh and Pande, Ashwini and Bokade, Vijay and Mudliar, Sandeep Narayan} } @article {47449, title = {Comparison of glycoprofiles of rituximab versions licensed for sale in India and an analytical approach for quality assessment}, journal = {Journal of Proteomics }, volume = {244}, year = {2021}, month = {JUL}, pages = {104267}, type = {Article}, abstract = {

Glycosylation affects clinical efficacy and safety; therefore, is a critical quality attribute of therapeutic monoclonal antibodies. Glycans are often labile and complex in patterns, giving rise to macro- and micro-heterogeneity. Recombinant production, diverse geographical locations, associated transportation and storage conditions further compound the problem. Two-way studies comparing glycoprofile of the originator and its given biosimilar are aplenty. However, the extent of analytical variation and similarity in glycoprofile across all approved versions of a drug is hardly explored. Using UHPLC and mass spectrometry, we compared the glycoprofiles of eight rituximab drug samples licensed for sale in India. While the types of glycans were found identical, the abundance of some glycans varied significantly within the tested population. The quality range of glycosylation parameters of the tested sample population differed significantly from the previously established values for US/EU licensed rituximab. As the mean abundance of the 90\% of identified glycans falls within {\textpm}3SD, the extent of mutual variations amongst tested lots is less significant compared to the extreme deviation from previously established QR limits. Thus, we propose this approach as an orthogonal method to capture glycan variations in licensed versions of mAbs for quality surveillance and in cases where originator samples{\textquoteright} are limiting. SIGNIFICANCE: As fluctuation in glycosylation may be of clinical significance, we identify that a one-to-one comparison with originator alone is insufficient in sensing the extent of variations in glycosylation parameters in licensed biosimilars of a given therapeutic mAb. Here we propose that future biosimilarity analysis may include an orthogonal approach of generating an additional combined QR range representing variations across the originator and its biosimilars. The glycosylation profiles of eight rituximab drug samples of different make obtained from the point of sale in India were found identical amongst the tested rituximab versions. However, the QR limits corresponding to important glycosylation parameters differed significantly across all tested samples from the previously established QR limits of US- and EU-licensed rituximab in statistical terms. Such an approach may be useful in defining the true range of glycan variations in licensed versions of therapeutic mAbs.

}, doi = {10.1016/j.jprot.2021.104267}, author = {Kaur, Tejinder and Shukla, Bhupendra Nath and Yadav, Vinay Kumar and Kulkarni, Mahesh J. and Rao, Alka} } @article {47772, title = {Comprehensive tutorial on the pulsed laser deposition technique and developments in the fabrication of low dimensional systems and nanostructures}, journal = {Emergent Materials}, volume = {4}, year = {2021}, month = {JAN}, pages = {737{\textendash}754}, type = {Article}, abstract = {Pulsed laser deposition (PLD) is a simple and extremely versatile technique to grow thin films and nanomaterials of a wide variety of materials. PLD allows the deposition of profoundly different materials, including high-temperature superconductors, oxides, nitrides, carbides, semiconductors, metals, and even polymers or fullerenes with high deposition rates. Growing thin films using PLD is now being used around the world for prototyping thin films of many inorganic materials and even in device fabrication protocols. This article covers the detailed development, versatility, and reliability of the ultraviolet (UV) excimer laser. It is envisioned that this review article is of interest for both the materials and chemical scientists engaged in more fundamental aspects of pulsed laser ablation and deposition. The present article highlights the historical developments of PLD technique, complete mechanism of thin film fabrication, optimization of the quality of thin films and the fabrication of thin films of the materials like ZnO, Graphene, MoS2, and WS2 which are being explored for various potential applications.}, doi = {10.1007/s42247-020-00155-5}, author = {Masood, Khalid Bin and Kumar, Pushpendra and Malik, Mushtaq Ahmad and Singh, Jai} } @article {47383, title = {Concise/catalytic approach for the construction of the C14-C28 fragment of eribulin}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {MAY}, pages = {4542-4550}, type = {Article}, abstract = {

A simple approach for the synthesis of the C14-C28 fragment of eribulin has been developed by employing a one-pot gold-catalyzed alkynol cyclization/Kishi reduction to construct the 1,5-cis-tetrahydropyran unit and a cross-metathesis/Sharpless asymmetric dihydroxylation-cycloetherification to install the 1,4-trans-tetrahydrofuran ring. Use of easily accessible building blocks, ease of operation and catalytic transformations as key reactions for the construction of THF/THP units highlight the current approach.

}, issn = {1477-0520}, doi = {10.1039/d1ob00661d, Early Access Date = APR 2021}, author = {Senapati, Sibadatta and Ramana, V, Chepuri} } @article {47060, title = {Conductive interface promoted bifunctional oxygen reduction/evolution activity in an ultra-low precious metal based hybrid catalyst}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {FEB}, pages = {1951-1954}, type = {Article}, abstract = {

Ultra low PtPd alloy deposited on Ni12P5 nanostructures (PtPd/Ni12P5) exhibited enhanced ORR activity (onset: 1.003 V and E-1/2:0.95 V) on par with commercial Pt/C and superior OER activity with 81\% reduction of the precious metal compared to the commercial catalyst.

}, issn = {1359-7345}, doi = {10.1039/d0cc08225b}, author = {Sarkar, Shreya and Varghese, Merin and Vinod, C. P. and Peter, Sebastian C.} } @article {47037, title = {Conductive interface promoted bifunctional oxygen reduction/evolution activity in an ultra-low precious metal based hybrid catalyst (vol 57, pg 1951, 2021)}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {MAR }, pages = {2824}, type = {Correction}, issn = {1359-7345}, doi = {10.1039/d1cc90088a}, author = {Sarkar, Shreya and Varghese, Merin and Vinod, C. P. and Peter, Sebastian C.} } @article {47462, title = {Conformational plasticity and dynamic interactions of the N-terminal domain of the chemokine receptor CXCR1}, journal = {Plos Computational Biology}, volume = {17}, year = {2021}, month = {MAY}, type = {Article}, abstract = {

The dynamic interactions between G protein-coupled receptors (GPCRs) and their cognate protein partners are central to several cell signaling pathways. For example, the association of CXC chemokine receptor 1 (CXCR1) with its cognate chemokine, interleukin-8 (IL8 or CXCL8) initiates pathways leading to neutrophil-mediated immune responses. The N-terminal domain of chemokine receptors confers ligand selectivity, but unfortunately the conformational dynamics of this intrinsically disordered region remains unresolved. In this work, we have explored the interaction of CXCR1 with IL8 by microsecond time scale coarse-grain simulations, complemented by atomistic models and NMR chemical shift predictions. We show that the conformational plasticity of the apo-receptor N-terminal domain is restricted upon ligand binding, driving it to an open C-shaped conformation. Importantly, we corroborated the dynamic complex sampled in our simulations against chemical shift perturbations reported by previous NMR studies and show that the trends are similar. Our results indicate that chemical shift perturbation is often not a reporter of residue contacts in such dynamic associations. We believe our results represent a step forward in devising a strategy to understand intrinsically disordered regions in GPCRs and how they acquire functionally important conformational ensembles in dynamic protein-protein interfaces.

}, doi = {10.1371/journal.pcbi.1008593}, author = {Kharche, Shalmali and Joshi, Manali and Chattopadhyay, Amitabha and Sengupta, Durba} } @article {47500, title = {Conserved RNA binding activity of phosphatidyl inositol 5-phosphate 4-kinase (PIP4K2A)}, journal = {Frontiers in Molecular Biosciences}, volume = {8}, year = {2021}, month = {MAY}, pages = {631281}, type = {Article}, abstract = {Plasmodium falciparum is a causative agent for malaria and has a complex life cycle in human and mosquito hosts. During its life cycle, the malarial parasite Plasmodium goes through different asexual and sexual stages, in humans and mosquitoes. Expression of stage-specific proteins is important for successful completion of its life cycle and requires tight gene regulation. In the case of Plasmodium, due to relative paucity of the transcription factors, it is postulated that posttranscriptional regulation plays an important role in stage-specific gene expression. Translation repression of specific set of mRNA has been reported in gametocyte stages of the parasite. A conserved element present in the 3 {\textquoteleft} UTR of some of these transcripts was identified. Phosphatidylinositol 5-phosphate 4-kinase (PIP4K2A) was identified as the protein that associates with these RNA. We now show that the RNA binding activity of PIP4K2A is independent of its kinase activity. We also observe that PIP4K2A is imported into the parasite from the host on Plasmodium berghei and Toxoplasma gondii. The RNA binding activity of PIP4K2A seems to be conserved across species from Drosophila and C. elegans to humans, suggesting that the RNA binding activity of PIP4K may be important, and there may be host transcripts that may be regulated by PIP4K2A. These results identify a novel RNA binding role for PIP4K2A that may not only play a role in Plasmodium propagation but may also function in regulating gene expression in multicellular organisms.}, keywords = {malaria, posttranscriptional gene regulation, RNA-protein interaction, translation regulation}, doi = {10.3389/fmolb.2021.631281}, author = {Behari, Jatin and Borkar, Pranita and Vindu, Arya and Dandewad, Vishal and Upadrasta, Sindhuri and Shanmugam, Dhanasekaran and Seshadri, Vasudevan} } @article {47715, title = {Construction of IrO2@Mn3O4 core-shell heterostructured nanocomposites for high performance symmetric supercapacitor device}, journal = {Journal of Alloys and Compounds}, volume = {887}, year = {2021}, month = {DEC }, pages = {161328}, type = {Article}, abstract = {In the present work, we have designed and synthesized nanocomposite of IrO2@Mn3O4 with two-step simple and scalable chemical routes. In this route, nanofibers of IrO2 were synthesized by a single nozzle electrospinning technique onto which Mn3O4 was overlaid by a simple SILAR route. The ratio of Mn3O4 and IrO2 was varied by varying the SILAR cycles onto electrospun IrO2 thin film as 20, 40, 60, and 80 cycles. The structural, morphological, and energy storage performance of IrO2@Mn3O4 composite elec-trodes were investigated. A 2 V kinetic potential with a rectangular-shaped cyclic voltammogram was observed for the IrO2@Mn3O4 electrodes. Moreover, the specific capacitance of 1027 F/g at 1 mA/cm(2) was observed for the optimized electrode which is superior as compared with other electrodes. The opti-mized electrode showed better current and voltage than the individual compounds which might be due to the synergic effect of IrO2 and Mn3O4. Finally, a PVA-LiClO4 gel electrolyte-based solid-state IrO2@ Mn3O4//IrO2@Mn3O4 symmetric device was fabricated. The symmetric device possessed an energy density of 81 Wh/kg with a power delivery of 714 W/kg which was capable to light up a green LED. Hence, the 2D transition metal oxides laminated on 1D metal oxides with high conductivity can be promising electrodes for future research. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {And nanoflakes, Charge storage kinetics, Electrochemical properties, electrospinning, IrO2@Mn3O4 nanocomposite, nanofibers, SILAR}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.161328}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Shin, J. C. and Patil, P. S.} } @article {47631, title = {Construction of two-component chemically reactive supramolecular assemblies-acyl migration reactions in cocrystals of napthalene-2,3-diol and its diesters}, journal = {ChemPlusChem}, volume = {86}, year = {2021}, month = {AUG}, pages = {1128-1134}, type = {Article}, abstract = {Reactions in solids are of contemporary interest due to applications in pharmaceutical industries to environmental sustainability. Although several reactive crystals that support chemical reactions have been identified and characterized, the same cannot be said about reactive cocrystals. Earlier we correlated the facile acyl group transfer reactions in crystals with supramolecular parameters obtained from the crystal structures. The structure-reactivity correlation revealed the requirement of proper juxtaposition of electrophile (C=O) and the nucleophile (OH) with distance (similar to 3.2 angstrom) and angle (similar to 90 degrees) along the chain structure. The current article describes the preparation of cocrystals that are capable of supporting intermolecular acyl group transfer reactions in a group of structurally similar molecules. The cocrystals of naphthalene 2,3-diol and its corresponding diesters showed a facile solid state acyl transfer reaction, which has been well correlated with their crystal structures.}, keywords = {Acylation, domino reactions, intermolecular interactions, reaction in cocrystal, solid-state reactions, X-ray diffraction}, issn = {2192-6506}, doi = {10.1002/cplu.202100139}, author = {Bahadur, Vir and Gonnade, Rajesh G. and Tamboli, I. Majid and Krishnaswamy, Shobhana and Shashidhar, Mysore S.} } @article {47356, title = {Convenient semihydrogenation of azoarenes to hydrazoarenes using H-2}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {JUN}, type = {Article}, abstract = {

The high atom-economical and eco-benign nature of hydrogenation reactions make them much more superior to conventional reduction and transfer hydrogenation. Herein, a convenient and highly selective hydrogenation reaction of azoarenes using molecular hydrogen to access diverse hydrazoarenes is reported. The present catalytic method is general and operationally simple, and it operates under exceedingly mild conditions (room temperature and 1 atm of hydrogen pressure). The reusability of catalysts used in this method is also successfully demonstrated.

}, issn = {1477-0520}, doi = {10.1039/d1ob00850a, Early Access Date = MAY 2021}, author = {Sahoo, Manoj K. and Sivakumar, Ganesan and Jadhav, Sanjay and Shaikh, Samrin and Balaraman, Ekambaram} } @article {47734, title = {Copolymers of bipyridinium and metal (Zn \& Ni) porphyrin derivatives; theoretical insights and electrochemical activity towards CO2}, journal = {RSC Advances}, volume = {11}, year = {2021}, month = {JUN}, pages = {19844-19855}, type = {Article}, abstract = {This study reports the electropolymerization of novel keto functionalized octaethyl metal porphyrins (Zn2+ and Ni2+) in the presence of 4,4 {\textquoteleft}-bipyridine (4,4 {\textquoteleft}-bpy) as a bridging nucleophile. The polymer films were characterized by electrochemical, spectroscopic (UV-Vis, XPS, FT-IR and Raman spectroscopy) and imaging (AFM and SEM) techniques. The absorption and electronic spectra confirm the presence of both porphyrin and 4,4 {\textquoteleft}-bipyridine units in the film. The surface morphology reveals homogeneous film deposition with average roughness values of approx. 8 nm. The theoretical studies performed offered insights into the interplay of different metal centres (Zn2+ and Ni2+) and the keto functionality of the porphyrin unit in the formation of copolymer films. The electrochemical interaction of polymer films with CO2 suggests a reversible trap and release of CO2 with low energy barriers for both the polymers.}, doi = {10.1039/d1ra01945g}, author = {Kochrekar, Sachin and Kalekar, Ajit and Mehta, Shweta and Damlin, Pia and Salomaki, Mikko and Granroth, Sari and Meltola, Niko and Joshi, Kavita and Kvarnstrom, Carita} } @article {47700, title = {Cotton fabric decorated with manganese oxide nanorods as a supercapacitive flexible electrode for wearable electronics}, journal = {Applied Surface Science}, volume = {568}, year = {2021}, month = {DEC 1}, pages = {150968}, type = {Article}, abstract = {We present the fabrication (using a hydrothermal process) and the properties of wearable fabrics decorated with ultrathin manganese oxide (MnO2) nanorods for supercapacitor applications. The superior mechanical durability of the supercapacitor was confirmed by cyclic voltammetry (CV) curves, which showed little change during 1000 bending cycles. The pseudocapacitive properties of the ultrathin MnO2 nanorods were confirmed by recording the CV curves at various scan rates. The galvanostatic charge-discharge curves at various specific currents confirmed the pseudocapacitance of MnO2. The ultrathin MnO2 nanorods exhibited a superior capacitance of 508 F.g(-1) and an energy density of 35.3 Wh.kg(-1). The MnO2 electrode with optimal properties demonstrated stable long-term cycling performance with 90\% retention after 10,000 galvanostatic cycles.}, keywords = {Cotton fabric, Manganese oxide, Ultrafine nanostructures, Wearable supercapacitors}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.150968}, author = {Samuel, Edmund and Joshi, Bhavana and Kim, Yongil and Park, Chanwoo and Aldalbahi, Ali and El-Newehy, Mohamed and Lee, Hae-Seok and Yoon, Sam S.} } @article {47385, title = {Crack-free conjugated PbS quantum dot-hole transport layers for solar cells}, journal = {ACS Applied Nano Materials}, volume = {4}, year = {2021}, month = {APR}, pages = {4016-4025}, type = {Article}, abstract = {

Colloidal quantum dots (QDs) benefit from solution-phase processing and band-gap tuning for their application in solar cell development. Today{\textquoteright}s QD solar cells rely on solid-state ligand exchange (SLE) to replace bulky oleic acid (OA) ligands with small 1,2-ethanedithiol (EDT) ligands to develop a conducting hole transport layer (HTL). High volume contraction in EDT conjugated QD films, however, leads to crack and porosity in the HTL, which is a major cause of concern for the device reproducibility and large-area solar cell development. We show that partial removal of the OA ligands in the solution phase reduces the volume contraction in solid films, thereby allowing the growth of crack-free QD films in the SLE process. The cleaning of QDs by repeated precipitation and redispersion using a protic methanol (MeOH) solvent helps with partial removal of the OA ligands, but it is detrimental to the electronic properties of QDs. We develop a one-step solution-phase partial ligand-exchange process using ammonium salts, which enable partial replacement of the OA ligands and passivation of the QD surface. Introduction of the facile partial ligand-exchange process eliminates the need for tedious and wasteful multiple cleaning steps with MeOH, while improving the photophysical properties of QDs. The advancement in QD processing helps to build crack-free, smooth, and conjugated QD films for their deployment as HTLs in solar cell development. Partial ligand exchange with NH4SCN leads to a 1.5 times increase in p doping and mobility over multiple MeOH-cleaned PbS QD films. HTLs developed using NH4SCN QDs show an improved photovoltaic performance to attain a 10.5\% power conversion efficiency. Improvement in the depletion width and hole collection efficiency leads to a superior photovoltaic performance, as confirmed from experimental studies and one-dimensional solar cell capacitance simulation.

}, keywords = {Efficiency, ligand, polydispersity, quantum dot, solar cells, thin film}, issn = {2574-0970}, doi = {10.1021/acsanm.1c00373}, author = {Sharma, Ashish and Dambhare, V. Neha and Bera, Jayanta and Sahu, Satyajit and Rath, Arup K.} } @article {47421, title = {Curious case of aqueous warfarin: structural isomers or distinct excited states?}, journal = {Journal of Physical Chemistry B}, volume = {125}, year = {2021}, month = {MAR}, pages = {2871-2878}, type = {Article}, abstract = {

Warfarin is a potent anti-coagulant drug and is on the World Health Organization{\textquoteright}s List of Essential Medicines. Additionally, it displays fluorescence enhancement upon binding to human serum albumin, making warfarin a prototype fluorescent probe in biology. Despite its biological significance, the current structural assignment of warfarin in aqueous solution is based on indirect evidence in organic solvents. Warfarin is known to exist in different isomeric forms-open-chain, hemiketal, and anionic forms-based on the solvent and pH. Moreover, warfarin displays a dual absorption feature in several solvents, which has been employed to study the ring-chain isomerism between its open-chain and hemiketal isomers. In this study, our pH-dependent experiments on warfarin and structurally constrained warfarin derivatives in aqueous solution demonstrate that the structural assignment of warfarin solely on the basis of its absorption spectrum is erroneous. Using a combination of steady-state and time-resolved spectroscopic experiments, along with quantum chemical calculations, we assign the observed dual absorption to two distinct pi -\>pi* transitions in the 4-hydroxycoumarin moiety of warfarin. Furthermore, we unambiguously identify the isomeric form of warfarin that binds to human serum albumin in aqueous buffer.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.0c10824}, author = {Sakpal, Sushil S. and Ghosh, Deborin and Manae, Meghna A. and Hazra, Anirban and Bagchi, Sayan} } @article {47381, title = {D-A-D based complementary unsymmetrical squaraine dyes for co-sensitized solar cells: enhanced photocurrent generation and suppressed charge recombination processes by controlled aggregation}, journal = {ACS Applied Energy Materials}, volume = {4}, year = {2021}, month = {APR}, pages = {3182-3193}, type = {Article}, abstract = {

A series of donor-acceptor-donor (D-A-D) based unsymmetrical squaraine dyes have been synthesized with indoline and aniline as donor units. The sp(3)-C, N atoms of the indoline and N atom of the aniline donors are appended with alkyl groups systematically to control the self-assembly of dyes on TiO2 and to passivate the photoanode that helps in improving the open circuit voltage (V-oc) of the dye-sensitized solar cell (DSSC) device. The resulting dyes, AK1-4, possess strong absorptions between 529 and 541 nm with extinction coefficients of 1.44-1.84 X 10(5) M-1 cm(-1). Photophysical and electrochemical studies revealed that the lowest unoccupied molecular orbital and highest occupied molecular orbital of the dyes are aligned with the conduction band of TiO2 and the redox function of the electrolyte for the efficient charge injection and dye regeneration processes, respectively. A DSSC device performance for AK4 of 7.93\% (V-oc of 815.88 mV and short circuit current density (J(sc)) of 12.4 mA/cm(2)) is obtained, with an incident photon to current conversion efficiency (IPCE) response of 92\% at 473 nm and 86\% at 566 nm without sensitizing with coadsorbent. IPCE studies revealed the equal contribution for the photocurrent generation from the H-aggregated structures. Further, such a high V-oc and DSSC efficiency have been observed first time for this class of zwitterionic dyes with the I-/I-3(-) electrolyte without sensitizing with coadsorbent. The importance of introducing the alkyl groups at the indoline as well as aniline donor units for the synergistic boosting of both V-oc, and J(sc) is compared with the model dye AK1. Complementary light absorbing dyes SQ1 and SQS4 possess absorption at 643 nm with extinction coefficients of 1.4 and 3.0 x 10(5) M-1 cm(-1), respectively. A cosensitized device performance of 9.36\% is obtained for the AK4:SQS4 (1:1) combination in the I-/I-3(-) electrolyte. The IPCE profile indicates a good response over 450-700 nm with 94\% at 621 nm. The importance of aggregated structures from both the dyes AK4 and SQS4 for photocurrent generation is realized.

}, keywords = {aggregation of dyes, co-sensitization, extension of conjugation, H-aggregate, squaraine dyes}, issn = {2574-0962}, doi = {10.1021/acsaem.0c02966}, author = {Singh, Ambarish Kumar and Veetil, Athulya Nellur and Nithyanandhan, Jayaraj} } @article {47644, title = {Deoxygenative hydroboration of primary and secondary amides: a catalyst-free and solvent-free approach}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {OCT }, pages = {10596-10599}, type = {Article}, abstract = {In contrast to the recent reports on catalytic hydroboration of amides to amines with pinacolborane (HBpin), a simple catalyst-free and solvent-free method for the hydroboration of a variety of amides has been realized. To get the mechanistic insights, DFT calculations have been performed.}, issn = {1359-7345}, doi = {10.1039/d1cc04148g}, author = {Kumar, Rohit and Bisai, Milan Kumar and Jain, Shailja and Vanka, Kumar and Sen, Sakya S.} } @article {47591, title = {Design and scale-up of continuous di-nitration reaction using pinched tube flow reactor}, journal = {Journal of Flow Chemistry}, volume = {11}, year = {2021}, month = {SEP}, pages = {611-624}, type = {Article}, abstract = {Scale-up of the di-nitration reaction for synthesis of selective herbicide pendimethalin using only nitric acid in continuous flow is presented in this work. This work showcases an approach for smooth scale-up for an herbicide for a production capacity of 50 kg/day using a pinched tube reactor. The approach begins with the batch experiments followed by flow synthesis using a 1/8-inchSS316 helical coil tube where kinetics of the di-nitration was determined, and process optimization was done. Systematic approach was followed for quantification of heat transfer, mass transfer and residence time distribution and scale-up. Detailed scale-up methodology is presented with effect of relevant parameters for successful scale-up. Modular pilot plant with inline quenching, extraction and separation are some of the salient features presented in this work.}, keywords = {continuous flow, nitration, Pinched tube, RTD, scale-up}, issn = {2062-249X}, doi = {10.1007/s41981-021-00182-1}, author = {Hussain, Arshad and Sharma, Mrityunjay and Patil, Suneha and Acharya, Roopashree B. and Kute, Mahesh and Waghchaure, Aishwarya and Kulkarni, Amol A.} } @article {47087, title = {Design and synthesis of a new topical agent for halting blood loss rapidly: a multimodal chitosan-gelatin xerogel composite loaded with silica nanoparticles and calcium}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {198}, year = {2021}, month = {FEB}, pages = {111454}, type = {Article}, abstract = {

Uncontrolled hemorrhage often causes death during traumatic injuries and halting exsanguination topically is a challenge. Here, an efficient multimodal topical hemostat was developed by (i) ionically crosslinking chitosan and gelatin with sodium tripolyphosphate for (ii) fabricating a robust, highly porous xerogel by lyophilization having 86.7 \% porosity, by micro-CT and large pores similar to 30 mu m by SEM (iii) incorporating 0.5 mg synthesized silica nanoparticles (SiNPs, 120 nm size, -22 mV charge) and 2.5 mM calcium in xemgel composite that was confirmed by FTIR analysis with peaks at 3372, 986 and 788 cm(-1), respectively. XPS analysis displayed the presence of SiNPs (Si2p peak for silicon) and calcium (Ca2p1, Ca2p3 transition peaks) in the composite. Interestingly, in silico percolation simulation for composite revealed interlinked 800 mu m long-conduits predicting excellent absorption capacity and validated experimentally (640 \% of composite dry weight). The composite achieved \>16-fold improved blood clotting in vitro than commercial Celox and Gauze through multimodal interaction of its components with RBCs and platelets. The composite displayed good platelet activation and thrombin generation activities. It displayed high compressive strength (2.45 MPa) and withstood pressure during application. Moreover, xerogel composite showed high biocompatibility. In vivo application of xerogel composite to lethal femoral artery injury in rats achieved hemostasis (2.5 min) significantly faster than commercial Celox (3.3 min) and Gauze (4.6 min) and was easily removed from the wound. The gamma irradiated composite was stable till 1.5 yr. Therefore, the xerogel composite has potential for application as a rapid topical hemostatic agent.

}, keywords = {Hemostatic, Polymer, silica nanoparticles, Xerogel}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2020.111454}, author = {Patil, Gokul and Torris, Arun and Suresha, P. R. and Jadhav, Sachin and Badiger, V. Manohar and Ghormade, Vandana} } @article {47457, title = {Design, synthesis, and structural analysis of cladosporin-based inhibitors of malaria parasites}, journal = {ACS Infectious Diseases}, volume = {7}, year = {2021}, month = {JUL}, pages = {1777{\textendash}1794}, type = {Article}, abstract = {

Here we have described a systematic structure activity relationship (SAR) of a set of compounds inspired from cladosporin, a tool compound that targets parasite (Plasmodium falciparum) lysyl tRNA synthetase (KRS). Four sets of analogues, synthesized based on point changes in the chemical scaffold of cladosporin and other logical modifications and hybridizations, were assessed using high throughput enzymatic and parasitic assays along with\ in vitro\ pharmacokinetics. Co-crystallization of the most potent compound in our series (CL-2) with\ PfKRS revealed its structural basis of enzymatic binding and potency. Further, we report that\ CL-2\ has performed better than cladosporin in terms of metabolic stability. It thus represents a new lead for further optimization toward the development of antimalarial drugs. Collectively, along with a lead compound, the series offers insights on how even the slightest chemical modification might play an important role in enhancing or decreasing the potency of a chemical scaffold.

}, doi = {10.1021/acsinfecdis.1c00092}, author = {Babbar, Palak and Das, Pronay and Manickam, Yogavel and Mankad, Yash and Yadav, Swati and Parvez, Suhel and Sharma, Amit and Reddy, Srinivasa} } @article {47707, title = {Development of aerial and belowground tubers in potato is governed by photoperiod and epigenetic mechanism}, journal = {Plant Physiology}, volume = {187}, year = {2021}, month = {NOV}, pages = {1071-1086}, type = {Article}, abstract = {Plants exhibit diverse developmental plasticity and modulate growth responses under various environmental conditions. Potato (Solanum tuberosum), a modified stem and an important food crop, serves as a substantial portion of the world{\textquoteright}s subsistence food supply. In the past two decades, crucial molecular signals have been identified that govern the tuberization (potato development) mechanism. Interestingly, microRNA156 overexpression in potato provided the first evidence for induction of profuse aerial stolons and tubers from axillary meristems under short-day (SD) photoperiod. A similar phenotype was noticed for overexpression of epigenetic modifiers-MUTICOPY SUPRESSOR OF IRA1 (StMSI1) or ENAHNCER OF ZESTE 2 (StE[z]2), and knockdown of B-CELL-SPECIFIC MOLONEY MURINE LEUKEMIA VIRUS INTEGRATION SITE 1 (StBMI1). This striking phenotype represents a classic example of modulation of plant architecture and developmental plasticity. Differentiation of a stolon to a tuber or a shoot under in vitro or in vivo conditions symbolizes another example of organ-level plasticity and dual fate acquisition in potato. Stolon-to-tuber transition is governed by SD photoperiod, mobile RNAs/proteins, phytohormones, a plethora of small RNAs and their targets. Recent studies show that polycomb group proteins control microRNA156, phytohormone metabolism/transport/signaling and key tuberization genes through histone modifications to govern tuber development. Our comparative analysis of differentially expressed genes between the overexpression lines of StMSI1, StBEL5 (BEL1-LIKE transcription factor [TF]), and POTATO HOMEOBOX 15 TF revealed more than 1,000 common genes, indicative of a mutual gene regulatory network potentially involved in the formation of aerial and belowground tubers. In this review, in addition to key tuberization factors, we highlight the role of photoperiod and epigenetic mechanism that regulates the development of aerial and belowground tubers in potato.}, issn = {0032-0889}, doi = {10.1093/plphys/kiab409}, author = {Kondhare, Kirtikumar R. and Kumar, Amit and Patil, Nikita S. and Malankar, Nilam N. and Saha, Kishan and Banerjee, Anjan K.} } @article {47410, title = {Direct synthesis of mesoporous siliceous phosphotungstic acid and its superior catalytic activity on the cyclohexylation of phenol}, journal = {Journal of Physical Chemistry C }, volume = {125}, year = {2021}, month = {APR }, pages = {6723-6734}, type = {Article}, abstract = {

The synthesis of highly active and reusable mesoporous siliceous phosphotungstic acid materials (mPTA-Si) which are prepared through a simple self-assembly between phosphotungstic acid (PTA), the polymeric surfactant, and the silica precursor assisted by KCl for cyclohexylation of phenol is reported. The surface area and the acidity of these materials are tuned with a simple adjustment of PTA in the silica framework. The prepared samples exhibit mesoporous structure with a high surface area, but the structure is collapsed when the loading of PTA is high. It is established that the Keggin structure of PTA is retained on the final mPTA-Si. mPTA-Si with different loadings of PTA are employed as the catalysts for the cyclohexylation of phenol under liquid phase conditions. Among the catalysts studied, 10.0-mPTA-8.3Si calcined at 350 degrees C is found to be highly active, selective, and recyclable and offers 100\% conversion of phenol with the highest selectivity for p-cyclohexylphenol (96.8\%).

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.1c01596}, author = {Ilbeygi, Hamid and Sawant, Dhanashri P. and Ruban, Sujanya M. and Reshma, Kokane S. and Umbarkar, Shubhangi B. and Halligudi, Shivappa B. and Vinu, Ajayan} } @article {47422, title = {Diverse reactivity of carbenes and silylenes towards fluoropyridines}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {MAY }, pages = {4428-4431}, type = {Article}, abstract = {

The reaction of IDipp with C5F5N led to functionalization of all three carbon atoms of the imidazole ring with HF2- as the counter-anion (1). Reactivity with 2,3,5,6-tetrafluoropyridine gives only C-F bond activation leaving C-H bonds intact (5b). The reaction of SIDipp with C5F5N in the presence of BF3 afforded the ring cleavage product (3). Analogous reactions with silylene led to oxidative addition at the Si(II) center.

}, issn = {1359-7345}, doi = {10.1039/d1cc01401c, Early Access Date = MAR 2021}, author = {Kundu, Gargi and Ajithkumar, V. S. and Bisai, Milan Kumar and Tothadi, Srinu and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {47086, title = {Diverse reactivity of hypersilylsilylene with boranes and threecomponent reactions with aldehyde and HBpin}, journal = {Inorganic Chemistry}, volume = {60}, year = {2021}, month = {FEB }, pages = {1654-1663}, type = {Article}, abstract = {

The recently reported hypersilylsilylene PhC-(NtBu)(2)SiSi(SiMe3)(3) (1) reacts with BH3, 9-BBN, and PhBCl2 to yield the respective Lewis acid base adducts 2-4, respectively. Compound 4 undergoes isomerization to form a ring expansion product 5. The same silylene was found to initially form an adduct with HBpin (6) and subsequently isomerized to 7 via the rupture of the B-H bond of HBpin (7), where the hydride was bound to the carbon atom of the amidinate ligand and the Bpin unit was attached to the silicon center. Surprisingly, the reaction of 1 with HBcat results in PhC(NtBu)(2)Bcat (8). Subsequently, we have shown that HBcat forms the same product when it reacts with related silylene PhC(NtBu)(2)SiN(SiMe3)(3) (1{\textquoteright}). With all of these reactions in hand, we ponder if silylene can activate two small molecules at one time. In this work, we delineate the three-component reactions of silylenes 1 and 1{\textquoteright} with 4-fluorobenzaldehyde and HBpin, which afforded unusual coupling products, 9 and 10, respectively. Note that 9 and 10 were prepared from the cleavage of the B-H and C=O bonds by silylene in a single reaction and are the first structurally attested Si-C-O-B coupled products.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.0c03137}, author = {Bisai, Milan Kumar and Swamy, V. S. V. S. N. and Raj, K. Vipin and Vanka, Kumar and Sen, Sakya S.} } @article {47379, title = {Diverse reactivity of NOBF4 towards silylene, disilene, germylene and stannylene}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {MAY}, pages = {5008-5011}, type = {Article}, abstract = {

{The reactivity of NOBF4 towards silylene, disilene, germylene, stannylenes has been described. Smooth syntheses of compounds of composition [PhC(NtBu)(2)E(= O -\> BF3)N(SiMe3)(2)

}, issn = {1359-7345}, doi = {10.1039/d1cc01034d, Early Access Date = APR 2021}, author = {Parvin, Nasrina and Sen, Nilanjana and Muhasina, Puthan Veetil and Tothadi, Srinu and Parameswaran, Pattiyil and Khan, Shabana} } @article {47106, title = {Dynamic coupling analysis on plant sesquiterpene synthases provides leads for the identification of product specificity determinants}, journal = {Biochemical and Biophysical Research Communications}, volume = {536}, year = {2021}, month = {JAN }, pages = {107-114}, type = {Article}, abstract = {

Sesquiterpene synthases catalyse cyclisation of farnesyl pyrophosphate to produce diverse sesquiterpenes. Despite utilising the same substrate and exhibiting significant sequence and structural homology, these enzymes form different products. Previous efforts were based on identifying the effect of divergent residues present at the catalytic binding pocket on the product specificity of these enzymes. However, the rationales deduced for the product specificity from these studies were not generic enough to be applicable to other phylogenetically distant members of this family. To address this problem, we have developed a novel approach combining sequence, structural and dynamical information of plant sesquiterpene synthases (SSQs) to predict product modulating residues (PMRs). We tested this approach on the SSQs with known PMRs and also on sesquisabinene synthase 1 (SaSQS1), a SSQ from Indian sandalwood. Our results show that the dynamical sectors of SSQs obtained from molecular dynamics simulation and their hydrophobicity and vicinity indices together provide leads for the identification of PMRs. The efficacy of the technique was tested on SaSQS1 using mutagenesis. To the best of our knowledge, this is a first technique of this kind which provides cues on PMRs of SSQs, with divergent phylogenetic relationship. (C) 2020 Elsevier Inc. All rights reserved.

}, keywords = {molecular dynamics, Product specificity, Sesquiterpene synthases, Statistical coupling analysis, X-ray crystallography}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2020.12.041}, author = {Singh, Sneha and Thulasiram, V, Hirekodathakallu and Sengupta, Durba and Kulkarni, Kiran} } @article {47388, title = {Easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles via [3+2] annulation}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {MAY}, pages = {4338-4345}, type = {Article}, abstract = {

A highly regioselective [3 + 2] annulation of Morita-Baylis-Hillman (MBH) carbonates of isatin with aurone/thioaurone is developed. Spiroheterocycles such as spirooxindole cyclopentadiene and spirooxindole fused hydroxy cyclopentene derivatives are constructed in one pot by exploring the reactivity of Lewis bases. Combined experimental and density functional theory (DFT) calculations offered an insight into the reaction mechanism.

}, issn = {1477-0520}, doi = {10.1039/d1ob00514f, Early Access Date = APR 2021}, author = {Warghude, Prakash K. and Sabale, Abhijeet S. and Dixit, Ruchi and Vanka, Kumar and Bhat, Ramakrishna G.} } @article {47370, title = {Effect of wettability on hydrodynamics and mass transfer in small capillaries}, journal = {Chemical Engineering Research \& Design}, volume = {169}, year = {2021}, month = {MAY}, pages = {265-274}, type = {Article}, abstract = {

The wettability of the reactor wall has a significant effect on the interfacial liquid?liquid mass transfer rates in segmented flow. This work quantitatively demonstrates the importance of choosing the right material of construction of flow reactors to achieve the desired mass transfer performance. Glass and PTFE capillaries of identical diameter were used to study the effect of hydrophilic and hydrophobic surfaces on the hydrodynamics and mass transfer of the system. It was observed that for the overall mass transfer coefficient (kLa) changed by two orders of magnitude depending on the wettability of the continuous phase. The observations indicated that it is essential to achieve complete wetting of the capillary walls by the continuous phase for significant mass transfer enhancement. The observations are discussed on the basis of film thickness and slip velocity at the wall as well as the slip velocity at liquid?liquid interface. Predictions of the mass transfer coefficient using a model based on the interfacial and fluid properties showed excellent match with the experiments thereby allowing us to explore the effects of wettability on the overall mass transfer coefficient in greater detail. ? 2021 Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.

}, keywords = {Liquid?liquid slug flow, Mass transfer, Slip velocity, Wettability}, issn = {0263-8762}, doi = {10.1016/j.cherd.2021.03.023}, author = {Sampat, Chaitanya and Pal, Sayan and Kulkarni, Amol A.} } @article {47109, title = {Efficient catalytic transfer hydrogenation-hydrodeoxygenation of lignin derived monomers: investigating catalyst properties-activity correlation}, journal = {Catalysis Communications}, volume = {149}, year = {2021}, month = {JAN }, pages = {106220}, type = {Article}, abstract = {

Reduction of O/C ratio of lignin derived monomers via hydrodeoxygenation (HDO) pathway is conventionally furnished using molecular hydrogen under severe conditions. Nonetheless, due to a prerequisite to accomplish HDO through commercially attractive methodology we report, HDO reactions of various phenolic compounds via catalytic transfer hydrogenation (CTH) pathway using very low loading of Ru (0.5 wt\%) on neutral and acidic Al2O3 under nitrogen atmosphere. With guaiacol as a substrate, 74\% cyclohexanol yield at 225 degrees C in the presence of IPA is realized. Bi-functionality of metal state, acidity of support and nature of alcohol are perceived to be responsible for the variation in activity.

}, keywords = {Catalytic transfer hydrogenation (CTH), Cyclohexanol, Hydrodeoxygenation, lignin, Supported metal catalysts}, issn = {1566-7367}, doi = {10.1016/j.catcom.2020.106220}, author = {Singh, Dheerendra and Dhepe, Paresh L.} } @article {46895, title = {Eichhornia crassipes mediated bioinspired synthesis of crystalline nano silver as an integrated medicinal material: a waste to value approach}, journal = {Journal of Cluster Science}, volume = {32}, year = {2021}, month = {MAR}, pages = {391-404}, type = {Article}, abstract = {

The present study deals with the synthesis of silver nanoparticles from Eichhornia crassipes. Dynamic light scattering (DLS), Transmission electron microscopy (TEM), UV-Vis spectroscopy, Fourier Transform Infrared (FTIR) spectroscopy and X-ray diffraction (XRD) were performed for nanoparticle characterization. The aqueous plant extract of Eichhornia crassipes was phytochemically analyzed for phenol, flavonoid, reducing sugar content, alkaloids, saponins and carotenoids. The synthesized particles after optimization of important parameters have an average diameter of 12.48 +/- 3.43 nm with a spherical morphology and zeta potential of - 31.53 mV. At 100 mu g/ml of nanoparticle concentration, the antioxidant activity of 93.6\% was observed. MIC (Minimum inhibitory concentration) values exhibiting the antimicrobial attributes reported an estimated value of 7.8 mu g/ml for gram-negative and higher values of 31.25 and 250 mu g/ml for gram-positive bacteria. The antibiofilm assay showed 86.89\% and 74.7\% of the reduction in violacein synthesis and biofilm inhibition respectively at 15 mu g/ml nanoparticle concentration. The anticancer assay reported the IC50 (Inhibitory concentration) values of 13.32, 14.71 and 19.91 mu g/ml for HeLa, HCT 116 and L6 cell lines respectively. Thus the study establishes a significant integrative treatment to combat secondary infections in cancer patients. Graphic

}, keywords = {antibacterial activity, Antibiofilm activity, Anticancer activity, Antioxidant activity, Eichhornia crassipes, silver nanoparticles}, issn = {1040-7278}, doi = {10.1007/s10876-020-01797-5, Early Access Date = APR 2020}, author = {Moudgil, Aliesha and Deval, Animesh S. and Dharne, Mahesh S. and Sarkar, Dhiman M. and Choudhari, Amit S. and Chaudhari, Bhushan P.} } @article {47357, title = {Elastic piezoelectric aerogels from isotropic and directionally ice-templated cellulose nanocrystals: comparison of structure and energy harvesting}, journal = {Cellulose}, volume = {28}, year = {2021}, month = {JUL}, pages = {6323-6337}, type = {Article}, abstract = {

We report the preparation of highly compressible and elastic piezoelectric aerogels of carboxylated cellulose nanocrystals (CNCs). Aqueous CNC dispersions containing polyethyleneimine and crosslinker were frozen isotropically to yield isotropic aerogels, while oriented aerogels were prepared by directional freezing. These aerogels were highly flexible and porous (similar to 85\% void fraction), exhibiting greater than 90\% recovery at 50\% compressive strain even after 100 compression-decompression cycles. Since such aerogels with low bulk modulus and high anisotropy would be an ideal platform for leveraging the piezoelectric properties of CNCs, we used them to prepare piezoelectric nanogenerator devices and determined their energy transduction behavior. Anisotropic aerogels led to an enhanced open-circuit voltage of 840 mV (at similar to 8 N applied force), which is over 2.6 times higher than isotropic aerogels (320 mV). The energy density of anisotropic aerogels was around 52 nW/cm(2), representing outstanding piezoelectric performance for cellulose-based aerogels. Such aerogels with high compressibility, elastic recovery and exceptional piezoelectric performance could have potential applications in sensors, wearable electronics, etc.

}, keywords = {Aerogel, Anisotropic, Cellulose nanocrystals, energy harvesting, Piezoelectricity}, issn = {0969-0239}, doi = {10.1007/s10570-021-03896-6, Early Access Date = MAY 2021}, author = {Ram, Farsa and Biswas, Bipul and Torris, Arun and Kumaraswamy, Guruswamy and Shanmuganathan, Kadhiravan} } @article {47736, title = {Elucidating the effect of CaF2 on structure, biocompatibility and antibacterial properties of S53P4 glass (vol 831, 154704, 2020)}, journal = {Journal of Alloys and Compounds}, volume = {883}, year = {2021}, month = {NOV}, pages = {161253}, type = {Correction}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.161253}, author = {Prasad, Sakthi and Ganisetti, Sudheer and Jana, Anuradha and Kant, Shashi and Sinha, P. K. and Tripathy, Sucheta and Illath, Kavya and Ajithkumar, T. G. and Annapurna, K. and Allu, Amarnath R. and Biswas, Kaushik} } @article {47415, title = {Emergence of cooperatively reorganizing cluster and super-Arrhenius dynamics of fragile supercooled liquids}, journal = {Physical Review E}, volume = {103}, year = {2021}, month = {MAR}, pages = {032611}, type = {Article}, abstract = {

In this paper, we develop a theory to calculate the structural relaxation time tau(alpha) of fragile supercooled liquids. Using the information of the configurational entropy and structure, we calculate the number of dynamically free, metastable, and stable neighbors around a central particle. In supercooled liquids, the cooperatively reorganizing clusters (CRCs) in which the stable neighbors form {\textquoteleft}{\textquoteleft}stable{\textquoteright}{\textquoteright} nonchemical bonds with the central particle emerge. For an event of relaxation to take place, these bonds have to reorganize irreversibly; the energy involved in the processes is the effective activation energy of relaxation. The theory brings forth a temperature T-a and a temperature-dependent parameter psi(T) which characterize slowing down of dynamics on cooling. It is shown that the value of psi(T) is equal to 1 for T \> T-a, indicating that the underlying microscopic mechanism of relaxation is dominated by the entropy-driven processes, while for T \< T-a, psi(T ) decreases on cooling, indicating the emergence of the energy-driven processes. This crossover of psi(T) from high to low temperatures explains the crossover seen in tau(alpha). The dynamics of systems that may have similar static structure but very different dynamics can be understood in terms of psi(T). We present results for the Kob-Anderson model for three densities and show that the calculated values of tau(alpha) are in excellent agreement with simulation values for all densities. We also show that when psi(T), tau(alpha), and other quantities are plotted as a function of T/T-a, (or Ta/T), the data collapse on master curves.

}, issn = {2470-0045}, doi = {10.1103/PhysRevE.103.032611}, author = {Singh, Ankit and Bhattacharyya, Sarika Maitra and Singh, Yashwant} } @article {47626, title = {Enantioselective synthesis of 5,6-dihydroindolizines by N-heterocyclic carbene (NHC)-catalyzed core-structure-inspired strategy of azolium-enolate cascade}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {JUL }, pages = {5223-5228}, type = {Article}, abstract = {The core-structure motivated design has allowed the enantioselective synthesis of 5,6-dihydroindolizines via N-heterocyclic carbene (NHC) catalysis. The NHC-catalyzed reaction of alpha,beta-unsaturated aldehydes with the suitably substituted pyrrole derivatives proceed via the initial generation of alpha,beta-unsaturated acylazoliums from enals, and enolates from pyrroles and the reaction culminated in an efficient cascade process involving the Michael-aldol-lactonization-decarboxylation sequence to afford the products in reasonable yields and high selectivities. The method is further extended to the construction of spirocyclic 5,6-dihydroindolizines.}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c01761}, author = {Ghosh, Arghya and Shee, Sayan and Barik, Shilpa and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {47135, title = {Energy and life cycle impact assessment for xylitol production from corncob}, journal = {Journal of Cleaner Production}, volume = {278}, year = {2021}, month = {JAN }, pages = {123217}, type = {Article}, abstract = {

The conversion of biobased feedstocks into energy and value-added chemicals is one main approach to address the current global challenge for waste mitigation through the biorefinery mode. Corncob biomass which is one of the most abundant agricultural residue in India with a high hemicellulose content, can serve as a potential low-cost raw material for food-grade xylitol production. The present study demonstrates a process for xylitol production from corncob biomass with detailed energy and life cycle analysis for viability assessment. The major highlight of the process is the use of microbial fermentation, where biomass-derived D-xylose is converted to xylitol with high selectivity. Overall, 0.502 kg of xylitol crystals could be produced from 3.5 kg of corncob biomass. Simulation analysis revealed that the evaporators are the primary consumers of energy, and the process of heat integration can significantly reduce the energy requirements of the overall process. Environmental impacts of the system evaluated showed emission results of 8.68 kg CO2 equivalent and revealed that marine aquatic and freshwater eco-toxicity are the only possible contributors to the environment. The results suggest that the process would have favourable energy balances, which can be used in pilot plant and heat exchanger network design and operation for xylitol production scale up to 500 L. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {biomass valorization, Life cycle impact assessment, simulation, xylitol}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2020.123217}, author = {Dasgupta, Diptarka and Sidana, Arushdeep and Ghosh, Prasenjit and Sharma, Tripti and Singh, Jasvinder and Prabhune, Asmita and More, Snehal and Bhaskar, Thallada and Ghosh, Debashish} } @article {47029, title = {Enhanced electrocatalytic activity of PtRu/nitrogen and sulphur co-doped crumbled graphene in acid and alkaline media}, journal = {Journal of Colloid and Interface Science}, volume = {590}, year = {2021}, month = {MAY }, pages = {154-163}, type = {Article}, abstract = {

The low mass activity and high price of pure platinum (Pt)-based catalysts predominantly limit their large-scale utilization in electrocatalysis. Therefore, the reduction of Pt amount while preserving the electrocatalytic efficiency represents a viable alternative. In this work, we prepared new PtRu2 nanoparticles supported on sulphur and nitrogen co-doped crumbled graphene with trace amounts of iron (PtRu2/PF) electrocatalysts. The PtRu2/PF catalysts exhibited enhanced electrocatalytic performance and stability for the hydrogen evolution reaction (HER) at pH = 0. Moreover, the prepared PtRu2/PF electrocatalyst displayed higher HER activity than commercial 20\% Pt/C. The PtRu2/PF catalyst achieved a current density of 10 mA cm(-2) at an overpotential value of only 22 mV for HER, performing better activity than many other Pt-based electrocatalysts. Besides, the PtRu2/PF revealed a good performance for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) in alkaline media. The PtRu2/PF catalyst recorded a current density of 10 mA cm(-2) at an overpotential of only 270 mV for OER in KOH (1.0 M) solution and an onset potential of 0.96 V vs. RHE (at 1 mA cm(-2)) for ORR in KOH (0.1 M) solution. (C) 2021 Elsevier Inc. All rights reserved.

}, keywords = {HER, OER, ORR, PtRu2, Sulphur and nitrogen co-doped crumbled graphene}, issn = {0021-9797}, doi = {10.1016/j.jcis.2021.01.049}, author = {Pang, Liuqing and Miao, Yuanyuan and Bhange, Siddheshwar N. and Barras, Alexandre and Addad, Ahmed and Roussel, Pascal and Amin, Mohammed A. and Kurungot, Sreekumar and Szunerits, Sabine and Boukherroub, Rabah} } @article {47628, title = {Enhanced one-pot selective conversion of cellulose to ethylene glycol over NaZSM-5 supported metal catalysts}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {OCT}, pages = {19244-19254}, type = {Article}, abstract = {The mesopores interconnected with microporous NaZSM-5 was synthesised by sol-gel method. Reactions involving cellulose using different bimetallic and trimetallic combinations of nickel, aluminium, and tungsten metals supported on NaZSM-5 have been carried out. Different weight percentages (wt\%) of Al, Ni, and W were loaded onto the NaZSM-5 support via a wet impregnation method. The prepared catalysts were characterized using PXRD, FE-SEM, HR-TEM, BET, and XPS studies to investigate the presence of mesopores, the textural properties, the metal loading, and the active oxidation states. The catalytic activities of the xAl-yNi-zW/NaZSM-5 (where x, y, and z are the wt\% values of Al, Ni, and W, respectively) supported catalysts were studied during the one-pot conversion of cellulose into ethylene glycol at 220 degrees C and with a pressure of 70 bar H-2 (at the reaction temperature) in water (as a solvent). The 5\%Al-8\%Ni-25\%W/NaZSM-5 catalyst exhibited the highest cellulose conversion of 100\%, with an ethylene glycol yield as high as 89\% (C mol\%) under moderate reaction conditions being reported for the first time. Al3+ in the catalyst hydrolyzed cellulose, and W5+ species acted as acid centres that facilitated the retro-aldol condensation reaction and eventually led to an increased EG yield in the presence of Ni. The catalyst was moderately stable after four consecutive runs for 6 h at 220 degrees C and at a H-2 reaction pressure of 70 bar, though a 12 h reaction resulted in the highest EG yield. The high yields under moderate reaction conditions promise an energy-efficient and economically feasible process.}, issn = {1144-0546}, doi = {10.1039/d1nj03257g}, author = {Sreekantan, Sreejith and Kirali, Arun Arunima and Marimuthu, Banu} } @article {47389, title = {Enhanced photocatalytic properties of a chemically modified blue phosphorene}, journal = {RSC Advances }, volume = {11}, year = {2021}, month = {APR }, pages = {13348-13358}, type = {Article}, abstract = {

It is high time to placate the peak demand for an efficient, economic and green fuel in the form of H-2 through photocatalytic water splitting. Several low dimensional materials have been explored for their photocatalytic properties on account of their surface to volume ratio. The present study illustrates the excellent photocatalytic potential of a two-dimensional material, viz. a chemically tempered blue-phosphorene sheet, with single atom thickness and high carrier mobility. Metal-free element, sulphur, is explored as a dopant in a 32-atom blue-phosphorene sheet. The dopant is inserted at three locations viz. central, edge and central edge positions with varying concentrations from 3.125\% to 18.75\% (corresponding to n = 1 to 6 sulphur atoms within a 32-atom blue-phosphorene sheet, P32-nSn). The cohesive energy studies predict the higher stability of even number S doped sheets as compared to their odd counterparts. Photocatalytic activity is studied in terms of band gap and band alignment for different concentrations of the former. Studies reveal that edge doping demonstrates better water molecule activation independent of S atom concentration. The edge doped systems not only provide the chemical activity to activate water, but also show feasible HER overpotentials of 1.24-1.29 eV at neutral medium. Finally, this work opens up a driving lead of non-corrosive catalysts for water molecule splitting.

}, doi = {10.1039/d0ra10829d}, author = {Maibam, Ashakiran and Das, Sawan Kumar and Samal, Pragnya Paramita and Krishnamurty, Sailaja} } @article {47115, title = {Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {JAN }, pages = {227-237}, type = {Article}, abstract = {

Cocrystallization is a rational selection crystal engineering approach for the development of novel solid forms with enhanced physicochemical and mechanical properties. Nicorandil (NCR) is a niacinamide vitamin derivative used to treat angina pectoris. A binary solid form screen of NCR with homologous dicarboxylic acids afforded NCR-oxalic acid (NCR-OA, 1:1), NCR-fumaric acid (NCR-FA, 1:1), NCR-succinic acid (NCR-SA, 1:1), and NCR-suberic acid (NCR-SBA, 1:0.5). The binary solids were characterized by powder X-ray diffraction, IR and NMR spectroscopy, and DSC. NCR-FA and NCR-SBA were crystallized by slow evaporation from chloroform and toluene solvents, respectively. Single crystal X-ray diffraction confirmed that NCR-FA is a molecular salt, while NCR-SBA is a neutral cocrystal. NCR and the FA anion are connected via the robust carbovlate-pyridinium synthon, whereas in the NCR-SBA cocrystal, the components associate via the carboxylic acid- -pyridine synthon. The phase stability, solubility, dissolution rate, diffusion rate and tabletability studies have demonstrated that the binary solids exhibit improved physical and mechanical properties compared to the NCR drug. Specifically, the NCR-FA salt and NCR-SBA cocrystal have higher solubility, dissolution rate, and hardness at lower pressures, making the formulation suitable for tablet compression.

}, issn = {1466-8033}, doi = {10.1039/d0ce01316a}, author = {Mannava, M. K. Chaitanya and Gunnam, Anilkumar and Lodagekar, Anurag and Shastri, Nalini R. and Nangia, Ashwini K. and Solomon, K. Anand} } @article {47684, title = {Entacapone polymorphs: crystal structures, dissolution, permeability, and stability}, journal = {Crystal Growth \& Design}, volume = {21}, year = {2021}, month = {OCT }, pages = {5573-5585}, type = {Article}, abstract = {Entacapone (ETP) is a catechol-O-methyltransferase (COMT) drug used to treat Parkinson{\textquoteright}s disease. ETP is available in the marketplace under the brand name Comtan since 2010, and ETP form-I was first reported in a patent published in 2001. However, analysis of its Xray crystal structures and stability relationship of ETP polymorphs and their dissolution and permeability profile have not yet been reported. We crystallized two new conformational polymorphs of ETP from a water and acetone mixture and studied the structural origin of polymorphism and their phase transformations, stability, equilibrium solubility, dissolution, and permeability properties. The ETP molecule adopts different conformations in the polymorphic structures with slight changes in carbonyl and nitrile group orientations. Thermal analysis suggests that form-III and form-IV are enantiotropically related to form-I, which is the thermodynamically stable form at ambient conditions. In contrast, form-II is monotropically related to form-I. Equilibrium solubility, dissolution, and permeability studies show that form-II persists in the slurry medium and dissolves faster with a high flux rate compared to the stable form-I in phosphate buffer solution at 37 +/- 0.5 degrees C.}, issn = {1528-7483}, doi = {10.1021/acs.cgd.1c00381}, author = {Bommaka, Manish Kumar and Mannava, M. K. Chaitanya and Rai, Sunil K. and Suresh, Kuthuru and Nangia, Ashwini K.} } @article {47822, title = {Epigallocatechin-3-gallate modulates tau post-translational modifications and cytoskeletal network}, journal = {Oncotarget}, volume = {12}, year = {2021}, month = {MAY}, pages = {1083 - 1099}, type = {Article}, abstract = {BACKGROUND: Alzheimer{\textquoteright}s disease is a type of dementia denoted by progressive neuronal death due to the accumulation of proteinaceous aggregates of Tau. Post-translational modifications like hyperphosphorylation, truncation, glycation, etc. play a pivotal role in Tau pathogenesis. Glycation of Tau aids in paired helical filament formation and abates its microtubule-binding function. The chemical modulators of Tau PTMs, such as kinase inhibitors and antibody-based therapeutics, have been developed, but natural compounds, as modulators of Tau PTMs are not much explored. MATERIALS AND METHODS: We applied biophysical and biochemical techniques like fluorescence kinetics, oligomerization analysis and transmission electron microscopy to investigate the impact of EGCG on Tau glycation in vitro. The effect of glycation on cytoskeleton instability and its EGCG-mediated rescue were studied by immunofluorescence microscopy in neuroblastoma cells. RESULTS: EGCG inhibited methyl glyoxal (MG)-induced Tau glycation in vitro. EGCG potently inhibited MG-induced advanced glycation endproducts formation in neuroblastoma cells as well modulated the localization of AT100 phosphorylated Tau in the cells. In addition to preventing the glycation, EGCG enhanced actin-rich neuritic extensions and rescued actin and tubulin cytoskeleton severely disrupted by MG. EGCG maintained the integrity of the Microtubule Organizing Center (MTOC) stabilized microtubules by Microtubule-associated protein RP/EB family member 1 (EB1). CONCLUSIONS: We report EGCG, a green tea polyphenol, as a modulator of in vitro methylglyoxal-induced Tau glycation and its impact on reducing advanced glycation end products in neuroblastoma cells. We unravel unprecedented function of EGCG in remodeling neuronal cytoskeletal integrity.}, keywords = {Alzheimer{\textquoteright}s disease, tau glycation, Tau glycation inhibition, tau protein, Tau PTMs}, isbn = {1949-2553}, doi = {10.18632/oncotarget.27963}, author = {Sonawane, Shweta Kishor and Chinnathambi, Subashchandrabose} } @article {47454, title = {Evidence of an nN(amide) {\textrightarrow} π*Ar interaction in N-Alkyl-N,N'-diacylhydrazines}, journal = {Organic letters}, volume = {23}, year = {2021}, month = {MAY}, pages = {7003-7007}, type = {Article}, abstract = {

1,2-Dibenzoyl-1-tert-butylhydrazine (RH-5849) and related\ N-alkyl-N,N'-diacylhydrazines are environmentally benign insect growth regulators. Herein, we show that an unusual nN(amide) {\textrightarrow} π*Ar\ interaction mediated by a hydrazide amide nitrogen atom plays a crucial role in stabilizing their biologically active trans{\textendash}cis (t{\textendash}c) rotameric conformations. We provide NMR and IR spectroscopic evidence for the presence of these interactions, which is also supported by X-ray crystallographic and computational studies.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c00834}, author = {Deka, Jugal Kishore Rai and Sahariah, Biswajit and Sakpal, Sushil S. and Bar, Arun Kumar and Bagchi, Sayan and Sarma, Bani Kanta} } @article {47067, title = {Exceptional capacitance enhancement of a non-conducting COF through potential-driven chemical modulation by redox electrolyte}, journal = {Advanced Energy Materials}, volume = {11}, year = {2021}, month = {APR}, pages = {2003626}, type = {Article}, abstract = {

Capacitors are the most practical high-storage and rapid charge-release devices. The number of ions stored per unit area and their interaction strength with the electrode dictates capacitor-performance. Microporous materials provide a high storage surface and optimal interactions. Adsorbing electron-rich and easily polarizable molecules into microporous electrodes is expected to boost Faradaic pseudo-activity. If such electrode-electrolyte interactions can be made as a potential-driven reversible process, the resulting capacitors would be adaptable and device-friendly. A composite covalent organic framework (COF)-carbon electrode with redox-active KI is combined in an H2SO4 electrolyte for the first time. This composite electrode benefits from the redox-functionality of COF and electronic conductivity of carbon, leading to superior capacitative activity. Operando spectro-electrochemical measurements reveal the existence of multiple polyiodide species, although the I-3(-) is the predominantly electroactive species adsorbing on the microporous triazine-phenol COF electrode. A systematic fabrication of the flexible solid-state devices using the COF-redox-electrolyte reveals a high areal capacitance of 270 +/- 11 mF cm(-2) and gravimetric capacitance of 57 +/- 8 F g(-1). The inclusion of KI in H2SO4 (electrolyte) yields an approximately eight-fold enhancement in solid-state gravimetric specific capacitance. The imine-COF retains 89\% of its capacity even after 10 000 cycles.

}, keywords = {covalent organic frameworks, polyiodide, redox electrolytes, solid\&\#8208, state capacitors, Supercapacitors}, issn = {1614-6832}, doi = {10.1002/aenm.202003626, Early Access Date = FEB 2021}, author = {Kushwaha, Rinku and Haldar, Sattwick and Shekhar, Pragalbh and Krishnan, Akshara and Saha, Jayeeta and Hui, Pramiti and Vinod, Chathakudath Prabhakaran and Subramaniam, Chandramouli and Vaidhyanathan, Ramanathan} } @article {47371, title = {Extracellular HDAC6 ZnF UBP domain modulates the actin network and post-translational modifications of Tau}, journal = {Cell Communication and Signaling}, volume = {19}, year = {2021}, month = {MAY }, pages = {49}, type = {Article}, abstract = {

Background: Microtubule-associated protein Tau undergoes aggregation in Alzheimer{\textquoteleft}s disease (AD) and a group of other related diseases collectively known as Tauopathies. In AD, Tau forms aggregates, which are deposited intracellularly as neurofibrillary tangles. Histone deacetylase-6 (HDAC6) plays an important role in aggresome formation, where it recruits polyubiquitinated aggregates to the motor protein dynein. Methods: Here, we have studied the effects of HDAC6 ZnF UBP on Tau phosphorylation, ApoE localization, GSK-3 beta regulation and cytoskeletal organization in neuronal cells by immunocytochemical analysis. This analysis reveals that the cell exposure to the UBP-type zinc finger domain of HDAC6 (HDAC6 ZnF UBP) can modulate Tau phosphorylation and actin cytoskeleton organization. Results: HDAC6 ZnF UBP treatment to cells did not affect their viability and resulted in enhanced neurite extension and formation of structures similar to podosomes, lamellipodia and podonuts suggesting the role of this domain in actin re-organization. Also, HDAC6 ZnF UBP treatment caused increase in nuclear localization of ApoE and tubulin localization in microtubule organizing centre (MTOC). Therefore, our studies suggest the regulatory role of this domain in different aspects of neurodegenerative diseases. Upon HDAC6 ZnF UBP treatment, inactive phosphorylated form of GSK-3 beta increases without any change in total GSK-3 beta level. Conclusions: HDAC6 ZnF UBP was found to be involved in cytoskeletal re-organization by modulating actin dynamics and tubulin localization. Overall, our study suggests that ZnF domain of HDAC6 performs various regulatory functions apart from its classical function in aggresome formation in protein misfolding diseases.

}, keywords = {Actin, Cytoskeleton, HDAC6, Microtubule, neurodegeneration, Phosphorylation, Podonut, Podosomes, Tau, Tauopathies}, doi = {10.1186/s12964-021-00736-9}, author = {Balmik, Abhishek Ankur and Sonawane, Shweta Kishor and Chinnathambi, Subashchandrabose} } @article {47030, title = {Fabrication of high energy density supercapacitor device based on hollow iridium oxide nanofibers by single nozzle electrospinning}, journal = {Applied Surface Science}, volume = {546}, year = {2021}, month = {APR }, pages = {149102}, type = {Article}, abstract = {

Herein, we have synthesized iridium oxide (IrO2) nanofibers using electrospinning technique and optimization of annealing temperature is undertaken in order to obtain high quality IrO2 nanofibers. The annealing temperature is varied as 200, 300, 400 and 500 degrees C. The synthesized material has hollow nanofibrous morphology with average diameter similar to 45 nm. The formed nanofibers are amorphous in nature. The X-ray Photoelectron Spectroscopy (XPS) result revealed that synthesized iridium is in +4 oxidation state. The electrochemical performance of IrO2 electrodes showed 2 V potential window in three electrode system using 1 M Sodium sulphate (Na2SO4) aqueous electrolyte. The maximum specific capacitance is obtained for sample annealed at 400 degrees C (705F/g at 1 mA/cm(2)) which is due to the well-developed morphology with complete removal of polymer content. Moreover, a novel solid state symmetric IrO2/IrO2 supercapacitor with a high operating voltage of 2 V is built. The symmetric supercapacitor exhibits an energy density of 59 Wh/kg at a power density of 714 W/kg and an excellent cycling stability. These results demonstrate the potentialities of using IrO2 for symmetric supercapacitor for building high energy and power density devices.

}, keywords = {Aqueous electrolyte, Hollow iridium oxide nanofibers, Symmetric supercapacitor}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.149102}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Patil, D. S. and Pawar, S. A. and Shin, J. C. and Patil, P. S.} } @article {47052, title = {Facile synthesis of CNT interconnected PVP-ZIF-8 derived hierarchically porous Zn/N co-doped carbon frameworks for oxygen reduction dagger}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {MAR}, pages = {6248-6258}, type = {Article}, abstract = {

In this work, a strategy has been adopted to construct an architecture through the coordination of polyvinylpyrrolidone (PVP) and a monodisperse zeolitic imidazolate framework (ZIF-8), which was entwined by carbon nanotubes (CNTs) firstly, followed by a pyrolysis process to obtain the hybrid catalyst. The meticulous design of the hybrid material using CNTs to interconnect the PVP assisted ZIF-8 derived porous carbon frameworks together produces a hierarchical pore structure and dual-heteroatom (Zn/N) doping (Zn-N/PC@CNT). Without further acid treatment, the hybrid material prepared after pyrolysis at 900 degrees C (PVP-ZIF-8@CNT-900) has been demonstrated as an efficient non-precious metal catalyst for the oxygen reduction reaction (ORR) with its superior stability compared to the commercial 20 wt\% Pt/C catalyst in alkaline media. The catalyst shows better performance towards the ORR, with its more positive onset and half-wave potentials (E-onset = 0.960 V vs. RHE and E-1/2 = 0.795 V vs. RHE) than the counterpart system which is free of both CNT and PVP. The high performance of the hybrid catalyst can be ascribed to the co-existence of dual-active sites with hierarchical pore structures originating from the synergistic effects between Zn/N co-doped porous carbon and CNTs. We further demonstrated the single-cell performance by using the homemade system as the cathode catalyst for the Alkaline Exchange Membrane Fuel Cell (AEMFC) system, which showed a maximum power density of 45 mW cm(-2) compared to 60 mW cm(-2) obtained from the 40 wt\% Pt/C catalyst.

}, issn = {2040-3364}, doi = {10.1039/d0nr09156a, Early Access Date = FEB 2021}, author = {Singla, Gourav and Bhange, Siddheshwar N. and Mahajan, Mani and Kurungot, Sreekumar} } @article {47620, title = {Facile synthesis of indolizinoindolone, indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and isoindolopyrazinoindolone heterocycles from indole and imide derivatives}, journal = {Organic \& Biomolecular Chemistry}, volume = {19}, year = {2021}, month = {JUL 21}, pages = {6160-6169}, type = {Article}, abstract = {Chemo-, regio- and diastereoselective coupling reactions of indole with imide derivatives leading to unique heterocyclic systems are demonstrated. Acid-induced 3-position coupling reactions of indole with cyclic imide derived lactamols followed by acid promoted 2-position cyclizations with the corresponding aldehydes are described to obtain the indolizinoindolones and benzoindolizinoindolones. Base induced 2-position coupling reactions of N-tosylindole with N-(2-iodoethyl)imides and the subsequent cyclizations provide indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and indolyloxazoloisoindolone. Reductive cleavage of indolyloxazoloisoindolone to the corresponding alcohol followed by mesylation and base promoted N-cyclization affords the in situ air-oxidized pentacyclic product hydroxyisoindolopyrazinoindolone. A regioisomeric structural revision of the natural product from 1,2,5,6,7,11c-hexahydro-3H-indolizino[7,8-b]indol-3-one to 1,2,5,6,11,11b-hexahydro-3H-indolizino(8,7-b)indol-3-one is also reported in the present studies focussed on the methodologies for heterocyclic synthesis.}, issn = {1477-0520}, doi = {10.1039/d1ob00754h}, author = {Shelar, Santosh V. and Argade, Narshinha P.} } @article {47028, title = {Facile transfer of excited electrons in Au/SnS2 nanosheets for efficient solar-driven selective organic transformations}, journal = {Applied Catalysis B-Environmental}, volume = {286}, year = {2021}, month = {JUN }, pages = {119927}, type = {Article}, abstract = {

Solar driven aerial oxidation processes have gained importance in organic transformations leading to the development of many nanocrystalline photocatalysts. Although such nanomaterials have many potential advantages, they often underperform due to poor visible light absorption and rapid recombination of excitons. Incorporation of plasmonic nanoparticles (NPs) on the catalyst surfaces can extend their response to visible light and improve photocatalytic efficiency by the {\textquoteleft}hot-electron{\textquoteright} injection mechanism. Nanostructures of SnS2 too absorb a part of the visible light to induce many photocatalytic reactions, though their ability to perform the selective and controlled organic transformations has not yet been observed. Herein, we demonstrate the first example of such transformation with the oxidative coupling of various benzylamine (BA) derivatives to imines under ambient conditions using SnS2 nanosheets (NSs). The reaction rate improves manifold and shows similar to 98 \% conversion (\>99 \% selectivity) in 2 h under direct sunlight and open-air when the NSs were decorated with 1.5 wt\% Au NPs on (Au/SnS2), making it one of the best catalysts for this reaction. We found that the large enhancement in activity upon Au loading is accompanied by a noticeable change in photo-induced charge accumulation behaviour in Au/SnS2 from the usual {\textquoteleft}{\textquoteleft}spike and overshoot{\textquoteright}{\textquoteright} one and contributed by facile transfer of excited electrons across the Au-SnS2 heterojunction in which Au NPs act as both sources and sinks for the photo-excited electrons. Finally, a detailed mechanism of the oxidation reaction has been proposed.

}, keywords = {Benzylamine oxidation, Hot-electron injection, Plasmonic nanoparticle, SnS2 nanosheet, Solar energy harvesting}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2021.119927}, author = {Mondal, Sanjit and Sahoo, Lipipuspa and Vinod, C. P. and Gautam, Ujjal K.} } @article {47747, title = { Flexible energy harvester from an organic ferroelectric ammonium salt}, journal = {Chemistry-An Asian Journal}, volume = {16}, year = {2021}, month = {DEC }, pages = {4122-4129}, type = {Article}, abstract = {Organic ferroelectrics due to their low cost, easy preparation, light weight, high flexibility and phase stability are gaining tremendous attention in the field of portable electronics. In this work, we report the synthesis, structure and ferroelectric behavior of a two-component ammonium salt 2, containing a bulky [Bn(4-BrBn)NMe2](+) (Bn=benzyl and 4-BrBn=4-bromobenzyl) cation and tetrahedral (BF4)(-) anion. The structural analysis revealed the presence of rich non-classical C-H...F and C-H...Br interactions in this molecule that were quantified by Hirshfeld surface analysis. The polarization (P) vs. electric field (E) hysteresis loop measurements on 2 gave a remnant polarization (P-r) of 14.4 mu C cm(-2) at room temperature. Flexible polymer composites with various (5, 10, 15 and 20) weight percentages (wt\%) of 2 in thermoplastic polyurethane (TPU) were prepared and tested for mechanical energy harvesting applications. A notable peak-to-peak output voltage of 20 V, maximum current density of 1.1 mu A cm(-2) and power density of 21.1 mu W cm(-2) were recorded for the 15 wt\% 2-TPU composite device. Furthermore, the voltage output generated from this device was utilized to rapidly charge a 100 mu F capacitor, with stored energies and measured charges of 156 mu J and 121.6 mu C, respectively.}, keywords = {Dielectric, energy harvesting, ferroelectricity, organic composites, piezoelectric}, issn = {1861-4728}, doi = {10.1002/asia.202101128}, author = {Gupta, Rishabh and Sahoo, Supriya and Deswal, Swati and Kothavade, Premkumar and Dixit, Prashant and Zareba, Jan K. and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {47441, title = {Flexible metallized carbon nanofibers decorated with two-dimensional NiGa2S4 nanosheets as supercapacitor electrodes}, journal = {Chemical Engineering Journal }, volume = {420}, year = {2021}, month = {SEP }, pages = {130497}, type = {Article}, abstract = {

Herein, high-power flexible supercapacitor electrodes were fabricated by decorating Ni-electroplated carbon nanofibers (Ni@CNF) with two-dimensional NiGa2S4\ nanosheets. The electrical conductivity of carbon nanofibers was enhanced by the addition of nickel, and the energy storage capability was enhanced by decoration with NiGa2S4. The impact of metal (Ni/Ga) ratio on the overall electrochemical performance of the supercapacitor was studied by varying the Ga concentration. The NiGa2S4\ nanosheets promoted diffusion of the electrolyte into the electrode, thereby improving the electrochemical activity. The nanosheets also intensified the charge transfer rate within the composite electrode, which contributed to the overall improvement in the electrochemical performance. The optimal Ga concentration was the concentration at which the specific capacitance was the highest at 488 F{\textperiodcentered}g-1\ with a potential window of 1.1\ V and current rate of 0.5 A{\textperiodcentered}g-1. The long-term stability test revealed that the capacitance retention of the electrode with this optimal Ni/Ga ratio was 109\% after 20,000 cycles. This flexible supercapacitor electrode was subjected to 2000 bending cycles, and the corresponding cyclic voltammetry performance was assessed. In combination, the outstanding electrochemical performance and durable mechanical properties render the NiGa2S4/Ni@CNF electrode highly suitable for flexible energy storage applications.

}, doi = {10.1016/j.cej.2021.130497}, author = {Kim, Yongil and Samuel, Edmund and Joshi, Bhavana and Park, Chanwoo and Lee, Hae-Seok and Yoon, Sam S.} } @article {47399, title = {gamma-Al2O3/triflic acid as cooperative catalysts for the tandem Michael addition/carbocyclization: an easy access to 2-substituted pyrrolo[2,1-a]isoquinolines and 3-substituted pyrrolidine-2,5-diones}, journal = {Journal of Heterocyclic Chemistry}, volume = {58}, year = {2021}, month = {JUL}, pages = {1415-1428}, type = {Article}, abstract = {

A tandem Michael addition/carbocyclization of 3,4-dimethoxyphenethyl maleimide with carbon and sulfur nucleophiles is accomplished via a relay catalysis using gamma-Al2O3/TfOH binary system. The X-ray Photoelectron Spectroscopy (XPS) analysis of binary system indicates the presence of AlF3, AlO(OH) species(.) This approach provides an easy access to 2-aryl or 2-thio aryl pyrrolo[2,1-a]isoquinolines in good yields in a tandem fashion. With suitable ratio of gamma-Al2O3/TfOH binary system, the Michael addition of N/C/S nucleophiles to N-benzyl maleimide is also achieved. A key to the success of these reactions would be the generation of AlF3, AlO(OH) species from gamma-Al2O3 and TfOH, which might have delineated the disadvantageous background reactions usually displayed by a strong Bronsted acid such as TfOH.

}, keywords = {1-a]isoquinolines, 3-substituted pyrrolidine-2, 5-diones, carbocyclization, gamma-Al2O3/TfOH binary system, Michael addition, pyrrolo[2}, issn = {0022-152X}, doi = {10.1002/jhet.4266, Early Access Date = APR 2021}, author = {Rao, Ramana Sreenivasa and Sahani, Anita and Ali, Sheikh Haider and Pradhan, Sumanta and Ramanathan, Chinnasamy Ramaraj} } @article {46598, title = {Glycosyltransferases: the multifaceted enzymatic regulator in insects}, journal = {Insect Molecular Biology}, volume = {30}, year = {2021}, month = {APR}, type = {Article}, abstract = {

Glycosyltransferases (GTs) catalyse the reaction of glyco-conjugation of various biomolecules by transferring the saccharide moieties from an activated nucleotide sugar to nucleophilic glycosyl acceptor. In insects, GTs show diverse temporal and site-specific expression patterns and thus play significant roles in forming the complex biomolecular structures that are necessary for insect survival, growth and development. Several insects exhibit GT-mediated detoxification as a key defence strategy against plant allelochemicals and xenobiotic compounds, as well as a mechanism for pesticide cross-resistance. Also, these enzymes act as crucial effectors and modulators in various developmental processes of insects such as eye development, UV shielding, cuticle formation, epithelial development and other specialized functions. Furthermore, many of the known insect GTs have been shown to play a fundamental role in other physiological processes like body pigmentation, cuticular tanning, chemosensation and stress response. This review provides a detailed overview of the multifaceted functionality of insect GTs and summarizes numerous case studies associated with it.

}, keywords = {Allelochemicals, Detoxification, Development, glycosyltransferases (GTs), insects}, issn = {0962-1075}, doi = {10.1111/imb.12686}, author = {Nagare, M. and Ayachit, M. and Agnihotri, A. and Schwab, W. and Joshi, R.} } @article {47366, title = {Graphene-based frustrated Lewis pairs as bifunctional catalysts for CO2 reduction via the dissociative chemisorption of molecular H-2: a periodic density functional perspective}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {JUN }, pages = {9959-9966}, type = {Article}, abstract = {

Nanocarbon-based frustrated Lewis pair (FLP) bifunctional catalysts, on account of their unquenched electron transfer property, are becoming increasingly attractive as catalysts for the CO2 reduction reaction via the dissociative chemisorption of H-2. In the present study, we propose a nanocarbon-based FLP catalyst. The pair comprises nitrogen doped/phosphorus doped graphene as Lewis bases and M(C6F5)(3) (M = B, Al, Ga, and In) as Lewis acids. The computational investigation reveals that the carbon atoms adjacent to the doped N and P atoms are the active sites towards the dissociative chemisorption of hydrogen molecule. The analyses of the Bader charges and difference charge densities validate the dissociative chemisorption of H-2 molecule and the fact that a significant electron redistribution promotes the polarization of the hydrogen molecule. Density of states confirms the hybridization between the p-states of the nitrogen/phosphorus atom and the s-state of hydrogen atom in all FLPs. The dissociative chemisorption of hydrogen is noted in all FLP complexes, thereby facilitating a low barrier reaction path for CO2 reduction. Between P-doped and N-doped FLPs, N-doped FLP catalysts prove to be a more promising counterpart with considerably low activation barriers, ranging between 0.01 and 0.11 eV, towards CO2 reduction. Thus, the present study demonstrates the great potential of doped carbon-based FLPs as novel nanostructure catalysts for CO2 reduction via the direct utilization of molecular hydrogen.

}, issn = {1144-0546}, doi = {10.1039/d1nj00970b, Early Access Date = MAY 2021}, author = {Senthamaraikannan, Thillai Govindaraja and Krishnamurty, Sailaja and Kaliaperumal, Selvaraj} } @article {47440, title = {Green route for carbonylation of amines by CO2 using Sn-Ni-O bifunctional catalyst and theoretical study for finding best suited active sites}, journal = {Chemical Engineering Journal }, volume = {419}, year = {2021}, month = {SEP}, pages = {129439}, type = {Article}, abstract = {

Reaction between n-alkylamine and CO2\ has gained interest due to the demand for the dialkylurea for various applications. For the first time, the tool\ Mathematica\ was used to analyze the experimental data with an idea to derive an equation which determines the best suited active sites for any given input set of dependent parameters. The equation can further be used to predict the product yield with the known values of active sites for a reaction. Among several Sn containing mixed oxides, Sn-Ni oxide (Sn-Ni-O) was found to be the better performing catalyst. The studies indicate that the formation of new defect sites when NiO and SnO2\ are in the mixed state and possibly a solid solution enhances the catalytic efficiency. There are two main reasons for improved catalytic performance; one, mixing of SnO2\ into NiO which reduces the number of holes (h+) localized on lattice oxygen (O2-+ h+{\textrightarrow} O{\textbullet}-) and two, smaller SnO2\ particles are dispersed on the bigger particle NiO which alters the acidic and basic active sites in the catalyst. FT-IR adsorption study with amine and CO2\ helped in deriving a plausible mechanism for this reaction. Under optimized reaction condition, Sn1.1-Ni-O-600 gave 77.3\% of n-butylamine conversion and 75.7\% of yield for 1,3-dibutylurea. The versatility of the catalyst was tested for carbonylation of different aliphatic and aromatic amines, diamine and hydroxy amine with CO2.

}, keywords = {amines, CO2, Mixed oxide catalyst and bi-functional catalyst, Substituted urea}, issn = {1385-8947}, doi = {10.1016/j.cej.2021.129439}, author = {Kulal, Nagendra and Vetrivel, Rajappan and Gopinath, Chinnakonda S. and Ravindran, Rahul K. and Rao, Vinod N. and Shetty, Manjunath and Shrikanth, R. and Rangappa, Dinesh and Shanbhag, Ganapati V.} } @article {47413, title = {Green synthesis of xanthene and acridine-based heterocycles of pharmaceutical importance: a review}, journal = {Environmental Chemistry Letters}, year = {2021}, month = {MAR}, type = {Review; Early Access}, abstract = {

Xanthene and acridine-based heterocyclic compounds find applications in cancer chemotherapy, biological staining and laser dyes and are known for their antibacterial and anti-tumor properties. Here we review green catalytic routes for the synthesis of 1,8-dioxo-octahydroxanthenes, 1,8-dioxo-decahydroacridines and related heterocyclic molecules with catalysts such as metal oxides, mixed metal oxides, resins, supported organocatalysts, heteropolyacids, carbon-based materials, zeolites, sulfides and ionic liquids. We compare protocols for their catalytic activities, and proposed mechanisms are discussed.

}, keywords = {green chemistry, heterocycles, heterogeneous catalysis, Metal oxides, nanocatalysis}, issn = {1610-3653}, doi = {10.1007/s10311-021-01223-w, Early Access Date = MAR 2021}, author = {Burange, Anand S. and Gadam, Komal G. and Tugaonkar, Prajyot S. and Thakur, Seema D. and Soni, Ravish K. and Khan, Rubej R. and Tai, Mubashira S. and Gopinath, Chinnakonda S.} } @article {47630, title = {Heterogeneous C-H functionalization in water via porous covalent organic framework nanofilms: a case of catalytic sphere transmutation}, journal = {Journal of the American Chemical Society}, volume = {143}, year = {2021}, month = {JUN }, pages = {8426-8436}, type = {Article}, abstract = {Heterogeneous catalysis in water has not been explored beyond certain advantages such as recyclability and recovery of the catalysts from the reaction medium. Moreover, poor yield, extremely low selectivity, and active catalytic site deactivation further underrate the heterogeneous catalysis in water. Considering these facts, we have designed and synthesized solution-dispersible porous covalent organic framework (COF) nanospheres. We have used their distinctive morphology and dispersibility to functionalize unactivated C-H bonds of alkanes heterogeneously with high catalytic yield (42-99\%) and enhanced regioand stereoselectivity (3 degrees:2 degrees = 105:1 for adamantane). Further, the fabrication of catalyst-immobilized COF nanofilms via covalent self-assembly of catalytic COF nanospheres for the first time has become the key toward converting the catalytically inactive homogeneous catalysts into active and effective heterogeneous catalysts operating in water. This unique covalent self-assembly occurs through the protrusion of the fibers at the interface of two nanospheres, transmuting the catalytic spheres into films without any leaching of catalyst molecules. The catalyst-immobilized porous COF nanofilms{\textquoteright} chemical functionality and hydrophobic environment stabilize the high-valent transient active oxoiron(V) intermediate in water and restricts the active catalytic site{\textquoteright}s deactivation. These COF nanofilms functionalize the unactivated C-H bonds in water with a high catalytic yield (45-99\%) and with a high degree of selectivity (cis:trans = 155:1; 3 degrees:2 degrees = 257:1, for cis-1,2-dimethylcyclohexane). To establish this approach{\textquoteright}s {\textquoteleft}{\textquoteleft}practical implementation{\textquoteright}{\textquoteright}, we conducted the catalysis inflow (TON = 424 +/- 5) using catalyst-immobilized COF nanofilms fabricated on a macroporous polymeric support.}, issn = {0002-7863}, doi = {10.1021/jacs.1c02425}, author = {Sasmal, Himadri Sekhar and Bag, Saikat and Chandra, Bittu and Majumder, Poulami and Kuiry, Himangshu and Karak, Suvendu and Sen Gupta, Sayam and Banerjee, Rahul} } @article {47716, title = {Hierarchical ITO nanofibers coated Mn3O(4) nanoplates core-shell nanocomposites for high performance all-solid-state symmetric supercapacitor device}, journal = {Ceramics International}, volume = {47}, year = {2021}, month = {NOV }, pages = {29771-29785}, type = {Article}, abstract = {We have made a first attempt to build a novel Tin doped indium oxide@Manganese oxide (ITO@Mn3O4) nanocomposite electrode to overcome the detriments of Mn3O4 such as low conductivity and small potential window. Herein, we have synthesized the ITO@Mn3O4 nanocomposite by growing Mn3O4 nanoplates over ITO nanofibers synthesized by electrospinning technique. Benefitted from, the high conductivity and negative operating potential window of ITO exceptionally increased in the electrochemical performance of ITO@Mn3O4 was observed. The specific capacitance of optimized ITO@Mn3O4 nanocomposite reached up to 823 F/g at 1 mA/ cm2 in a wide potential window of 2 V using Na2SO4 electrolyte. To determine the practical feasibility an ITO@Mn3O4//ITO@Mn3O4 all-solid-state symmetric device was developed, which operated very well in a 2.2 V voltage window. It was found to deliver a maximum energy density of 88 Wh/kg and a power density of 550 W/ kg. This novel composite inferred the significance of using simple design to build a high-performance device.}, keywords = {electrospinning, ITO@Mn3O4 nanocomposite, PVA-LiClO4, SILAR, Solid-state symmetric device}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2021.07.149}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Pawar, K. K. and Patil, D. S. and Shin, J. C. and Patil, P. S.} } @article {47131, title = {High efficiency lithium storage in 3D composite foam of Co3O4 nanoparticles integrated carbon nanohorns}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {263}, year = {2021}, month = {JAN}, pages = {114839}, type = {Article}, abstract = {

A well-designed 3 dimensional (3D) nanocomposite foam of Co3O4 nanoparticles and functionalized carbon nano horns (CNH) is prepared by feasible wet chemistry followed by lyophilization. This 3D nanocomposite foam is evaluated electrochemically as anode material for lithium-ion battery (LIB). 3D hierarchical mesoporous hybrid of functionalized carbon nano horn-Co3O4 (CCO) shows excellent lithium storage properties with long cycle life due to high surface area, good conductivity, 3D interconnected mesoporous structure, mechanical and chemical stability and shortened diffusion path length for Li+ ions during lithiation-delithiation. The Co3O4 nanoparticles incorporated into interconnected CNH foam effectively increases the number of active sites of CCO nanocomposite and consequently increase in the reversible specific capacity and coulombic efficiency. Different compositions of CNH foam with Co3O4 nanoparticles are prepared, among which the CCO 1:1 foam displays reversible capacity of 797 mAhg1 at current density of 0.1 Ag-1 along with excellent rate performance. High specific capacity of around 702 mAhg(-1) is obtained even at the current density of 5 Ag-1.

}, keywords = {3D CCO foam, carbon nanohorns, Excellent rate capability, Li ion diffusion coefficient, Long Cycle life}, issn = {0921-5107}, doi = {10.1016/j.mseb.2020.114839}, author = {Dwivedi, Pravin K. and Parte, Golu and Thripuranthaka, M. and Shelke, Manjusha V.} } @article {47353, title = {Highly compressible ceramic/polymer aerogel-based piezoelectric nanogenerators with enhanced mechanical energy harvesting property}, journal = {Ceramics International}, volume = {47}, year = {2021}, month = {JUN }, pages = {15750-15758}, type = {Article}, abstract = {

Ceramic piezoelectric materials have orders of magnitude higher piezoelectric coefficients compared to polymers. However, their brittleness precludes imposition of large strains in mechanical energy harvesting applications. We report here that ice templating affords low bulk modulus lead-free aerogel piezoelectric nanogenerators (PENG) with unprecedented combination of flexibility and high piezoelectric response (voltage and power density). A modified ice templating protocol was used to fabricate piezoelectric nanocomposites of surface modified BaTiO3 (BTO) nanoparticles in crosslinked polyethylene imine. This protocol allowed incorporating a significantly high fraction of BTO particles (up to 83 wt \%) in the aerogel, while retaining remarkably high compressibility and elastic recovery up to 80\% strain. The output voltage, at an applied compressive force of 20 N (100 kPa), increased with BTO loading and a maximum output voltage of 11.6 V and power density of 7.22 ?W/cm2 (49.79 ?W/cm3) was obtained for PENG aerogels containing 83 wt\% BTO, which is orders of magnitude higher than previously reported values for foam-based piezoelectric energy harvesters. The BTO/PEI PENGs also showed cyclic stability over 900 cycles of deformation. PENGs with higher porosity showed better elastic recovery and piezoelectric properties than lower porosity and higher BTO content aerogels. To the best of our knowledge, this is the first report to demonstrate the piezoelectric properties of high ceramic content aerogels having very high compressibility and elastic recovery.

}, keywords = {Ceramic polymer aerogels, energy harvesting, ice templating, piezoelectric}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2021.02.147}, author = {Ram, Farsa and Suresh, Karthika and Torris, Arun and Kumaraswamy, Guruswamy and Shanmuganathan, Kadhiravan} } @article {47677, title = {Highly efficient method of utilizing waste silica hazards}, journal = {Process Safety and Environmental Protection}, volume = {153}, year = {2021}, month = {SEP}, pages = {239-248}, type = {Article}, abstract = {Silica gels are the significant commodity solid waste produced by organic laboratories and pharmaceutic industries. Although use of silica gels is continuously growing, the proper methods of re-utilizing silica waste are yet limited. Hence, it demands a non-traditional approach to transform these silica waste into some other useful products apart from using them as a well-known road construction materials. Hereby, we report the fabrication and applications of monolithic polymer-silica composites by ice-templating technique from laboratory waste silica-gels, using green approach. To the best of our knowledge, the fabrication of organic-inorganic hybrid sponges from the particles of hundreds of microns is not reported to date. Scaffolds S-60, S-120, S-180, and S-300, were prepared from laboratory discarded silica gels. The morphological, physicochemical, flame-retardant, and liquid absorbent properties of these self-standing scaffolds were analyzed. Results showed that the incorporation of silica particles in the scaffolds turned them into a flame-retardant sponge. These properties make the sponges ideal for making non-flammable cushions, applicable in automobiles, aircrafts, chemical laboratories, hospitals, and other areas of applications. Due to the large porous structures, these scaffolds possess excellent absorption properties and may absorb almost every kind of liquid ranging from oils to acids. Therefore, these scaffolds are also a remarkable absorber for oils and hazardous liquids spillage, such as acids, and can be used as foam for chemical packing applications. (C) 2021 Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.}, keywords = {Acid absorber, Flame-retardant, Ice-templating, Laboratory silica waste, scaffolds}, issn = {0957-5820}, doi = {10.1016/j.psep.2021.07.007}, author = {Singh, Anup Kumar and Sudhakar, Vediappan} } @article {47665, title = {High-voltage non-aqueous hybrid supercapacitor based on the N2200 polymer supported over multiwalled carbon nanotubes}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {JUL}, pages = {12314-12326}, type = {Article}, abstract = {P(NDI2OD-T2), also known as Polyera ActivInk N2200, is a widely accepted non-fullerene acceptor polymer that is used prominently in the energy harvesting application due to its ease of synthesis, high electron mobility, and other desirable semiconducting properties. With its recent foray into energy storage applications, there is tremendous potential for developing composites of N2200 with carbon nanotubes (CNTs) to improve its electrical properties and extend its applicability. Here we report a facile synthesis of an N2200 composite with multiwalled carbon nanotubes (MWCNTs) following an in situ approach to include MWCNTs into the polymer matrix, improving its electrochemical performance in an organic electrolyte (1 M LiClO4/propylene carbonate). The composite material with an optimum MWCNT content exhibits prominent redox behavior delivering a specific capacity of 80 mA h g((polymer))(-1) in a standard three-electrode cell. Moreover, the N2200/MWCNT composite material showing a battery-type electrochemical signature could perform as an efficient negative electrode in a high-voltage (2.4 V) hybrid supercapacitor device comprising capacitive activated carbon as the positive electrode.}, issn = {2040-3364}, doi = {10.1039/d1nr01422f}, author = {Wavhal, Bhaiyyasaheb Anurath and Ghosh, Meena and Sharma, Sandeep and Kurungot, Sreekumar and Asha, S. K.} } @article {47689, title = {Hydrogenolysis of benzofuran using aqueous ethanol solution over graphite-supported platinum catalyst}, journal = {Journal of the Indian Chemical Society}, volume = {98}, year = {2021}, month = {FEB}, pages = {100021}, type = {Article}, abstract = {Graphite-supported platinum catalysts (Pt/G) were highly active for the hydrogenolysis of benzofuran to o-ethylphenol in aqueous ethanol solution at 523 K without using any external hydrogen gas. The hydrogenolysis activities and selectivity to o-ethylphenol in ethanol solution over Pt/G were higher than those with a conventional method using externally supplied hydrogen gas. Both water and ethanol were indispensable for the hydrogenolysis in aqueous ethanol solution at 523 K.}, keywords = {Biomass conversion, Graphite support, Hydrogenolysis, platinum catalysts}, issn = {0019-4522}, doi = {10.1016/j.jics.2021.100021}, author = {Hiraishi, Yushi and Minakawa, Naohiro and Taniguchi, Kenkichi and Nagasawa, Yoshiyuki and Nanao, Hidetaka and Rode, V, Chandrashekhar and Sato, Osamu and Yamaguchi, Aritomo and Shirai, Masayuki} } @article {47455, title = {Hydrophilic 3D interconnected network of bacterial nanocellulose/black titania photothermal foams as an efficient interfacial solar evaporator}, journal = {ACS Applied Bio Materials}, volume = {4}, year = {2021}, month = {APR}, pages = {4373{\textendash}4383}, type = {Article}, abstract = {

The design and development of scalable, efficient photothermal evaporator systems that reduce microplastic pollution are highly desirable. Herein, a sustainable bacterial nanocellulose (BNC)-based self-floating bilayer photothermal foam (PTFb) is designed that eases the effective confinement of solar light for efficient freshwater production via interfacial heating. The sandwich nanoarchitectured porous bilayer solar evaporator consists of a top solar-harvesting blackbody layer composed of broad-spectrum active black titania (BT) nanoparticles embedded in the BNC matrix and a thick bottom layer of pristine BNC for agile thermal management, the efficient wicking of bulk water, and staying afloat. A decisive advantage of the BNC network is that it enables the fabrication of a lightweight photothermal foam with reduced thermal conductivity and high wet strength. Additionally, the hydrophilic three-dimensional (3D) interconnected porous network of BNC contributes to the fast evaporation of water under ambient solar conditions with reduced vaporization enthalpy by virtue of intermediated water generated via a BNC{\textendash}water interaction. The fabricated PTFb\ is found to yield a water evaporation efficiency of 84.3\% (under 1054 W m{\textendash}2) with 4 wt \% BT loading. Furthermore, scalable PTFb\ realized a water production rate of 1.26 L m{\textendash}2\ h{\textendash}1\ under real-time conditions. The developed eco-friendly BNC-supported BT foams could be used in applications such as solar desalination, contaminated water purification, extraction of water from moisture, etc., and thus could address one of the major present-day global concerns of drinking water scarcity.

}, doi = {10.1021/acsabm.1c00143}, author = {Nabeela, Kallayi and Thorat, Meghana and Sumina, N. B. and Ramachandran, Animesh M. and Thomas, Reny Thankam and Preethikumar, Gopika and Mohamed, A. Peer and Asok, Adersh and Dastager, Syed Gulam and Pillai, Saju} } @article {47397, title = {Hypervalent iodine(iii) induced oxidative olefination of benzylamines using Wittig reagents}, journal = {New Journal of Chemistry}, volume = {45}, year = {2021}, month = {MAY}, pages = {8806-8813}, type = {Article}, abstract = {

We have developed hypervalent iodine(iii) induced oxidative olefination of primary and secondary benzylamines using 2C-Wittig reagents, which provides easy access to alpha,beta-unsaturated esters. Mild reaction conditions, good to excellent yields with high (E) selectivity, and a broad substrate scope are the key features of this reaction. We have successfully carried out the gram-scale synthesis of alpha,beta-unsaturated esters.

}, issn = {1144-0546}, doi = {10.1039/d1nj01170g, Early Access Date = APR 2021}, author = {Ramavath, Vijayalakshmi and Rupanawar, Bapurao D. and More, Satish G. and Bansode, Ajay H. and Suryavanshi, Gurunath} } @article {47437, title = {Ice-colloidal templated carbon host for highly efficient, dendrite free Li metal anode}, journal = {Carbon}, volume = {179}, year = {2021}, month = {JUL}, pages = {256-265}, type = {Article}, abstract = {

With its high theoretical specific capacity value, lithium metal itself would be an ideal anode material for rechargeable Li-ion batteries (LIBs). However, practical application of lithium metal is obstructed due to lithium dendrite growth during cycling leads to unstable SEI formation, volume fluctuation and safety hazard. Herein, we have developed a novel high surface area carbon network with both meso (\~{}20 nm) and micron (\~{}1{\textendash}2 μm) size porosity, via ice-colloidal templating, as a scaffold for stable lithium metal anode mitigating lithium dendrite formation. The 3D porous nitrogen doped carbon (3D PNC) network is capable of lithium deposition equivalent to 10 mAhcm-2 at 2 mAcm-2 current density with 99.96\% coulombic efficiency for 100 cycles. Moreover, 3D PNC when subjected to 3000 h of continuous plating-stripping measurements (\~{}700 cycles) depicts the coulombic efficiency of 99.84\% with no observable dendrite growth at the current density of 2 mAcm-2 and lithium intake capacity of 5 mAhcm-2. A full cell of lithium plated 3D PNC anode with LiFePO4 shows an excellently stable performance up to 50 cycles at an input current density of 50 mAg-1, with a coulombic efficiency retention of 99.73\%.

}, doi = {10.1016/j.carbon.2021.04.021}, author = {Patrike, Apurva and Kaniyamparambil, Karthika and Wahid, Malik and Chaturvedi, Vikash and Shelke, Manjusha} } @article {47806, title = {Identification of a novel series of potent organosilicon mosquito repellents}, journal = {ACS Omega}, volume = {6}, year = {2021}, month = {NOV}, pages = {31236-31243}, type = {Article}, abstract = {Mosquito control by personal protection is one of the most efficient ways of curtailing deadly diseases such as malaria and dengue with the potential to save millions of lives per year. DEET (N,N-diethyl-3-methyl benzamide) is currently considered as the gold standard for mosquito repellents, being used for the past several decades. Control by DEET, however, is being threatened by emerging resistance among mosquitoes. To address this concern and also to improve protection times, we synthesized a novel series of 25 silicon-containing acyl piperidines using acid{\textendash}amine coupling protocol and tested their activity against Aedes aegypti in mosquito-repellent assays. Several compounds from this series appear to possess good mosquito-repellent properties. Most notably, at 0.5 mg/cm2 concentrations, the mean protection time for NDS100100 was 756 min, which was higher than that of DEET (616 min). The details of design, synthesis, and biological evaluation are discussed herein.}, doi = {10.1021/acsomega.1c04961}, author = {Kulkarni, Akshay S. and Ramesh, Remya and Walia, Safal and Sayyad, Shahebaz I. and Gathalkar, Ganesh B. and Balamkundu, Seetharamsing and Joshi, Manali and Sen, Avalokiteswar and Reddy, D. Srinivasa} } @article {47355, title = {Imidazole/4,4 {\textquoteleft}-azopyridine bridging binuclear Ru(II) complexes: design, synthesis, bimolecular interactions and cytotoxicity against HeLa cell line}, journal = {Journal of the Iranian Chemical Society}, volume = {18}, year = {2021}, month = {DEC}, type = {Article}, abstract = {

Binuclear Ru(II)-arene complexes [(eta(6)-pcym)(Flq)Ru(mu-im/mu-azpy)Ru(Flq)(eta(6)-p-cym)]Cl (C1-C8) (cym = cymene; Flq = fluoroquinolones; im = imidazole; azpy = 4,4 {\textquoteleft} azo pyridine) have been synthesized and characterized by elemental analysis, molar conductivity and various spectral techniques (ESI-MS, IR, UV-Vis and H-1-NMR). The geometry of the complexes was optimized by DFT calculations, which revealed a pseudo-octahedral coordination around each metal centre. Binding of the synthesized complexes with CT-DNA and BSA was studied spectroscopically, and it has been established that the presence of two hydrophobic planar arene moieties enhances the binding efficacies of the binuclear complexes to the macromolecules, compared to their mononuclear analogues. The results of competitive binding between C1-C8 and ethidium bromide (EB) towards DNA have shown that the complexes are able to displace EB from DNA-EB adduct and interact with DNA via intercalation. The complexes display cytotoxicity against the HeLa human cervical cancer cell lines with IC50 values in the range of 30.1-120.9 mu M.

}, keywords = {Binuclear ruthenium (II) complexes, BSA binding interactions, DFT calculations, DNA, Fluoroquinolones (FQs), HeLa human cervical carcinoma}, issn = {1735-207X}, doi = {10.1007/s13738-021-02271-3, Early Access Date = MAY 2021}, author = {Khanvilkar, Priyanka and Dash, Soumya R. and Pulipaka, Ramadevi and Shirsath, Kavita and Devkar, Ranjitsinh and Chakraborty, Debjani} } @article {47072, title = {Improving the optical and thermoelectric properties of Cs2InAgCl6 with heavy substitutional doping: a DFT insight}, journal = {RSC Advances}, volume = {11}, year = {2021}, month = {FEB }, pages = {5521-5528}, type = {Article}, abstract = {

The next-generation indium-based lead-free halide material Cs2InAgCl6 is promising for photovoltaic applications due to its good air stability and non-toxic behavior. However, its wide bandgap (\>3 eV) is not suitable for the solar spectrum and hence reduces its photoelectronic efficiency for device applications. Here we report a significant bandgap reduction from 2.85 eV to 0.65 eV via substitutional doping and its effects on the optoelectronic and opto-thermoelectric properties from a first-principles study. The results predict that Sn/Pb and Ga and Cu co-doping will enhance the density of states significantly near the valence band maximum (VBM) and thus reduce the bandgap via shifting the VBM upward, while alkali metals (K/Rb) slightly increase the bandgap. A strong absorption peak near the Shockley-Queisser limit is observed in the co-doped case, while in the Sn/Pb-doped case, we notice a peak in the middle of the visible region of the solar spectrum. The nature of the bandgap is indirect with Cu-Ga/Pb/Sn doping, and a significant reduction in the bandgap, from 2.85 eV to 0.65 eV, is observed in the case of Ga-Cu co-doping. We observe a significant increase in the power factor (PF) (2.03 mW m(-1) K-2) for the n-type carrier after Pb-doping, which is similar to 3.5 times higher than in the pristine case (0.6 mW m (-1) K-2) at 500 K.

}, doi = {10.1039/d0ra01840f}, author = {Bhamu, K. C. and Haque, Enamul and Praveen, C. S. and Kumar, Nandha and Yumnam, G. and Hossain, Md. Anwar and Sharma, Gautam} } @article {47125, title = {In silico studies, synthesis and antitubercular activity of some novel quinoline - azitidinone derivatives}, journal = {Current Computer-Aided Drug Design}, volume = {17}, year = {2021}, month = {JAN}, pages = {134-143}, type = {Article}, abstract = {

Background: Diarylquinolines like Bedaquiline have shown promising antitubercular activity by their action of Mycobacterial ATPase. Objective: The structural features necessary for a good antitubercular activity for a series of quinoline derivatives were explored through computational chemistry tools like QSAR and combinatorial library generation. In the current study, 3-Chloro-4-(2-mercaptoquinoline-3-yl)-1-substitutedphenylazitidin-2-one derivatives have been designed and synthesized based on molecular modeling studies as anti-tubercular agents. Methods: 2D and 3D QSAR analyses were used to designed compounds having a quinoline scaffold. The synthesized compounds were evaluated against active and dormant strains of Mycobacterium tuberculosis (MTB) H37 Ra and Mycobacterium bovis BCG. The compounds were also tested for cytotoxicity against MCF-7, A549 and Panc-1 cell lines using MTT assay. The binding affinity of designed compounds was gauged by molecular docking studies. Results: Statistically significant QSAR models generated by the SA-MLR method for 2D QSAR exhibited r(2) = 0.852, q(2) = 0.811, whereas 3D QSAR with SA-kNN showed q(2) = 0.77. The synthesized compounds exhibited MIC in the range of 1.38-14.59(mu g/ml). These compounds showed some crucial interaction with MTB ATPase. Conclusion: The present study has shown some promising results which can be further explored for lead generation.

}, keywords = {combilib, Molecular docking, mycobacterial ATPase, QSAR, Quinoline}, issn = {1573-4099}, doi = {10.2174/1573409916666200129095952}, author = {Chitre, Trupti S. and Asgaonkar, Kalyani D. and Vikhe, Amrut B. and Patil, Shital M. and Garud, Dinesh R. and Khedkar, Vijay M. and Sarkar, Dhiman and Nawale, Laxman U. and Yeware, Amar} } @article {46766, title = {In situ preparation of ionomer as a tool for triple-phase boundary enhancement in 3D graphene supported Pt catalyst}, journal = {Advanced Sustainable Systems}, volume = {5}, year = {2021}, month = {JAN}, pages = {2000125}, type = {Article}, abstract = {

For improving the performance of platinum electrocatalysts in polymer electrolyte membrane fuel cells (PEMFCs), it is important to enhance the Pt utilization level in the catalyst systems. A high performing electrocatalyst (Pt/3DNG) is developed for PEMFC applications by using nitrogen-doped 3D graphene (3DNG) as the support material and an in situ grafted active {\textquoteleft}{\textquoteleft}triple-phase boundary{\textquoteright}{\textquoteright} to more precisely control the formation of the proton conducting ionomer interface at the active sites. Considering the 3D morphology of the system, during the electrode fabrication for realistic single-cell evaluation, the concept of in situ generation of the proton conducting-ionomer based {\textquoteleft}{\textquoteleft}active triple-phase boundary{\textquoteright}{\textquoteright} is introduced, which could potentially replace the conventional method of using Nafion ionomer for the electrode preparation. The monomers owing to their small-size can access the pores and inner regions of the 3DNG support, which on UV-curing, undergo polymerization and transform into an ionomer with an extended interfacial network into the nanoregimes of 3DNG. Single cell evaluation of the membrane electrode assembly in a high-temperature PEMFC by using phosphoric acid doped polybenzimidazole membrane demonstrates the utility of the present strategy.

}, keywords = {electrocatalysts, fuel cells, graphene, oxygen reduction reaction}, issn = {2366-7486}, doi = {10.1002/adsu.202000125, Early Access Date = JUL 2020}, author = {Gangadharan, Pranav K. and Vijayakumar, Vidyanand and Nediyirakkal, Shijil A. and Fernandez, Roshni Tresa and Siddharthan, V. Adhrika and Kurungot, Sreekumar} } @article {47807, title = {In vitro antitubercular screening and in silico study of germacradienolide from blainvillea latifolia}, journal = {Asian Journal of Chemistry}, volume = {33}, year = {2021}, month = {JAN}, pages = {3129-3133}, type = {Article}, abstract = {Bioassay-guided isolation from acetone extract of Blainvillea latifolia yielded one compound. The acetone extract, fractions and the compound 1 were investigated for antitubercular activity against Mycobacterium tuberculosis H37Ra. Compound 1 showed the activity with IC50 and MIC values at 8.9 and >100 μg/mL. However, the acetone extract of Blainvillea latifolia was inactive against two Gram negative (E. coli, P. flurescence) and two Gram-positive (S. aureus, B. subtilis) bacterial strains. Hence, it was concluded that the extract and the compound 1 are specifically active against MTB and not against bacterial strains. Molecular docking study was performed against crucial mycobacterial target MtInhA to gain an insight into the binding mode and the thermodynamic interactions governing the binding affinity of this molecule. }, doi = {10.14233/ajchem.2021.23537}, author = {Honmore, Varsha and Kalyankar, Vidya and Natu, Arun and Khedkar, Vijay and Sarkar, Dhiman and Rojatkar, Supada} } @article {47083, title = {Influence of domestication on specialized metabolic pathways in fruit crops}, journal = {Planta}, volume = {253}, year = {2021}, month = {FEB }, pages = {61}, type = {Review}, abstract = {

Main conclusionDuring the process of plant domestication, the selection and traditional breeding for desired characters such as flavor, juiciness and nutritional value of fruits, probably have resulted in gain or loss of specialized metabolites contributing to these traits. Their appearance in fruits is likely due to the acquisition of novel and specialized metabolic pathways and their regulation, driven by systematic molecular evolutionary events facilitated by traditional breeding.AbstractPlants change their armory of specialized metabolism to adapt and survive in diverse ecosystems. This may occur through molecular evolutionary events, such as single nucleotide polymorphism, gene duplication and transposition, leading to convergent or divergent evolution of biosynthetic pathways producing such specialized metabolites. Breeding and selection for improved specific and desired traits (fruit size, color, taste, flavor, etc.) in fruit crops through conventional breeding approaches may further alter content and profile of specialized metabolites. Biosynthetic routes of these metabolites have been studied in various plants. Here, we explore the influence of plant domestication and breeding processes on the selection of biosynthetic pathways of favorable specialized metabolites in fruit crops. An orderly clustered arrangement of genes associated with their production is observed in many fruit crops. We further analyzed selection-based acquisition of specialized metabolic pathways comparing first the metabolic profiles and genes involved in their biosynthesis, followed by the genomic organization of such genes between wild and domesticated horticultural crops. Domestication of crop plants favored the acquisition and retention of metabolic pathways that enhanced the fruit value while eliminated those which produced toxic or unfavorable metabolites. Interestingly, unintentional reorganization of complex metabolic pathways by selection and traditional breeding processes has endowed us with flavorful, juicy and nutritionally rich fruits.

}, keywords = {Aroma, Domestication, Flavour, Fruit crops, Gene cluster, Specialized metabolites, Taste}, issn = {0032-0935}, doi = {10.1007/s00425-020-03554-4}, author = {Dar, M. Saleem and Dholakia, Bhushan B. and Kulkarni, Abhijeet P. and Oak, Pranjali S. and Shanmugam, Dhanasekaran and Gupta, Vidya S. and Giri, Ashok P.} } @article {47445, title = {Influence of sodium caseinate, maltodextrin, pectin and their Maillard conjugate on the stability, in vitro release, anti-oxidant property and cell viability of eugenol-olive oil nanoemulsions}, journal = {International Journal of Biological Macromolecules}, volume = {183}, year = {2021}, month = {JUL}, pages = {158-170}, type = {Article}, abstract = {

The influence of protein (sodium caseinate-SC), polysaccharide (maltodextrin-MD; pectin-PC) and their Maillard conjugates (sodium caseinate maltodextrin conjugate-SCMDC; sodium caseinate pectin conjugate-SCPCC) were studied on the physico-chemical and biological properties of eugenol nanoemulsions/powder. The chemical composition was optimized using Taguchi design. The particles size of eugenol nanoemulsions with SC, MD, PC, SCMDC and SCPCC were 104.6, 323.5, 1872, 181.7, and 454.4 nm, respectively while their zeta potentials were -31.2, -28.5, -21.4, -40.1 and -25.1 mV, respectively. Turbidity studies revealed higher stability of nanoemulsion prepared with Maillard conjugate (SCMDC) compared to protein or polysaccharides alone. The dispersion of SCMDC eugenol nanoparticles in buffer was prepared to study its stability at different pH (3.0, 5.0, and 7.0) and temperature (4{\textdegree}, 37{\textdegree}, 60 {\textdegree}C) range. In-vitro enzymatic release study showed 31 and 74\% release of eugenol after 6 h at pH 2.4 and 7.4, respectively. In vitro antioxidant capacity of SCMDC encapsulated eugenol was higher than native eugenol, as demonstrated by free radical scavenging assays. In comparison to native eugenol, E:SCMDC eugenol showed reduced toxicity. These findings suggested that nanoencapsulated eugenol (E:SCMDC) have a huge potential in nutraceutical and therapeutic applications.

}, doi = {10.1016/j.ijbiomac.2021.04.122}, author = {Nagaraju, Pramod G. and Sindhu, P. and Dubey, Tushar and Chinnathambi, Subashchandrabose and Priyadarshini, Poornima and Rao, Pooja J.} } @article {47708, title = {An innovative light assisted production of acetic acid from CO2 and methanol: a first photocatalytic approach using a reusable cobalt(ii) molecular hybrid at atmospheric pressure}, journal = {Green Chemistry}, volume = {23}, year = {2021}, month = {NOV}, pages = {9048-9060}, type = {Article}, abstract = {Acetic acid is an important commodity chemical that is produced either by fermentation processes, or more commonly, through chemical routes such as methanol carbonylation with CO and H-2, acetaldehyde oxidation, or hydrocarbon oxidation. More recently, methanol hydrocarboxylation with CO2 and H-2 under thermal catalytic conditions has attracted interest. The synthesis of acetic acid from easily available CO2 is of great significance yet rarely reported. The present paper describes the first photocatalytic approach for the synthesis of acetic acid from methanol and CO2 under ambient reaction conditions without using molecular hydrogen. The maximum conversion of methanol achieved is 60\% with a selectivity of 81\% towards acetic acid using an octa-sulfur bound cobalt phthalocyanine (CoPc/S8) photocatalyst without an additional sacrificial electron donor. Product analysis, controlled experiments and DFT calculations suggest the formation of methylene carbene as a reactive intermediate. The developed methodology represents a potentially exciting approach for synthesizing acetic acid utilizing CO2 in a sustainable manner.}, issn = {1463-9262}, doi = {10.1039/d1gc02728j}, author = {Saini, Sandhya and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Ray, Anjan and Jain, Suman L.} } @article {47390, title = {Insights from a pan India Sero-epidemiological survey (Phenome-India Cohort) for SARS-CoV2}, journal = {eLife}, volume = {10}, year = {2021}, month = {APR }, pages = {e66537}, type = {Article}, abstract = {

To understand the spread of SARS-CoV2, in August and September 2020, the Council of Scientific and Industrial Research (India) conducted a serosurvey across its constituent laboratories and centers across India. Of 10,427 volunteers, 1058 (10.14\%) tested positive for SARS-CoV2 anti-nucleocapsid (anti-NC) antibodies, 95\% of which had surrogate neutralization activity. Three-fourth of these recalled no symptoms. Repeat serology tests at 3 (n = 607) and 6 (n = 175) months showed stable anti-NC antibodies but declining neutralization activity. Local seropositivity was higher in densely populated cities and was inversely correlated with a 30-day change in regional test positivity rates (TPRs). Regional seropositivity above 10\% was associated with declining TPR. Personal factors associated with higher odds of seropositivity were high-exposure work (odds ratio, 95\% confidence interval, p value: 2.23, 1.92-2.59, \<0.0001), use of public transport (1.79, 1.43-2.24, \<0.0001), not smoking (1.52, 1.16-1.99, 0.0257), non-vegetarian diet (1.67, 1.41-1.99, \<0.0001), and B blood group (1.36, 1.15-1.61, 0.001).

}, issn = {2050-084X}, doi = {10.7554/eLife.66537}, author = {Naushin, Salwa and Sardana, Viren and Ujjainiya, Rajat and Bhatheja, Nitin and Kutum, Rintu and Bhaskar, Akash Kumar and Pradhan, Shalini and Prakash, Satyartha and Khan, Raju and Rawat, Birendra Singh and Tallapaka, Karthik Bharadwaj and Anumalla, Mahesh and Chandak, Giriraj Ratan and Lahiri, Amit and Kar, Susanta and Mulay, Shrikant Ramesh and Mugale, Madhav Nilakanth and Srivastava, Mrigank and Khan, Shaziya and Srivastava, Anjali and Tomar, Bhawana and Veerapandian, Murugan and Venkatachalam, Ganesh and Vijayakumar, Selvamani Raja and Agarwal, Ajay and Gupta, Dinesh and Halami, Prakash M. and Peddha, Muthukumar Serva and Sundaram, Gopinath M. and Veeranna, Ravindra P. and Pal, Anirban and Agarwal, Vinay Kumar and Maurya, Anil Ku and Singh, Ranvijay Kumar and Raman, Ashok Kumar and Anandasadagopan, Suresh Kumar and Karuppanan, Parimala and Venkatesan, Subramanian and Sardana, Harish Kumar and Kothari, Anamika and Jain, Rishabh and Thakur, Anupama and Parihar, Devendra Singh and Saifi, Anas and Kaur, Jasleen and Kumar, Virendra and Mishra, Avinash and Gogeri, Iranna and Rayasam, Geethavani and Singh, Praveen and Chakraborty, Rahul and Chaturvedi, Gaura and Karunakar, Pinreddy and Yadav, Rohit and Singhmar, Sunanda and Singh, Dayanidhi and Sarkar, Sharmistha and Bhattacharya, Purbasha and Acharya, Sundaram and Singh, Vandana and Verma, Shweta and Soni, Drishti and Seth, Surabhi and Vashisht, Sakshi and Thakran, Sarita and Fatima, Firdaus and Singh, Akash Pratap and Sharma, Akanksha and Sharma, Babita and Subramanian, Manikandan and Padwad, Yogendra S. and Hallan, Vipin and Patial, Vikram and Singh, Damanpreet and Tripude, Narendra Vijay and Chakrabarti, Partha and Maity, Sujay Krishna and Ganguly, Dipyaman and Sarkar, Jit and Ramakrishna, Sistla and Kumar, Balthu Narender and Kumar, Kiran A. and Gandhi, Sumit G. and Jamwal, Piyush Singh and Chouhan, Rekha and Jamwal, Vijay Lakshmi and Kapoor, Nitika and Ghosh, Debashish and Thakkar, Ghanshyam and Subudhi, Umakanta and Sen, Pradip and Chaudhury, Saumya Ray and Kumar, Rashmi and Gupta, Pawan and Tuli, Amit and Sharma, Deepak and Ringe, Rajesh P. and Amarnarayan, D. and Kulkarni, Mahesh and Shanmugam, Dhansekaran and Dharne, Mahesh S. and Dastager, Sayed G. and Joshi, Rakesh and Patil, Amita P. and Mahajan, Sachin N. and Khan, Abujunaid Habib and Wagh, Vasudev and Yadav, Rakesh Kumar and Khilari, Ajinkya and Bhadange, Mayuri and Chaurasiya, Arvindkumar H. and Kulsange, Shabda E. and Khairnar, Krishna and Paranjape, Shilpa and Kalita, Jatin and Sastry, Narahari G. and Phukan, Tridip and Manna, Prasenjit and Romi, Wahengbam and Bharali, Pankaj and Ozah, Dibyajyoti and Sahu, Ravi Kumar and Babu, Elapavalooru Vssk and Sukumaran, Rajeev and Nair, Aiswarya R. and Valappil, Prajeesh Kooloth and Puthiyamadam, Anoop and Velayudhanpillai, Adarsh and Chodankar, Kalpana and Damare, Samir and Madhavi, Yennapu and Aggarwal, Ved Varun and Dahiya, Sumit and Agrawal, Anurag and Dash, Debasis and Sengupta, Shantanu} } @article {46630, title = {Insights into the nature of self-extinguishing external donors for ziegler-natta catalysis: a combined experimental and DFT study}, journal = {ChemCatChem}, volume = {13}, year = {2021}, month = {JAN }, pages = {674-681}, type = {Article}, abstract = {

Developing donors for Ziegler-Natta (ZN) catalysis to control the polymerization reaction and produce polymers with desirable properties has always been challenging due to the multi-component nature of the catalytic systems. Here, we have developed a new synthetic protocol for making two external donors, D-1 (2,2,2-trifluoroethyl myristate) and D-2 (2,2,2-trifluoroethyl palmitate) that show self-extinguishing properties, followed by a systematic DFT study to understand this peculiar property of these donors. D-1 and D-2 can undergo parallel reactions with aluminum and titanium species present in the system to produce ketones and aldehydes, which are poisons for ZN catalytic systems, thus explaining their self-extinguishing nature. The non-covalent interaction between the long alkyl chain of the donors with the surface plays a vital role in determining the donors {\textquoteleft} self-extinguishing nature. There is a significant thermodynamic preference for the binding of the donor with the longer alkyl chain at the titanium center. The current work, therefore, provides interesting insights into how self-extinguishing donors function in ZN catalytic systems.

}, keywords = {DFT, donors, non-covalent interactions, self-extinguishing, Ziegler-Natta catalysis}, issn = {1867-3880}, doi = {10.1002/cctc.202001493, Early Access Date = NOV 2020}, author = {Vipin Raj, K. and Kumawat, Jugal and Dhamaniya, Sunil and Subaramanian, Murugan and Balaraman, Ekambaram and Kumar Gupta, Virendra and Vanka, Kumar and Grubbs, Robert H.} } @article {47754, title = {In-situ experimental and computational approach to investigate the nature of active site in low-temperature CO-PROX over CuOx-CeO2 catalyst}, journal = {Applied Catalysis A-General}, volume = {624}, year = {2021}, month = {AUG }, pages = {118305}, type = {Article}, abstract = {Preferential oxidation (PROX) of carbon monoxide (CO) in presence of excess hydrogen is a necessity to prevent poisoning of the Pt-anode by CO in PEMFCs (Polymer Electrolyte Membrane Fuel Cell). A highly active catalyst, 5 wt\% Cu-CeO2 showed 100 \% CO conversion at 65 degrees C without any undesirable oxidation of H-2. The catalyst showed no deactivation even after 100 h on stream, making it viable for practical fuel cell application. Operando EPR in the PROX reaction condition revealed highly dispersed mixed valent cations with oxygen vacancies, responsible for the low-temperature PROX activity. At the active site, both Cu and Ce ions were shown to reversibly change their valence states to facilitate the abstraction of bridging lattice oxygen for CO oxidation to CO2. This surface oxygen mediated CO oxidation was found to be much faster than that of H-2 to H2O, which could explain the complete selectivity of oxygen for CO2 formation.}, keywords = {CuOx-CeO2, interface, Oxygen vacancy, PROX, Synergistic}, issn = {0926-860X}, doi = {10.1016/j.apcata.2021.118305}, author = {Adak, Shubhadeep and Rabeah, Jabor and Ranjan, Ravi and Khan, Tuhin Suvra and Poddar, Mukesh Kumar and Gupta, Rishi Kumar and Sasaki, Takehiko and Kumar, Sagar and Bordoloi, Ankur and Gopinath, Chinnakonda S. and Bruckner, Angelika and Bal, Rajaram} } @article {47652, title = {Iron catalyzed tandem ring opening/1,6-conjugate addition of cyclopropanols with p-quinone methides: new access to gamma,gamma-diaryl ketones}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {DEC }, pages = {13582-13585}, type = {Article}, abstract = {An iron(iii) catalyzed tandem ring opening/1,6-conjugate addition of cyclopropanols to p-quinone methides leading to gamma,gamma-diaryl ketones has been described. This catalytic protocol provides a novel and efficient method to access gamma,gamma-diaryl ketone derivatives in good to excellent yields with high functional group tolerance. Importantly, gamma,gamma-diaryl ketone can be further functionalized to give a versatile set of useful products.}, issn = {1359-7345}, doi = {10.1039/d1cc05997a}, author = {Shirsath, Sachin R. and Chandgude, Sagar M. and Muthukrishnan, M.} } @article {47130, title = {Laser patterning of boron carbon nitride electrodes for flexible micro-supercapacitor with remarkable electrochemical stability/capacity}, journal = {Carbon}, volume = {171}, year = {2021}, month = {JAN}, pages = {750-757}, type = {Article}, abstract = {

High performance, all solid-state planar micro-supercapacitor (MSC) with interdigitated Boron carbon Nitride (BCN) electrodes are fabricated via fast, scalable laser patterning technique. Heteroatom doping desirably enhances the electrochemical activity of carbon electrodes. This BCN based micro-supercapacitor showed comparatively very high specific capacitance of 72 mFcm(-2) at a current density of 0.15 mAcm(-2). Even at a high current density of 1 mAcm(-2) device showed specific capacitance as high as 17 mFcm(-2). It has demonstrated excellent electrochemical stability when tested up to 80000 cycles without any sign of further decay in capacity/efficiency. This device showed stable capacity even after bending at 150 degrees angle, for 1500 times during cycling showing remarkable flexibility. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {BCN, Co-doping, Energy storage, Flexible, Laser patterning, Micro-supercapacitor}, issn = {0008-6223}, doi = {10.1016/j.carbon.2020.09.053}, author = {Karbhal, Indrapal and Basu, Aniruddha and Patrike, Apurva and Shelke, Manjusha V.} } @article {47343, title = {Limonoid biosynthesis 3: functional characterization of crucial genes involved in neem limonoid biosynthesis (vol 184, 112669, 2021)}, journal = {Phytochemistry}, volume = {187}, year = {2021}, month = {JUL}, pages = {112751}, type = {Correction}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.112751}, author = {Pandreka, Avinash and Chaya, Patil S. and Kumar, Ashish and Aarthy, Thiagarayaselvam and Mulani, Fayaj A. and Bhagyashree, Date D. and Shilpashree, H. B. and Jennifer, Cheruvathur and Ponnusamy, Sudha and Nagegowda, Dinesh and Thulasiram, Hirekodathakallu V.} } @article {47033, title = {Limonoid biosynthesis 3: functional characterization of crucial genes involved in neem limonoid biosynthesis}, journal = {Phytochemistry}, volume = {184}, year = {2021}, month = {APR}, pages = {112669}, type = {Article}, abstract = {

Neem (Azadirachta indica L.) is well known for its medicinal, agricultural, and pesticidal applications since ages. The secondary metabolites, limonoids, confer these biological properties, wherein over 150 different limonoids have been reported from neem. To understand limonoid biosynthesis, we analyzed tissue-specific (kernel, pericarp, leaves, and flower) transcriptome that resulted in the identification of one farnesyl diphosphate synthase (AiFDS), one squalene synthase (AiSQS), three squalene epoxidases (AiSQE1, AiSQE2, and AiSQE3), two triterpene synthases (AiTTS1 and AiTTS2), cycloartenol synthase (AiCAS), two cytochrome P450 reductases, and ten cytochrome P450 systems. Comparative tissue-expression analysis indicated that AiFDS, AiSQS, AiSQE3, and AiTTS1 are expressed higher in the kernel than in the other tissues. Heterologously expressed recombinant AiTTS1 produced tirucalla-7,24-dien-3 beta-ol as the sole product. Expression profile data, phylogeny with triterpene synthases from Meliaceae and Rutaceae families, real-time PCR of different tissues, and transient transformation revealed the involvement of tirucalla-7,24-dien-3 beta-ol synthase (AiTTS1) in limonoid biosynthesis. Further, mutagenesis studies of AiTTS1 indicated that Y125 and F260 are probably involved in stabilization of dammarenyl cation. A 2.6-fold increase in production of tirucalla-7,24-dien-3 beta-ol was observed when AiSQE1 was coexpressed with mutant AiTTS1 in a yeast system. Furthermore, we functionally characterized the highly expressed cytochrome P450 reductases and cycloartenol synthase. This study helps in further analysis and identification of genes involved in limonoid biosynthesis in Meliaceae/Rutaceae and their production in a metabolically tractable heterologous system.

}, keywords = {24-dien-3 beta-ol, Azadirachta indica A. Juss., Cytochrome P450 system, Limonoids, Meliaceae, Tirucalla-7, Transcriptome}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.112669}, author = {Pandreka, Avinash and Chaya, Patil S. and Kumar, Ashish and Aarthy, Thiagarayaselvam and Mulani, Fayaj A. and Bhagyashree, Date D. and Shilpashree, H. B. and Jennifer, Cheruvathur and Ponnusamy, Sudha and Nagegowda, Dinesh and Thulasiram, V. Hirekodathakallu} } @article {47058, title = {Lithium compound catalyzed deoxygenative hydroboration of primary, secondary and tertiary amides}, journal = {Dalton Transactions}, volume = {50}, year = {2021}, month = {FEB}, pages = {2354-2358}, type = {Article}, abstract = {

A selective and efficient route for the deoxygenative reduction of primary to tertiary amides to corresponding amines has been achieved with pinacolborane (HBpin) using simple and readily accessible 2,6-di-tert-butyl phenolate lithium center dot THF (1a) as a catalyst. Both experimental and DFT studies provide mechanistic insight.

}, issn = {1477-9226}, doi = {10.1039/d1dt00364j}, author = {Bisai, Milan Kumar and Gour, Kritika and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {47034, title = {Loss of a water-mediated network results in reduced agonist affinity in a beta(2)-adrenergic receptor clinical variant}, journal = {Biochimica ET Biophysica Acta-Proteins and Proteomics}, volume = {1869}, year = {2021}, month = {APR}, pages = {140605}, type = {Article}, abstract = {

The beta(2)-adrenergic receptor (beta(2)AR) is a member of the G protein-coupled receptor (GPCR) family that is an important drug target for asthma and COPD. Clinical studies coupled with biochemical data have identified a critical receptor variant, Thr164Ile, to have a reduced response to agonist-based therapy, although the molecular mechanism underlying this seemingly {\textquoteleft}{\textquoteleft}non-deleterious{\textquoteright}{\textquoteright} substitution is not clear. Here, we couple molecular dynamics simulations with network analysis and free-energy calculations to identify the molecular determinants underlying the differential drug response. We are able to identify hydration sites in the transmembrane domain that are essential to maintain the integrity of the binding site but are absent in the variant. The loss of these hydration sites in the variant correlates with perturbations in the intra-protein interaction network and rearrangements in the orthosteric ligand binding site. In conjunction, we observe an altered binding and reduced free energy of a series of agonists, in line with experimental trends. Our work identifies a functional allosteric pathway connected by specific hydration sites in beta(2)AR that has not been reported before and provides insight into water-mediated networks in GPCRs in general. Overall, the work is one of the first step towards developing variant-specific potent and selective agonists.

}, keywords = {beta(2)-Adrenergic receptor, G protein coupled receptor, GPCR, molecular dynamics, Pharmacogenetics, SNP}, issn = {1570-9639}, doi = {10.1016/j.bbapap.2021.140605}, author = {Nikte, V. Siddhanta and Sonar, Krushna and Tandale, Aditi and Joshi, Manali and Sengupta, Durba} } @article {47721, title = {Lsi2: A black box in plant silicon transport}, journal = {Plant and Soil}, volume = {466}, year = {2021}, month = {SEP}, pages = {1-20}, type = {Review}, abstract = {Background Silicon (Si) is widely considered a non-essential but beneficial element for higher plants, providing broad protection against various environmental stresses (both biotic and abiotic), particularly in species that can readily absorb the element. Two plasma-membrane proteins are known to coordinate the radial transport of Si (in the form of Si(OH)(4)) from soil to xylem within roots: the influx channel Lsi1 and the efflux transporter Lsi2. From a structural and mechanistic perspective, much more is known about Lsi1 (a member of the NIP-III subgroup of the Major Intrinsic Proteins) compared to Lsi2 (a putative Si(OH)(4)/H+ antiporter, with some homology to bacterial anion transporters). Scope Here, we critically review the current state of understanding regarding the physiological role and molecular characteristics of Lsi2. We demonstrate that the structure-function relationship of Lsi2 is largely uncharted and that the standing transport model requires much better supportive evidence. We also provide (to our knowledge) the most current and extensive phylogenetic analysis of Lsi2 from all fully sequenced higher-plant genomes. We end by suggesting research directions and hypotheses to elucidate the properties of Lsi2. Conclusions Given that Lsi2 is proposed to mediate xylem Si loading and thus root-to-shoot translocation and biosilicification, it is imperative that the field of Si transport focus its efforts on a better understanding of this important topic. With this review, we aim to stimulate and advance research in the field of Si transport and thus better exploit Si to improve crop resilience and agricultural output.}, keywords = {Efflux, Lsi2, Membrane transport, Root-to-shoot translocation, silicon, Xylem loading}, issn = {0032-079X}, doi = {10.1007/s11104-021-05061-1}, author = {Coskun, Devrim and Deshmukh, Rupesh and Shivaraj, S. M. and Isenring, Paul and Belanger, Richard R.} } @article {47681, title = {Magnetic and magnetoelastic properties of Ni-substituted cobalt ferrite}, journal = {IEEE Magnetics Letters}, volume = {12}, year = {2021}, month = {JAN}, pages = {2504205}, type = {Article}, abstract = {In this letter, magnetic and magnetostriction studies were performed on spinel ferrite Co1-xNixFe2O4 (CNF series) with 0.0 < x < 0.5. All the samples were synthesized by the conventional ceramic method and confirmed to be forming pure spinel phase. The unit cell parameter showed gradual decrease with increasing Ni content. A linear decrease in saturation magnetization (M-s) and coercivity (H-c) was observed with increasing Ni substitution, which could be attributed to reduced magneto-crystalline anisotropy. The room temperature magnetostriction studies revealed a slow decrease in maximum magnetostriction, and interestingly, for 20\% reduction of cobalt concentration, i.e., for x = 0.2, a magnetostrictive strain of -164 ppm and substantially high stress sensitivity of -56 x 10(-6) A(-1) m were observed, making Co0.8Ni0.2Fe2O4 suitable for application as a magnetostrictive stress-sensing material.}, keywords = {Ferrite, Magnetism in solids, Magnetostriction, oxide, stress sensing}, issn = {1949-307X}, doi = {10.1109/LMAG.2021.3120942}, author = {Bhame, Shekhar D. and Shirolkar, Mandar M. and Joy, Pattayil A.} } @article {47575, title = {Mechanical and microstructural studies in a polysaccharide-acrylate double network hydrogel}, journal = {Journal of the Mechanical Behavior of Biomedical Materials}, volume = {124}, year = {2021}, month = {DEC}, pages = {104839}, type = {Article}, abstract = {Polymeric hydrogels continue to find a wide range of applications. However, a major drawback of hydrogels is the lack of mechanical strength. In this regard, {\textquoteleft}{\textquoteleft}Double Network Hydrogels{\textquoteright}{\textquoteright} (DN) have shown great promise recently. The toughness in DN hydrogels originates from the synergistic effect of two polymeric networks. In this work, we have synthesized a DN hydrogel consisting of a tightly cross linked carboxymethylcellulose (CMC) as the first network and loosely cross linked poly(hydroxyethylacrylate) (PHEA) as a second network (CMC-PHEADN). The required flexibility in the second network (PHEA) was induced by the presence of a small amount of stearyl methacrylate (SM) as a co-monomer in hydroxyl ethyl acrylate (HEA). The compressive strength of the CMC-PEHA-DN hydrogel was found to be 280 times more than that of CMC-SN hydrogel, and the presence of SM in DN hydrogels showed better recovery after deformation. Cell viability studies showed the biocompatibility of DN hydrogels. The micro-structural analysis of DN xerogels by 3D X-ray Microtomography indicated the presence of oriented pores in size range of 30-40 mu m. To the best of our knowledge, Microtomography was used for the first time to study the DN gels. These hydrogels can be used to develop implants that can withstand prolonged stress and expand the life span of implants.}, keywords = {Carboxymethyl cellulose, Double network hydrogels, Poly(hydroxyethyl acrylate), Poly(hydroxyethyl-co-stearyl methacrylate)}, issn = {1751-6161}, doi = {10.1016/j.jmbbm.2021.104839}, author = {Torris, Arun and Nair, Sanoop and Mol, K. P. Raji and Sengupta, Poulomi and Badiger, Manohar} } @article {47435, title = {Mechanical properties of anodic titanium dioxide nanostructures}, journal = {Materiali in Tehnologije}, volume = {55}, year = {2021}, month = {JAN}, pages = {19-24}, type = {Article}, abstract = {

Highly ordered and uniform titanium dioxide (TiO2) nanotubes (NTs) with different morphologies (15 nm, 50 nm and 100 nm in diameter) were prepared by the electrochemical anodization of Ti substrates. The TiO2 NTs{\textquoteright} surface properties were characterized by X-ray diffraction (XRD) spectroscopy, Raman spectroscopy, scanning electron microscopy (SEM) and atomic force microscopy (AFM). The elastic modulus (E) and the Vickers hardness (HV) of the Ti foil and of the different-morphology TiO2 NTs were evaluated with the nano-indentation technique. E and HV increase with the decreasing length/diameter of the NTs, meaning that NTs with smaller diameters are more resistant to mechanical wear. The elastic modulus of the TiO2 NTs with 15-nm and 50-nm diameters is similar to that of the human bone.

}, keywords = {Elastic modulus, mechanical properties, titanium dioxide (TiO2) nanotubes, Vickers hardness}, issn = {1580-2949}, doi = {10.17222/mit.2020.109}, author = {Kulkarni, Mukta and Sepitka, Josef and Junkar, Ita and Bencina, Metka and Rawat, Niharika and Mazare, Anca and Rode, Chandrashekhar and Gokhale, Suresh and Schmuki, Patrik and Daniel, Matej and Iglic, Ales} } @article {47627, title = {Mechanistic investigations on the catalytic transfer hydrogenation of lignin-derived monomers over Ru catalysts: theoretical and kinetic studies}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {9}, year = {2021}, month = {OCT}, pages = {14040-14050}, type = {Article}, abstract = {The hydrodeoxygenation (HDO) reaction of oxygenated compounds such as lignin-derived phenolics is well studied using molecular H-2 as a hydrogen source, yet the use of high pressures discourages its use on an industrial scale. As an alternative, the catalytic transfer hydrogenation (CTH) pathway provides in situ hydrogenation species, which reduces the need for the high-pressure infrastructure required when molecular hydrogen is used. Nevertheless, this strategy is scantly studied, and in lieu with this, herein we report the kinetic and mechanistic investigations of the CTH strategy for the HDO of guaiacol, phenol, anisole veratrole, and eugenol to their respective products. For potential commercialization purposes, low loading of metal, milder reaction conditions, and high selectivity toward desired products with a high H/C ratio were considered while designing catalysts (0.5 wt \% Ru on SiO2-Al2O3, SiO2, Al2O3-acidic, Al2O3-basic, and Al2O3-neutral) for these reactions. As high as 74\% cyclohexanol yield from guaiacol was achieved at 225 degrees C in the presence of isopropyl alcohol (IPA) as the hydrogen source and over the Ru/Al2O3-acidic catalyst reduced at 150 degrees C. A detailed kinetic study is carried out to understand the interaction of the substrate and intermediates with the catalyst and the influence of reaction parameters on the product formation. It was observed that the cisisomer of 2-methoxycyclohexanol rapidly undergoes further conversion than the trans-isomer. The experimental observations are substantiated through density functional theory (DFT) studies on Ru(0001) and guaiacol molecule complexes. DFT studies indicate that the adsorption of the cis-isomer is more exothermic as compared to that of the trans counterpart, and the underlying electronic factors are elucidated using charge density difference and density of states plots.}, keywords = {catalytic transfer hydrogenation, Cyclohexanol, DFT, Hydrodeoxygenation, kinetics, lignin monomers, Supported metal catalysts}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c02942}, author = {Khan, Tufeil Sartaj and Singh, Dheerendra and Samal, Pragnya Paramita and Krishnamurty, Sailaja and Dhepe, Paresh Laxmikant} } @article {47123, title = {Metabolic engineering and synthetic biology for isoprenoid production in Escherichia coli and Saccharomyces cerevisiae}, journal = {Applied Microbiology and Biotechnology}, volume = {105}, year = {2021}, month = {JAN}, pages = {457-475}, type = {Review}, abstract = {

Isoprenoids, often called terpenoids, are the most abundant and highly diverse family of natural organic compounds. In plants, they play a distinct role in the form of photosynthetic pigments, hormones, electron carrier, structural components of membrane, and defence. Many isoprenoids have useful applications in the pharmaceutical, nutraceutical, and chemical industries. They are synthesized by various isoprenoid synthase enzymes by several consecutive steps. Recent advancement in metabolic engineering and synthetic biology has enabled the production of these isoprenoids in the heterologous host systems like Escherichia coli and Saccharomyces cerevisiae. Both heterologous systems have been engineered for large-scale production of value-added isoprenoids. This review article will provide the detailed description of various approaches used for engineering of methyl-d-erythritol-4-phosphate (MEP) and mevalonate (MVA) pathway for synthesizing isoprene units (C-5) and ultimate production of diverse isoprenoids. The review particularly highlighted the efforts taken for the production of C-5-C-20 isoprenoids by metabolic engineering techniques in E. coli and S. cerevisiae over a decade. The challenges and strategies are also discussed in detail for scale-up and engineering of isoprenoids in the heterologous host systems.

}, keywords = {Escherichia coli, Isoprenoids, Metabolic engineering, Saccharomyces cerevisiae, synthetic biology}, issn = {0175-7598}, doi = {10.1007/s00253-020-11040-w, Early Access Date = JAN 2021}, author = {Navale, Govinda R. and Dharne, Mahesh S. and Shinde, Sandip S.} } @article {47640, title = {Metal-free, acid-catalyzed 1,6-conjugate addition of NH-sulfoximines to para-quinone methides: accessing to diarylmethine imino sulfanone}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {AUG }, pages = {10129-10139}, type = {Article}, abstract = {We have reported an efficient and metal-free method for the construction of alpha-diarylmethine imino sulfanone using acid-catalyzed 1,6-conjugate addition of sulfoximines on para-quinine methides (p-QMs). This method showed broad functional group tolerance and a wide range of substrate scope with good to excellent yield. The excellent protocol exhibits mild reaction conditions with high atom economy. The practicability of the present method was supported by a Gram-scale reaction.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c00869}, author = {More, Satish G. and Rupanawar, Bapurao D. and Suryavanshi, Gurunath} } @article {47588, title = {Metal-free, Tf2NH-catalyzed 1, 6-conjugate addition of imidazopyridine to para-quinone methides: easy access to C3-functionalized triarylmethane imidazopyridine}, journal = {Tetrahedron}, volume = {101}, year = {2021}, month = {NOV}, pages = {132510}, type = {Article}, abstract = {An inexpensive and commercially available Tf2NH-catalyzed 1,6-conjugate addition of imidazopyridine (IMPY) heterocycles to para-quinone methides (p-QMs) is reported. The present transformation provides a diverse class of C3-functionalized triarylmethanes heterocyclic derivatives of imidazopyridine. These metal-free transformations provided a very broad substrate scope of conjugate addition product with a high yield up to 97\% within a short duration. (C) 2021 Elsevier Ltd. All rights reserved.}, keywords = {1, 6-Conjugate addition, Bronsted acid, C3-functionalization, Imidazopyridine, para-Quinone methide}, issn = {0040-4020}, doi = {10.1016/j.tet.2021.132510}, author = {Khonde, Nilesh S. and Said, Madhukar S. and Sabane, Jagjivan K. and Gajbhiye, Jayant M. and Kumar, Pradeep} } @article {46681, title = {Milder operating parameters for one-step conversion of fructose to levulinic acid over sulfonated H-beta zeolite in aqueous media}, journal = {Environmental Progress \& Sustainable Energy}, volume = {40}, year = {2021}, month = {JAN}, pages = {e13530}, type = {Article}, abstract = {

The sulfonated H-beta zeolite was successfully prepared and used for the synthesis of levulinic acid (LA) fromD-fructose. The catalyst was characterized by powder X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscope, N-2 physisorption, NH3-temperature programmed desorption and carbon-hydrogen-nitrogen-sulfur analysis. The total acid amount is increased with increase in sulfur loading, confirmed that the sulfonic acid group (SO3-H) is successfully grafted onto zeolite structure. The various parameters such as different amount of sulfur loading, reaction temperature, time, catalyst loading was studied for selective production of LA. The catalytic activity of sulfonated H-beta (S-beta) zeolite was found to be efficient for synthesis of LA from D-fructose in aqueous media. Maximum LA yield of 43.5 mol\%, low HMF yield (\<1\%) with 98.15\% fructose conversion was obtained with 3\% S-beta catalyst at 160 degrees C for 7 hr. The catalyst was reusable for minimum three times by H2O2 regeneration. This study provides the new zeolitic catalyst for the efficient production of LA at shorter reaction time (7 hr) and low catalyst to substrate ratio (0.7:1).

}, keywords = {conversion, D-fructose, H-beta, HMF, levulinic acid, sulfonated zeolite, yield}, issn = {1944-7442}, doi = {10.1002/ep.13530, Early Access Date = OCT 2020}, author = {Bisen, Swapneel K. and Niphadkar, Prashant S. and Nandanwar, Sachin U. and Simakova, Irina and Bokade, Vijay V.} } @article {47811, title = {Milder operating parameters for one-step conversion of fructose to levulinic acid over sulfonated H-β zeolite in aqueous media}, journal = {Environmental Progress \& Sustainable Energy}, volume = {40}, year = {2021}, month = {FEB}, pages = {e13530}, type = {Article}, abstract = {Abstract The sulfonated H-β zeolite was successfully prepared and used for the synthesis of levulinic acid (LA) from D-fructose. The catalyst was characterized by powder X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscope, N2 physisorption, NH3-temperature programmed desorption and carbon{\textendash}hydrogen{\textendash}nitrogen{\textendash}sulfur analysis. The total acid amount is increased with increase in sulfur loading, confirmed that the sulfonic acid group (SO3-H) is successfully grafted onto zeolite structure. The various parameters such as different amount of sulfur loading, reaction temperature, time, catalyst loading was studied for selective production of LA. The catalytic activity of sulfonated H-β (S-β) zeolite was found to be efficient for synthesis of LA from D-fructose in aqueous media. Maximum LA yield of 43.5 mol\%, low HMF yield (<1\%) with 98.15\% fructose conversion was obtained with 3\% S-β catalyst at 160{\textdegree}C for 7 hr. The catalyst was reusable for minimum three times by H2O2 regeneration. This study provides the new zeolitic catalyst for the efficient production of LA at shorter reaction time (7 hr) and low catalyst to substrate ratio (0.7:1).}, keywords = {conversion, D-fructose, H-β, HMF, levulinic acid, sulfonated zeolite, yield}, doi = {10.1002/ep.13530}, url = {https://aiche.onlinelibrary.wiley.com/doi/abs/10.1002/ep.13530}, author = {Bisen, Swapneel K. and Niphadkar, Prashant S. and Nandanwar, Sachin U. and Simakova, Irina and Bokade, Vijay V.} } @article {47354, title = {Molecular interplay at the membrane and impact on cellular physiology}, journal = {Journal of Membrane Biology}, volume = {254}, year = {2021}, month = {JUN}, pages = {239-242}, type = {Editorial Material}, issn = {0022-2631}, doi = {10.1007/s00232-021-00183-0, Early Access Date = MAY 2021}, author = {Pucadyil, Thomas and Kulkarni, Kiran and Sengupta, Durba} } @article {47619, title = {Molecularly engineered graphene oxide anchored metal organic assembly: an active site economic bi-functional electrocatalyst}, journal = {FlatChem}, volume = {29}, year = {2021}, month = {SEP}, pages = {100269}, type = {Article}, abstract = {Low-temperature fuel cells are the most promising sustainable energy technology as they use hydrogen, an environmentally clean fuel. However, the sluggish kinetics of oxygen electrochemistry, a chronic issue, is holding them from commercialization. Herein, we address this issue through a molecular level design of a Graphene oxide anchored Metal Organic Molecular Assembly (G-MOMA) based catalyst. This non-precious metal catalyst consists of Ni and Fe ions ligated by graphene oxide supported terpyridine, a unique molecular assembly design that maximizes the utilization of active metal centers. This G-MOMA catalyst brings down an over potential (240 mV) for oxygen evolution reaction (OER) as close as that of the bench mark catalyst Ru/C with an impressive Tafel slope of 58 mV/dec and a cyclic stability of >30,000 cycles. G-MOMA excels in oxygen reduction reaction (ORR) too with an onset at 0.88 V (vs RHE). The remarkably stable G-MOMA catalyst surprises with an excellent bi-functionality towards both OER and ORR with an overall potential difference of mere 0.77 V, which is 180 mV and 70 mV lesser than the standard Pt/C and Ru/C catalysts, respectively. The G-MOMA catalyst is well in the activity range of the state-of-art bi-functional catalysts and yet cheaper by many folds.}, keywords = {Bi-functional electrocatalyst, graphene oxide, Metal organic molecular assembly, Oxygen Evolution Reaction, oxygen reduction reaction, terpyridine}, issn = {2452-2627}, doi = {10.1016/j.flatc.2021.100269}, author = {Jhajharia, Suman Kumari and Selvaraj, Kaliaperumal} } @article {47074, title = {Multiple-parallel-protease digestion coupled with high-resolution mass spectrometry: an approach towards comprehensive peptide mapping of therapeutic mAbs}, journal = {Journal of Proteomics}, volume = {232}, year = {2021}, month = {FEB}, pages = {104053}, type = {Article}, abstract = {

Therapeutic monoclonal antibodies (mAbs) are structurally large and complex molecules. To be safe and efficacious, a biosimilar mAb must show high similarity to its reference product in Critical Quality Attributes (CQA). mAbs are highly sensitive to protein expression, production, manufacturing, supply chain, and storage conditions. All these factors make biosimilar mAbs intrinsically susceptible for variability during production. Accordingly, several lots of references and tests are required to establish the biosimilarity of a test mAb. The primary structure is a CQA of a mAb affecting its safety and efficacy. Here, we apply peptide mapping as an analytical method to decipher the primary structure and associated modifications for a quick quality assessment of TrastuzumAb and RituximAb innovator and biosimilar. A multiple-parallel-protease digestion strategy followed by high-resolution mass spectrometric analysis consistently achieved 100\% sequence coverage along with reliable detection of post-translational modifications. Additionally, the use of supporting methods such as intact mass analysis and circular dichroism helped us to decipher the primary and higher order structures of these mAbs. We identify discernible variations in the profile of the innovator and biosimilar mAbs and validate the method for quick yet deep comparability analysis of the primary structure of biosimilar mAbs sold in the market. Significance: Peptide mapping using bottom-up approach is one of the most common methods for the characterization of therapeutic monoclonal antibodies. Herein, we describe a multi-parallel-protease digestion strategy using a combination of five different proteases followed by high-resolution mass spectrometric analysis with TrastuzumAb and RituximAb as an example. This resulted in a comprehensive identification of peptides with increased reliability and identification of different PTMs. Additional supporting orthogonal methods like intact mass and higher-order structure analysis helped evaluate broader conformational properties.

}, keywords = {LC-MS/MS, PTM, RituximAb, Therapeutic monoclonal antibodies, TrastuzumAb}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.104053}, author = {Pradhan, Gauri and Sneha, J. M. and Sonwane, Babasaheb P. and Santhakumari, B. and Rao, Alka and Kulkarni, Mahesh J.} } @article {47104, title = {Myristic acid derived sophorolipid: efficient synthesis and enhanced antibacterial activity}, journal = {ACS Omega}, volume = {6}, year = {2021}, month = {JAN}, pages = {1273-1279}, type = {Article}, abstract = {

Microbial glycolipids are one of the most interesting alternatives to chemical-based surfactants as they exhibit improved biodegradability and less toxicity. However, their potential has been limited because of specificity of the yeast toward fatty acids having a carbon 16 or carbon 18 chain. This study focuses on sophorolipid (SL) production by the yeast Starmerella bombicola using myristic acid, a medium-chain carbon-14 fatty acid that has not been used as a substrate for SL production. The production was optimized for inoculum size and lipophilic substrate concentration. Furthermore, we also studied the effect of medium-chain fatty acid on yeast cell growth and optimized the process for excellent yield. The myristic acid SL (MASL) so synthesized consisted of mono- and diacetylated forms with preferential glycosylation at the methyl end group, as determined by high-resolution mass spectrometry. Individual congeners of the crude mixture were separated using dry column chromatography and then structurally characterized by mass spectrometry. The synthesized MASL was also shown to have promising surface tension, lowering abilities with a low CMC of 14 mg/L. The SL derived from myristic acid exhibited superior antibacterial activity as compared to SL derived from oleic acid. MASL was also found to be more potent against Gram-positive organisms as compared to Gram-negative organisms. This work, therefore, demonstrates successful synthesis of myristic acid-derived SL and its superior antibacterial activity, establishing a promising future for this biosurfactant.

}, issn = {2470-1343}, doi = {10.1021/acsomega.0c04683}, author = {Abhyankar, Isha and Sevi, Ganesh and Prabhune, Asmita A. and Nisal, Anuya and Bayatigeri, Santhakumari} } @article {47446, title = {Nanoparticles of biotite mica as Krishna Vajra Abhraka Bhasma: synthesis and characterization}, journal = {Journal of Ayurveda and Integrative Medicine }, volume = {12}, year = {2021}, month = {JUN }, pages = {269-282}, type = {Article}, abstract = {

Background

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

Objectives

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

Materials and methods

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

Results

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

}, doi = {10.1016/j.jaim.2020.09.004}, author = {Wele, Asmita and Sourav, De and Dalvi, Madhuri and Devi, Nandini and Pandit, Vijaya} } @article {47727, title = {New 1,2,3-triazole-appended bis-pyrazoles: synthesis, bioevaluation, and molecular docking}, journal = {ACS Omega}, volume = {6}, year = {2021}, month = {SEP}, pages = {24879-24890}, type = {Article}, abstract = {The present work describes design of a small library of new 1,2,3-triazole-appended bis-pyrazoles by using a molecular hybridization approach, and the synthesized hybrids were evaluated for their antifungal activity against different fungal strains, namely, Candida albicans, Cryptococcus neoformans, Candida glabrata, Candida tropicalis, Aspergillus niger, and Aspergillus fumigatus. All the compounds exhibited broad-spectrum activity against the tested fungal strains with excellent minimum inhibitory concentration values. The molecular docking study against sterol 14 alpha-demethylase (CYP51) could provide valuable insights into the binding modes and affinity of these compounds. Furthermore, these compounds were also evaluated for their antioxidant activity, which also resulted in promising data.}, issn = {2470-1343}, doi = {10.1021/acsomega.1c03734}, author = {Danne, Ashruba B. and Deshpande, V, Mukund and Sangshetti, Jaiprakash N. and Khedkar, Vijay M. and Shingate, Bapurao B.} } @article {47386, title = {NHC-catalyzed desymmetrization of N-aryl maleimides leading to the atroposelective synthesis of N-Aryl succinimides}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {MAY }, pages = {12264-12268}, type = {Article}, abstract = {

Although the construction of axially chiral C-C bonds leading to the atroposelective synthesis of biaryls and allied compounds are well-known, the related synthesis of compounds bearing axially chiral C-N bonds are relatively rare. Described herein is the N-heterocyclic carbene-catalyzed atroposelective synthesis of N-aryl succinimides having an axially chiral C-N bond via the desymmetrization of N-aryl maleimides. The NHC involved intermolecular Stetter-aldol cascade of dialdehydes with prochiral N-aryl maleimides followed by oxidation afforded N-aryl succinimides in good yields and ee values. Preliminary studies on rotation barrier for the C-N bond, the temperature dependence, and detailed DFT studies on mechanism are also provided.

}, keywords = {asymmetric catalysis, axial chirality, desymmetrization, N-heterocyclic carbenes, organocatalysis}, issn = {1433-7851}, doi = {10.1002/anie.202016938, Early Access Date = APR 2021}, author = {Barik, Soumen and Shee, Sayan and Das, Soumik and Gonnade, Rajesh G. and Jindal, Garima and Mukherjee, Subrata and Biju, Akkattu T.} } @article {47638, title = {Ni(II)-catalyzed intramolecular C-H/C-H oxidative coupling: an efficient route to functionalized cycloindolones and indenoindolones}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {OCT }, pages = {12384-12393}, type = {Article}, abstract = {Nickel(II)-catalyzed intramolecular C(sp(2))-H/C(sp(3))-H and C(sp(2))-H/C(sp(2))-H oxidative couplings in indoles are achieved via chelation assistance. These reactions provide access to biologically relevant five- and six-membered substituted cyclopentaindolones, carbazolones, and indenoindolones in high yields and good chemoselectivity employing an air-stable and defined nickel catalyst, (bpy)Ni(OAc)(2). The oxidative cyclizations proceeded either through a six-membered or an unconventional seven-membered nickelacycle. An extensive mechanistic investigation by experiments and theoretical calculations revealed a facile indole{\textquoteright}s C(2)-H nickelation and a rate-limiting reductive elimination process. This intramolecular oxidative cyclization operates via a probable Ni(II)/Ni(III) pathway involving single-electron oxidation of nickel without the participation of a carbon-based radical.}, keywords = {C-H activation, cycloindolones, indenoindolones, indoles, Mechanism, Nickel, oxidative coupling}, issn = {2155-5435}, doi = {10.1021/acscatal.1c03314}, author = {Ankade, Shidheshwar B. and Samal, Pragnya Paramita and Soni, Vineeta and Gonnade, Rajesh G. and Krishnamurty, Sailaja and Punji, Benudhar} } @article {47616, title = {Novel gene similar to nitrite reductase (NO forming) plays potentially important role in the latency of tuberculosis}, journal = {Scientific Reports}, volume = {11}, year = {2021}, month = {OCT }, pages = {19813}, type = {Article}, abstract = {The development of the latent phenotype of Mycobacterium tuberculosis (Mtb) in the human lungs is the major hurdle to eradicate Tuberculosis. We recently reported that exposure to nitrite (10 mM) for six days under in vitro aerobic conditions completely transforms the bacilli into a viable but non-cultivable phenotype. Herein, we show that nitrite (beyond 5 mM) treated Mtb produces nitric oxide (NO) within the cell in a dose-dependent manner. Our search for the conserved sequence of NO synthesizing enzyme in the bacterial system identified MRA2164 and MRA0854 genes, of which the former was found to be significantly up regulated after nitrite exposure. In addition, the purified recombinant MRA2164 protein shows significant nitrite dependent NO synthesizing activity. The knockdown of the MRA2164 gene at mRNA level expression resulted in a significantly reduced NO level compared to the wild type bacilli with a simultaneous return of its replicative capability. Therefore, this study first time reports that nitrite induces dormancy in Mtb cells through induced expression of the MRA2164 gene and productions of NO as a mechanism for maintaining non-replicative stage in Mtb. This observation could help to control the Tuberculosis disease, especially the latent phenotype of the bacilli.}, issn = {2045-2322}, doi = {10.1038/s41598-021-99346-1}, author = {Agrawal, Sonia and Gample, Suwarna and Yeware, Amar and Sarkar, Dhiman} } @article {47380, title = {One-dimensional multichannel g-C3N4.7 nanostructure realizing an efficient photocatalytic hydrogen evolution reaction and its theoretical investigations}, journal = {ACS Applied Energy Materials}, volume = {4}, year = {2021}, month = {APR }, pages = {3118-3129}, type = {Article}, abstract = {

The emerging metal-free carbon nitride (C3N4) offers prominent possibilities for realizing the highly effective hydrogen evolution reaction (HER). However, its poor surface conductivity and insufficient catalytic sites hinder the HER performance. Herein, a one-dimensional vermicular rope-like graphitic carbon nitride nanostructure is demonstrated that consists of multichannel tubular pores and high nitrogen content, which is fabricated through a cost-effective approach having the final stoichiometry g-C3N4.7 for HER application. The present g-C3N4.7 is unique owing to the presence of abundant channels for the diffusion process, modulated surface chemistry with rich- electroactive sites from N-electron lone pairs, greatly reduced recombination rate of photoexcited exciton pairs, and a high donor concentration (4.26 x 10(17) cm(3)). The catalyst offers a visible-light-driven photocatalytic H-2 evolution rate as high as 4910 mu mol h(-1)g(-1) with an apparent quantum yield of 14.07\% at band gap absorption (2.59 eV, 479 nm) under 7.68 mW cm(-2) illumination. The number of hydrogen gas molecules produced is 1.307 x 10(15) s(-1) cm(-2), which remained constant for a minimum of 18 h of repeated cycling in the HER without any degradation of the catalyst. In density functional theory calculations, a significant change in the band offset is observed due to N doping into the system in favor of electron catalysis. The theoretical band gap of a monolayer of g-C3N4.7 was enormously reduced because of the presence of additional densities of states from the doped N atom inside the band gap. These impurity or donor bands are formed inside the band gap region, which ultimately enhance the hydrogen ion reduction reaction enormously.

}, keywords = {carbon nitride, Density functional theory, hydrogen evolution reaction, nitrogen-rich, Photocatalyst}, issn = {2574-0962}, doi = {10.1021/acsaem.0c02858}, author = {Antil, Bindu and Kumar, Lakshya and Ranjan, Ravi and Shenoy, Sulakshana and Tarafder, Kartick and Gopinath, Chinnakonda S. and Deka, Sasanka} } @article {47116, title = {One-pot cascade conversion of renewable furfural to levulinic acid over a bifunctional H3PW12O40SiO2 catalyst in the absence of external H-2}, journal = {Energy \& Fuels}, volume = {35}, year = {2021}, month = {JAN }, pages = {539-545}, type = {Article}, abstract = {

The conversion of biomass-derived furfural (FUR) to levulinic acid (LA), a versatile platform chemical, involves catalytic hydrogenation of FUR followed by acid hydrolysis to LA. However, this two-step process demands expensive separation and purification of the furfuryl alcohol (FAL) intermediate. Herein, we demonstrate an ingenious catalytic strategy for the one-pot cascade conversion of FUR to LA over a bifunctional catalyst without using pure external H-2. Isopropyl alcohol (IPA) served a dual role as a hydrogen donor and solvent while inhibiting the side reactions. Catalysts with a tunable surface area and acidity were synthesized by impregnating different percentages of H3PW12O40 (heteropolyacid) over a SiO2 support. The bifunctionality of the H3PW12O40/SiO2 catalyst is ascribed to the mutual coexistence of Lewis and Brvinsted acid sites. The Lewis acid sites imparted by active W metal sites adsorb hydrogen proton for catalytic transfer hydrogenation of FUR to FAL, while the predominant Brvinsted acid sites catalyze the hydrolysis of FAL to LA. Consequently, H3PW12O40/SiO2 revealed to be a potential catalyst producing an similar to 51\% LA yield under optimized reaction conditions. Moreover, the catalyst was found to be reusable for three catalytic cycles. This study paves the way to develop future biorefinery, particularly direct conversion of FUR to LA over a bifunctional catalyst with a liquid H-donor, in an environmentally benign manner and comply with the green chemistry principles.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.0c03326}, author = {Nandiwale, Kakasaheb Y. and Vishwakarma, Mona and Rathod, Simmy and Simakova, Irina and Bokade, Vijay V.} } @inbook {47815, title = {Online tools and antiviral databases for the development of drugs against coronaviruses}, booktitle = {In Silico Modeling of Drugs Against Coronaviruses: Computational Tools and Protocols}, year = {2021}, pages = {717{\textendash}734}, publisher = {Springer US}, organization = {Springer US}, address = {New York, NY}, abstract = {The current crisis of coronavirus pandemic has created an urgent need for readily available scientific information to the researchers, students, professionals, and journalists. The scientific information for the research is costly, and most of the universities and research institutes cannot afford to subscribe to all the coronavirus-related journals/articles during this crisis time. In order to expedite the process of vaccine development and discovery of anti-COVID drugs, most of the pharmaceutical companies, research institutes and publishers are playing a key role and working on war footing to get either a vaccine or an anti-COVID drug as early as possible. The collective efforts are required from everyone in this testing time of the corona crisis. To provide our contribution to the scientific community, we have made here an attempt to give an overview of some of the tools and resources freely available that probably provide some insights in data mining and screening of novel lead molecules toward coronavirus. We have collected and compiled the information of open access online tools and antiviral databases essential for the discovery and development of corona vaccine and anti-COVID drugs. The open access tools include Open Educational Resources (OERs), Google cloud, online prediction server, web-based viewer, etc., while the antiviral databases include libraries of synthetic and untested compounds, antiviral drug databases, antiviral peptides, etc. The information presented in this chapter will help the researchers to use them directly in their projects of coronavirus drug discovery.}, isbn = {978-1-0716-1366-5}, doi = {10.1007/7653_2020_48}, url = {https://doi.org/10.1007/7653_2020_48}, author = {Aher, Rahul Balasaheb and Sarkar, Dhiman}, editor = {Roy, Kunal} } @article {47068, title = {Operando generated ordered heterogeneous catalyst for the selective conversion of CO2 to methanol}, journal = {ACS Energy Letters}, volume = {6}, year = {2021}, month = {FEB }, pages = {509-516}, type = {Article}, abstract = {

The discovery of new materials for efficient transformation of carbon dioxide (CO2) into desired fuel can revolutionize large-scale renewable energy storage and mitigate environmental damage due to carbon emissions. In this work, we discovered an operando generated stable Ni-In kinetic phase that selectively converts CO2 to methanol (CTM) at low pressure compared to the state-of-the-art materials. The catalytic nature of a well-known methanation catalyst, nickel, has been tuned with the introduction of inactive indium, which enhances the CTM process. The remarkable change in the mechanistic pathways toward methanol production has been mapped by operando diffuse reflectance infrared Fourier transform spectroscopy analysis, corroborated by first-principles calculations. The ordered arrangement and pronounced electronegativity difference between metals are attributed to the complete shift in mechanism. The approach and findings of this work provide a unique advance toward the next-generation catalyst discovery for going beyond the state-of-the-art in CO2 reduction technologies.

}, issn = {2380-8195}, doi = {10.1021/acsenergylett.0c02614}, author = {Cherevotan, Arjun and Raj, Jithu and Dheer, Lakshay and Roy, Soumyabrata and Sarkar, Shreya and Das, Risov and Vinod, Chathakudath P. and Xu, Shaojun and Wells, Peter and Waghmare, V, Umesh and Peter, Sebastian C.} } @article {47409, title = {Orc4 spatiotemporally stabilizes centromeric chromatin}, journal = {Genome Research}, volume = {31}, year = {2021}, month = {APR}, pages = {607-621}, type = {Article}, abstract = {

The establishment of centromeric chromatin and its propagation by the centromere-specific histone CENPA is mediated by epigenetic mechanisms in most eukaryotes. DNA replication origins, origin binding proteins, and replication timing of centromere DNA are important determinants of centromere function. The epigenetically regulated regional centromeres in the budding yeast Candida albicans have unique DNA sequences that replicate earliest in every chromosome and are clustered throughout the cell cycle. In this study, the genome-wide occupancy of the replication initiation protein Orc4 reveals its abundance at all centromeres in C. albicans. Orc4 is associated with four different DNA sequence motifs, one of which coincides with tRNA genes (tDNA) that replicate early and cluster together in space. Hi-C combined with genome-wide replication timing analyses identify that early replicating Orc4-bound regions interact with themselves stronger than with late replicating Orc4-bound regions. We simulate a polymer model of chromosomes of C. albicans and propose that the early replicating and highly enriched Orc4-bound sites preferentially localize around the clustered kinetochores. We also observe that Orc4 is constitutively localized to centromeres, and both Orc4 and the helicase Mcm2 are essential for cell viability and CENPA stability in C. albicans. Finally, we show that new molecules of CENPA are recruited to centromeres during late anaphase/telophase, which coincides with the stage at which the CENPA-specific chaperone Scm3 localizes to the kinetochore. We propose that the spatiotemporal localization of Orc4 within the nucleus, in collaboration with Mcm2 and Scm3, maintains centromeric chromatin stability and CENPA recruitment in C. albicans.

}, issn = {1088-9051}, doi = {10.1101/gr.265900.120}, author = {Sreekumar, Lakshmi and Kumari, Kiran and Guin, Krishnendu and Bakshi, Asif and Varshney, Neha and Thimmappa, Bhagya C. and Narlikar, Leelavati and Padinhateeri, Ranjith and Siddharthan, Rahul and Sanyal, Kaustuv} } @article {47742, title = {Organic-inorganic perovskitoid with zwitterion cysteamine linker and its crystal-crystal transformation to ruddlesden-popper phase}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {AUG }, pages = {18750-18760}, type = {Article}, abstract = {We demonstrate synthesis of a new low-D hybrid perovskitoid (a perovskite-like hybrid halide structure, yellow crystals, P21/n space group) using zwitterion cysteamine (2-aminoethanethiol) linker, and its remarkable molecular diffusion-controlled crystal-to-crystal transformation to Ruddlesden-Popper phase (Red crystals, Pnma space group). Our stable intermediate perovskitoid distinctly differs from all previous reports by way of a unique staggered arrangement of holes in the puckered 2D configuration with a face-sharing connection between the corrugated-1D double chains. The PL intensity for the yellow phase is 5 orders higher as compared to the red phase and the corresponding average lifetime is also fairly long (143 ns). First principles DFT calculations conform very well with the experimental band gap data. We demonstrate applicability of the new perovskitoid yellow phase as an excellent active layer in a self-powered photodetector and for selective detection of Ni2+ via On-Off-On photoluminescence (PL) based on its composite with few-layer black phosphorous.}, keywords = {Crystal growth, organic-inorganic hybrid composites, perovskite phases, photodetectors, zwitterions}, issn = {1433-7851}, doi = {10.1002/anie.202105918}, author = {Kour, Prachi and Reddy, Mallu Chenna and Pal, Shiv and Sidhik, Siraj and Das, Tisita and Pandey, Padmini and Mukherjee, Shatabdi Porel and Chakraborty, Sudip and Mohite, Aditya D. and Ogale, Satishchandra} } @article {47749, title = {On the origin of controlled anisotropic growth of monodisperse gold nanobipyramids}, journal = {Nanoscale}, volume = {13}, year = {2021}, month = {SEP}, pages = {15292-15300}, type = {Article}, abstract = {We elucidate the crucial role of the cetyl trimethylammonium bromide (CTAB) surfactant in the anisotropic growth mechanism of gold nano-bipyramids, nano-objects with remarkable optical properties and high tunability. Atomistic molecular dynamics simulations predict different surface coverages of the CTAB (positively charged) heads and their (bromide) counterions as function of the gold exposed surfaces. High concentration of CTAB surfactant promotes formation of gold nanograins in solution that work as precursors for the smooth anisotropic growth of more elongated nano-bipyramidal objects. Nanobipyramids feature higher index facets with respect to nanorods, allowing higher CTAB coverages that stabilize their formation and leading to narrower inter-micelles channels that smooth down their anisotropic growth. Absorption spectroscopy and scanning electron microscopy confirmed the formation of nanograins and demonstrated the importance of surfactant concentration on driving the growth towards nano-bipyramids rather than nanorods. The outcome explains the formation of the monodisperse bipyramidal nano-objects, the origin of their controlled shapes and sizes along with their remarkable stability.}, issn = {2040-3364}, doi = {10.1039/d1nr01768c}, author = {Meena, Santosh Kumar and Lerouge, Frederic and Baldeck, Patrice and Andraud, Chantal and Garavelli, Marco and Parola, Stephane and Sulpizi, Marialore and Rivalta, Ivan} } @article {47080, title = {Oxidative radical-mediated addition of ethers to quinone imine ketals: an access to hemiaminals}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {FEB }, pages = {2107-2116}, type = {Article}, abstract = {

The highly regioselective synthesis of substituted hemiaminal via addition of ethers to quinone imine ketals (QIKs) has been developed under metal-free conditions. In the presence of tetrabutylammonium chloride and potassium persulfate (K2S2O8), QIKs couple efficiently with cyclic and acyclic ethers to give hemiaminals. This strategy offers an easy access to substituted hemiaminal ethers with high functional group tolerance in good to excellent yields.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c02254}, author = {More, Satish G. and Kamble, Rohit B. and Suryavanshi, Gurunath} } @article {47461, title = {Oxidative stress induced by piperine leads to apoptosis in Candida albicans}, journal = {Medical Mycology}, volume = {59}, year = {2021}, month = {APR}, pages = {366-378}, type = {Article}, abstract = {

Candida albicans is a member of pathogens with potential drug resistance threat that needs novel chemotherapeutic strategies. Considering the multifarious biological activities including bioenhancer activity, anti-Candida potential of piperine was evaluated against planktonic/biofilm and hyphal growth of C. albicans alone or in combination as a synergistic agent with fluconazole. Piperine inhibits planktonic growth at or less than 15 mu g/ml, hyphae induction at 5 mu g/ml concentration, and exhibits stage-dependent activity against biofilm growth of a fluconazole-resistant strain of C. albicans (ATCC10231). Though piperine couldn{\textquoteright}t kill inoculum completely at minimum inhibitory concentration (MIC), it is fungicidal at higher concentrations, as shown in apoptosis assay. FIC index values indicate that piperine exhibits excellent synergistic activity with fluconazole against planktonic (0.123) and biofilm (0.215) growth of an FLC resistant strain. Mode of anti-Candida activity was studied by identifying piperine responsive proteins wherein the abundance of 25 proteins involved in stress response, signal transduction and cell cycle were modulated (22 up and 3 downregulated) significantly in response to piperine (MIC50). Modulation of the proteins involved suggests that piperine affectsmembrane integrity leading to oxidative stress followed by cell cycle arrest and apoptosis in C. albicans. Flow cytometry-basedmitochondrialmembrane potential (MMP), cell cycle and apoptosis assay, as well as real-time quantitative polymerase chain reaction analysis of selected genes, confirms piperine induced oxidative stress (TRR1), cell cycle arrest and apoptosis (CaMCA1). Based on our results, we conclude that piperine inhibits planktonic and difficult-to treat-biofilm growth of C. albicans by affecting membrane integrity thereby inducing oxidative stress and apoptosis. Lay Abstract Piperine inhibit Candida albicans growth (planktonic and biofilm) significantly in our study. Piperine exhibits excellent synergistic potential with fluconazole The proteome analysis suggests that piperine induced membrane damage leads to oxidative stress followed by cell cycle arrest and apoptosis.

}, keywords = {Apoptosis, C. albicans, drug resistance, piperine, proteomics, synergy}, issn = {1369-3786}, doi = {10.1093/mmy/myaa058}, author = {Thakre, Archana and Jadhav, Vyankatesh and Kazi, Rubina and Shelar, Amruta and Patil, Rajendra and Kharat, Kiran and Zore, Gajanan and Karuppayil, S. Mohan} } @article {47698, title = {Ozone assisted autohydrolysis of wheat bran enhances xylooligosaccharide production with low generation of inhibitor compounds: a comparative study}, journal = {Bioresource Technology}, volume = {338}, year = {2021}, month = {OCT}, pages = {125559}, type = {Article}, abstract = {In the present study, ozone assisted autohydrolysis (OAAH) was evaluated for enhanced generation of xylooligosaccharide (XOS) from wheat bran. The total XOS yield with optimum ozone dose of 3\% (OAAH-3) was found to be 8.9\% (w/w biomass) at 110 degrees C in comparison to 7.96\% at 170 degrees C by autohydrolysis (AH) alone. Although, there was no significant difference in oligomeric composition (DP 2-6), significant decrease in degradation products namely furfural (2.78-fold), HMF (3.15-fold), acrylamide (nil) and acetic acid (1.06-fold), was observed with OAAH-3 as a pretreatment option. There was 1-fold higher xylan to XOS conversion and OAAH-hydrolysate had higher DPPH radical scavenging activity than AH. PCA plots indicated clear enhancement in XOS production and lower generation of inhibitors with decrease in treatment temperature. Results of the study therefore suggest OAAH can be an effective pretreatment option that can further be integrated with downstream processing for concentration and purification of XOS.}, keywords = {Advanced oxidation, Agro-industry waste, hydrothermal treatment, Ozonolysis, Xylooligosaccharide}, issn = {0960-8524}, doi = {10.1016/j.biortech.2021.125559}, author = {Sonkar, Rutuja Murlidhar and Gade, Pravin Savata and Bokade, Vijay and Mudliar, Sandeep N. and Bhatt, Praveena} } @article {47725, title = {PdP/WO3 multi-functional catalyst with high activity and stability for direct liquid fuel cells (DLFCs)}, journal = {Sustainable Energy \& Fuels}, volume = {5}, year = {2021}, month = {SEP}, pages = {4758-4770}, type = {Article}, abstract = {Direct liquid fuel cells are energy conversion devices which utilize formate and methanol as fuels. These systems are relieved of the problem of H-2 transport and storage, making them highly desirable for various practical applications. However, the low stability and activity of carbon supported catalysts such as Pt/C both in the anode and cathode is a critical hindering factor towards their further development. As a practical solution to overcome this issue, in this work, we report on the development of phosphorus-doped palladium (PdP) nanoparticle-supported tungsten oxide (WO3) nanorods (PdP/WO3) as a versatile multifunctional catalyst for facilitating the oxidation of formate and methanol in the anode and the oxygen reduction reaction (ORR) in the cathode. Strong metal-support interactions and electronic modifications incurred by the doped phosphorus help this system to achieve desirable properties to enable it to effectively function both for the anode and cathode applications. PdP/WO3 showed 16-times higher mass activity compared to Pt/C even after 3000 start/stop cycles for the ORR. For formate and methanol oxidation, PdP/WO3 exhibited current densities of 0.50 and 0.734 A mg(Pd)(-1), respectively, outperforming the state-of-the-art catalysts. With these bifunctional features, PdP/WO3 stands out as a potential system to be used as an anode and cathode catalyst in direct liquid fuel cells, all the while offering an opportunity for the development of carbon-free electrocatalysts.}, issn = {2398-4902}, doi = {10.1039/d1se00584g}, author = {Kumar, Sachin and Soni, Roby and Kurungot, Sreekumar} } @article {47583, title = {PEGylated ethyl cellulose micelles as a nanocarrier for drug delivery}, journal = {RSC Advances}, volume = {11}, year = {2021}, month = {NOV }, pages = {30532-30543}, type = {Article}, abstract = {Natural polymers provide a better alternative to synthetic polymers in the domain of drug delivery systems (DDSs) because of their renewability, biocompatibility, and low immunogenicity; therefore, they are being studied for the development of bulk/nanoformulations. Likewise, current methods for engineering natural polymers into micelles are in their infancy, and in-depth studies are required using natural polymers as controlled DDSs. Accordingly, in our present study, a new micellar DDS was synthesized using ethyl cellulose (EC) grafted with polyethylene glycol (PEG); it was characterized, its properties, cell toxicity, and hemocompatibility were evaluated, and its drug release kinetics were demonstrated using doxorubicin (DOX) as a model drug. Briefly, EC was grafted with PEG to form the amphiphilic copolymers EC-PEG1 and EC-PEG2 with varying PEG concentrations, and nano-micelles were prepared with and without the drug (DOX) via a dialysis method; the critical micelle concentrations (CMCs) were recorded to be 0.03 mg mL(-1) and 0.00193 mg mL(-1) for EC-PEG1 and EC-PEG2, respectively. The physicochemical properties of the respective nano-micelles were evaluated via various characterization techniques. The morphologies of the nano-micelles were analyzed via transmission electron microscopy (TEM), and the average size of the nano-micelles was recorded to be similar to 80 nm. In vitro, drug release studies were done for 48 h, where 100\% DOX release was recorded at pH 5.5 and 52\% DOX release was recorded at pH 7.4 from the micelles. In addition, cytotoxicity studies suggested that DOX-loaded micelles were potent in killing MDA-MB-231 and MCF-7 cancer cells, and the blank micelles were non-toxic toward cancerous and normal cells. A cellular uptake study via fluorescence microscopy indicated the internalization of DOX-loaded micelles by cancer cells, delivering the DOX into the cellular compartments. Based on these studies, we concluded that the developed material should be studied further via in vivo studies to understand its potential as a controlled DDS to treat cancer.}, doi = {10.1039/d1ra04242d}, author = {Singam, Amarnath and Killi, Naresh and Patel, Pratikshkumar R. and Gundloori, Rathna V. N.} } @inbook {47436, title = {Perspective on perovskite solar cells}, booktitle = {New Research Directions in Solar Energy Technologies}, year = {2021}, pages = {55-151}, publisher = {Springer}, organization = {Springer}, doi = {10.1007/978-981-16-0594-9_4}, author = {Bhaumik, Saikat and Saha, Sudip K. and Rath, Arup K.} } @article {46985, title = {Pharmacophore modeling of pretomanid (PA-824) derivatives for antitubercular potency against replicating and non-replicating Mycobacterium tuberculosis}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {39}, year = {2021}, month = {FEB}, pages = {889-900}, type = {Article}, abstract = {

Pretomanid (PA-824) is the recently (2019) approved drug for the treatment of extensively drug-resistant (XDR) TB and the multidrug-resistant (MDR) TB by US FDA. The experimental data of antitubercular activity of 543 pretomanid derivatives (total 6 datasets) against replicating (active) and non-replicating (dormant) forms of Mycobacterium tuberculosis (strain H37Rv) are available in the literature. Such vast experimental data of pretomanid derivatives against both of these endpoints, and recent approval of pretomanid molecule as a drug encouraged us to utilize this existing experimental information for the development of the 3D-pharmacophore models. The developed model (Hypo-1, MABA) showed the three physicochemical features namely, the oxygen atom of nitro group (HBA_1), fused pyran ring of imidazopyran heterocycle (HYAl_2) and the 4-fluorophenyl moiety (HYAr_3) are crucial for the antitubercular activity against replicating M. tb. Subsequently, the pharmacophore model (Hypo-1, LORA) developed against the non-replicating form of M. tb also showed the contribution of three physicochemical features namely, the 4-tri-fluoromethyl group (HYAl_2) and both the phenyl groups (HYAr_3, HYAr_4) of biaryl moiety in increasing the antitubercular activity. Both the pharmacophoric classifier models showed the classification accuracies of 82.98 and 74.42\% for the training set compounds, and 63.91 and 61.60\% for the test set compounds respectively, for labelling the compounds into higher and lower active classes. Both the models were also found to be retaining the higher active compounds in top 1.00\% of the total number of compounds (decoys and actives), after performing the decoy set screening. Communicated by Ramaswamy H. Sarma

}, keywords = {LORA assay, MABA assay, Mycobacterium tuberculosis, non-replicating M, pharmacophore modeling, pretomanid derivatives, replicating M, tuberculosis, virtual screening}, issn = {0739-1102}, doi = {10.1080/07391102.2020.1719205, Early Access Date = JAN 2020}, author = {Aher, Rahul Balasaheb and Sarkar, Dhiman} } @article {47329, title = {Pharmacore maping based on docking, ADME/toxicity, virtual screening on 3,5-dimethyl-1,3,4-hexanetriol and dodecanoic acid derivates for anticancer inhibitors}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {39}, year = {2021}, month = {JAN}, pages = {4490-4500}, type = {Article}, abstract = {

Plants produced natural generating products play a significant role in drug discovery of new bioactive compounds and these are used for advancement of innovative curative drugs for specific target health diseases. In this study Docking and ADME/T virtual screening method are apply for in drug discovery and can be divided into ligand- and target structure-based. The aim of this study was to analyze theDecalepis hamiltoniiisolated compounds by using the evaluation of molecular docking and virtual screening of anticancer drugs. MOE docking ADME/Toxicity and virtual screening approaches. A docking energy -12.97 kcal/mol; -9.93- kcal/mol on cancer responsible protein was targeted. Further, the compounds were filtered through the rule of five, ADME/Toxicity risk and synthetic accessibility. The active compound were then docked to recognize the possible target binding pocket to obtain a set of a ligand poses and to prioritize the predicted active compounds. The scrutinize compounds, as well as their metabolites were evaluated for different pharmacokinetics parameter such as ADME/Toxicity. Therefore, the result shows that a large number of compounds were found to be ADME/toxicity positive to be a positive drug molecule against cancer, selected compounds under study satisfies parameters for ADME and Toxicity properties. The present study demonstrate to identifying the novel structures which are having similar structural feature with like activity with respect to the compounds 3,5-Dimethyl-1,3,4-Hexanetriol and Dodecanoic acid that are shown best binding energy with the receptors 4igk and 4b3z respectively. This study may provide significant clues for discovery novel drug inhibitors for cancer properties.

}, keywords = {ADME, Decalepis hamiltonii, docking, drug discovery, Toxicity, virtual screening}, issn = {0739-1102}, doi = {10.1080/07391102.2020.1778533}, author = {Prakash, Palanisamy and Vijayasarathi, Durairaj and Selvam, Kuppusamy and Karthi, Sengodan and Manivasagaperumal, Rengarajan} } @article {47061, title = {Photoactivatable prodrug for simultaneous release of mertansine and CO along with a BODIPY derivative as a luminescent marker in mitochondria: a proof of concept for NIR image-guided cancer therapy}, journal = {Chemical Science}, volume = {12}, year = {2021}, month = {FEB}, pages = {2667-2673}, type = {Article}, abstract = {

Controlled and efficient activation is the crucial aspect of designing an effective prodrug. Herein we demonstrate a proof of concept for a light activatable prodrug with desired organelle specificity. Mertansine, a benzoansamacrolide, is an efficient microtubule-targeting compound that binds at or near the vinblastine-binding site in the mitochondrial region to induce mitotic arrest and cell death through apoptosis. Despite its efficacy even in the nanomolar level, this has failed in stage 2 of human clinical trials owing to the lack of drug specificity and the deleterious systemic toxicity. To get around this problem, a recent trend is to develop an antibody-conjugatable maytansinoid with improved tumor/organelle-specificity and lesser systematic toxicity. Endogenous CO is recognized as a regulator of cellular function and for its obligatory role in cell apoptosis. CO blocks the proliferation of cancer cells and effector T cells, and the primary target is reported to be the mitochondria. We report herein a new mitochondria-specific prodrug conjugate (Pro-DC) that undergoes a photocleavage reaction on irradiation with a 400 nm source (1.0 mW cm(-2)) to induce a simultaneous release of the therapeutic components mertansine and CO along with a BODIPY derivative (BODIPY(PPH3)(2)) as a luminescent marker in the mitochondrial matrix. The efficacy of the process is demonstrated using MCF-7 cells and could effectively be visualized by probing the intracellular luminescence of BODIPY(PPH3)(2). This provides a proof-of-concept for designing a prodrug for image-guided combination therapy for mainstream treatment of cancer.

}, issn = {2041-6520}, doi = {10.1039/d0sc06270g}, author = {Tiwari, Rajeshwari and Shinde, Prashant S. and Sreedharan, Sreejesh and Dey, Anik Kumar and Vallis, Katherine A. and Mhaske, Santosh B. and Pramanik, Sumit kumar and Das, Amitava} } @article {47832, title = {Physicochemical and in vitro antibacterial evaluation of metronidazole loaded eudragit S-100 nanofibrous mats for the intestinal drug delivery}, journal = {Advanced Fiber Materials}, volume = {4}, year = {2021}, month = {AUG}, pages = {76-88}, type = {Article}, abstract = {

Metronidazole (MTZ) loaded Eudragit S-100 (ES-100) nonwoven nanofibrous mats were successfully electrospun and evaluated for intestinal drug delivery. MTZ was varied in the range of 1{\textendash}15\% (w/w) in ES-100 nanofibrous mats, the morphological characterization of nanofibrous mats was carried out using FE-SEM and the average diameter of nanofiber was found in the range 150{\textendash}600\ nm. WAXD and DSC demonstrated the amorphous nature of MTZ in ES-100 nanofibrous mats. Their contact angle analysis confirmed the hydrophobic nature. The mechanical strength of ES-100 nanofibrous mats decreased with increasing MTZ concentration. The drug release profiles showed 74\% MTZ release from ES-100d within 2\ h at pH 6.8 which is the colonic environment. Antibacterial activities against gram-positive bacteria (Staphylococcus aureus) and gram-negative bacteria (Escherichia coli) showed that the ES-100 nanofibrous mats loaded with MTZ exhibited good activity.

}, isbn = {2524-793X}, doi = {10.1007/s42765-021-00090-y}, author = {Rade, Priyanka P. and Giram, Prabhanjan S. and Shitole, Ajinkya A. and Sharma, Neeti and Garnaik, Baijayantimala} } @article {47718, title = {PINIR: a comprehensive information resource for Pin-II type protease inhibitors}, journal = {BMC Plant Biology}, volume = {21}, year = {2021}, month = {JUN }, pages = {267}, type = {Article}, abstract = {Background: Serine protease inhibitors belonging to the Potato type-II Inhibitor family Protease Inhibitors (Pin-II type PIs) are essential plant defense molecules. They are characterized by multiple inhibitory repeat domains, conserved disulfide bond pattern, and a tripeptide reactive center loop. These features of Pin-II type PIs make them potential molecules for protein engineering and designing inhibitors for agricultural and therapeutic applications. However, the diversity in these PIs remains unexplored due to the lack of annotated protein sequences and their functional attributes in the available databases. Results: We have developed a database, PINIR (Pin-II type PIs Information Resource), by systematic collection and manual annotation of 415 Pin-II type PI protein sequences. For each PI, the number and position for signature sequences are specified: 695 domains, 75 linkers, 63 reactive center loops, and 10 disulfide bond patterns are identified and mapped. Database analysis revealed novel subcategories of PIs, species-correlated occurrence of inhibitory domains, reactive center loops, and disulfide bond patterns. By analyzing linker regions, we predict that alternative processing at linker regions could generate PI variants in the Solanaceae family. Conclusion: PINIR (https://pinir.ncl.res.in) provides a web interface for browsing and analyzing the protein sequences of Pin-II type PIs. Information about signature sequences, spatio-temporal expression, biochemical properties, gene sequences, and literature references are provided. Analysis of PINIR depicts conserved species-specific features of Pin-II type PI protein sequences. Diversity in the sequence of inhibitory domains and reactive loops directs potential applications to engineer Pin-II type PIs. The PINIR database will serve as a comprehensive information resource for further research into Pin-II type PIs.}, keywords = {annotation, Data analysis, Database, Knowledge representation, Pin-II type protease inhibitor, Protein sequence analysis}, issn = {1471-2229}, doi = {10.1186/s12870-021-03027-0}, author = {Yadav, Nikhilesh K. and Saikhedkar, Nidhi S. and Giri, Ashok P.} } @article {47376, title = {Polyaryletherketone in energy conversion and storage devices - a highly tailorable material with versatile properties}, journal = {Polymer International}, volume = {70}, year = {2021}, month = {AUG}, pages = {1026-1037}, type = {Review}, abstract = {

Polymers have been a highly useful class of material for the last few decades owing to their ease of bulk production and fabrication. With the myriad of applications in day to day life, they have also found an important role in energy conversion and storage devices, not just as a housing material of the device but with an important role in the energy conversion process. Among the several polymers used in this area, polyaryletherketones (PAEKs) are one of the most versatile materials owing to their easy tailorability. The ether and ketone groups can be introduced in the main polymer chain in several ways to achieve the desired material properties. The main role of a polymer in an energy conversion device is that of a barrier to avoid the mixing of reactants and to selectively transport ions from one electrode to the other to maintain charge neutrality. The polymer membrane finds application in various electrochemical energy conversion devices such as fuel cells, lithium ion batteries, redox flow batteries, supercapacitors etc. The main focus of this work is to briefly review the extent of development in the PAEKs in various energy conversion and storage devices. (c) 2021 Society of Industrial Chemistry.

}, keywords = {electrolyte membrane, energy conversion and storage, fuel cells, lithium ion batteries, redox flow batteries, separator}, issn = {0959-8103}, doi = {10.1002/pi.6233, Early Access Date = APR 2021}, author = {Feroze Gooty Saleha, Wasim and Nalajala, Naresh and Neergat, Manoj} } @inbook {47818, title = {Polymer graphene-based nanofibers and their application for batteries}, booktitle = {Electrospinning of Graphene}, year = {2021}, pages = {119-148}, abstract = {Polymer graphene-based nanofibers are increasingly used in energy storage devices, especially in lithium-ion batteries and thus attracting more and more industrial and academic research in material chemistry. Metal-doped graphene-based polymer nanofibers are now gaining much attention and recently are successfully used in related energy storage devices, including supercapacitors and more. This chapter primarily focuses on a brief of nanofibers, electrospinning and graphene followed by the review of polymer graphene-based nanofibers in the present scenario. }, isbn = {978-3-030-75455-6}, doi = {10.1007/978-3-030-75456-3_5}, author = {Mishra, Sasmita and Singh, Sandip and Singh, Ajeet} } @article {47378, title = {Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies}, journal = {CrystEngComm}, volume = {23}, year = {2021}, month = {JUN}, pages = {3961-3974}, type = {Article}, abstract = {

Erlotinib, a non-small cell lung cancer BCS class II drug, was found to occur as two polymorphs and two hydrates depending on the crystallization conditions. The monohydrate (form III), which has been reported in patents and publications, is the preferred crystalline phase from solution crystallization. The other forms (polymorphs, forms I and II, and a trihydrate, form IV) are solvent and condition-specific. Form I was exclusively and reproducibly obtained from dried non-polar solvents (viz. toluene, benzene, and xylene) using a solution crystallization method under controlled conditions. In contrast, form II was obtained by the rotary evaporation technique under reduced pressure from polar solvents (viz. dichloromethane, ethyl acetate, acetone, and acetonitrile). Slow evaporation from polar and non-polar solvents under open conditions yielded form III crystals, whereas evaporation from acetone-acetonitrile-water mixtures yielded form IV crystals. DSC and variable temperature PXRD studies revealed form I to be the most stable phase while the other solid forms displayed thermally induced polymorphic transitions into form I crystals. Further, form I and form III are found to be stable over the 30-90\% RH range. Further, form I displayed solution-mediated transformation into form III (monohydrate) when left to stand in the mother liquor for a longer duration (1-2 days). Similarly, the unstable form IV crystals transformed into the stable form III crystals within 1-2 h when exposed to an open atmosphere. Fast crystallization from polar solvents using the rotary evaporation technique enabled us to capture the metastable polymorph, form II. Early separation of form I from its mother liquor prevented its solution-mediated transformation into the monohydrate, form III. The water activity study revealed that form III is the most preferred solid phase in the presence of water. Dissolution rate measurements showed that the rate of form II is almost comparable to that of the marketed erlotinib hydrochloride. In contrast, for the other forms, the dissolution profiles showed a considerable decrease. Although the crystal structures of form I and form III have been published previously, this manuscript gives a comprehensive overview of the free base solid forms of erlotinib, the phase transitions amongst them and their biopharmaceutical properties.

}, doi = {10.1039/d1ce00032b, Early Access Date = APR 2021}, author = {Thorat, Shridhar H. and George, Christy P. and Shaligram, Parth S. and Suresha, P. R. and Gonnade, Rajesh G.} } @article {47134, title = {Probiotics in the prophylaxis of COVID-19: something is better than nothing}, journal = {3 Biotech}, volume = {11}, year = {2021}, month = {JAN}, type = {Review}, abstract = {

The new viral pandemic of COVID-19 is caused by a novel coronavirus (SARS-CoV-2) that has brought the world at another unprecedented crisis in terms of health and economy. The lack of specific therapeutics necessitates other strategies to prevent the spread of infection caused by this previously unknown viral etiological agent. Recent pieces of evidence have shown an association between COVID-19 disease and intestinal dysbiosis. Probiotics comprise living microbes that upon oral administration benefit human health by reshaping the composition of gut microbiota. The close kinship of the gastrointestinal and respiratory tract suggests why the dysfunction of one may incite illness in others. The emerging studies suggest the capability of probiotics to regulate immune responses in the respiratory system. The efficacy of probiotics has been studied previously on several respiratory tract viral infections. Therefore, the purpose of this review is to comprehend existing information on the gut mediated-pulmonary immunity conferred by probiotic bacteria, in the course of respiratory virus infections and administration as a prophylactic measure in COVID-19 pandemic in managing intestinal dysbiosis as well.

}, keywords = {Anti-viral, COVID-19, Gut-lung axis, Probiotics, Respiratory tract infection}, issn = {2190-572X}, doi = {10.1007/s13205-020-02554-1}, author = {Gohil, Kushal and Samson, Rachel and Dastager, Syed and Dharne, Mahesh} } @article {47360, title = {Process-induced microstructure in viscose and lyocell regenerated cellulose fibers revealed by SAXS and SEM of acid-etched samples}, journal = {ACS Applied Polymer Materials}, volume = {3}, year = {2021}, month = {MAY }, pages = {2598-2607}, type = {Article}, abstract = {

Regenerated cellulose fibers represent an important class of bioderived commercial fibers. The traditional viscose process requires the use of environmentally harmful carbon disulfide solvent to produce fibers. Lyocell fibers, produced using a more sustainable recent process, exhibit differences in properties from viscose. These differences arise from their semicrystalline microstructure, formed during fiber spinning. It is widely believed that regenerated cellulose fibers predominantly form fringed fibrillar crystals. We optimize acid etching, followed by SEM as an experimental tool to visualize this fibrillar structure. Acid etching provides sufficient topological contrast to directly visualize similar to O(10 nm) fibrils using field-emission scanning electron microscopy (SEM). We combine SEM with small-angle X-ray scattering (SAXS) to reveal other microstructural details. We observe a Bragg peak, indicating the coexistence of stacked lamellar structure with crystalline fibrils for viscose fibers, but not for lyocell. Viscose and lyocell fibers are characterized by partially oriented semicrystalline microstructure. We present a methodology to calculate the Lorentz correction for such microstructure and employ this to analyze the lamellar scattering from viscose fibers using a 1D correlation function approach. We characterize the lamellar microstructure after swelling viscose fibers with water and observe expansion of the Bragg spacing due to water absorption in the amorphous regions. Our data suggest that the water-induced plasticization of amorphous regions is inhomogeneous. Lamellar stacks that are more misoriented from the fiber direction exhibit lower swelling than those along the fiber direction. The experimental methods described in this work reveal interesting details of semicrystalline microstructure in regenerated cellulose fibers, with important implications for the mechanical response of dry and wet fibers. The methods developed here might find use in investigations of other polymer fibers as well.

}, keywords = {acid etching, crystalline lamellae, fibers, fibrils, Lorentz correction, Regenerated cellulose, SAXS}, issn = {2637-6105}, doi = {10.1021/acsapm.1c00204}, author = {Sharma, Aakash and Wankhede, Parnashri and Samant, Roopali and Nagarkar, Shailesh and Thakre, Shirish and Kumaraswamy, Guruswamy} } @article {47050, title = {Protriptyline improves spatial memory and reduces oxidative damage by regulating NF kappa B-BDNF/CREB signaling axis in streptozotocin-induced rat model of Alzheimer{\textquoteright}s disease}, journal = {Brain Research}, volume = {1754}, year = {2021}, month = {MAR }, pages = {147261}, type = {Article}, abstract = {

Antidepressants are well known to exert their role via upregulation of brain derived neurotrophic factor (BDNF). BDNF has been reported to exerts its neuroprotective effect in rodent and primate models as well as in patients of Alzheimer{\textquoteright}s disease (AD). The aim of our study was to evaluate the effect of protriptyline (PRT), a tricyclic antidepressant, in streptozotocin (STZ)- induced rat model of AD. Total 10 mu l of STZ was injected into each ventricle (1 mg/kg). PRT (10 mg/kg, i.p.) treatment was started 3-day post STZ administration and continued till 21 days. We found that STZ treatment significantly increased pTau, A beta 42 and BACE-1 expression, oxidative stress and neurodegeneration in hippocampus and cortex of adult rats. STZ induced impairment in spatial learning and retention memory was associated with increased WO and reduced CREB and BDNF expression in cortex and hippocampus. Interestingly, PRT treatment significantly reduced pTau, A beta 42 and BACE-1 levels, neurodegeneration, oxidative stress and glial activation, contributing to the improved spatial learning and retention memory in STZ treated rats. Moreover, PRT treatment significantly improved p-ERK/ERK ratio and enhanced BDNF and CREB levels by reducing NFXB and GFAP expression in STZ treated rats. Our data suggest that impaired NFXB and CREB signaling potentially contribute in AD pathogenesis by elevating oxidative stress and neuroinflammation mediated neurodegeneration. Our study has established protriptyline as a multi target molecule in pre-clinical model of AD and further investigations on PRT like molecules could pave way for further development of effective new treatments in neurodegenerative disorders.

}, keywords = {Alzheimer{\textquoteright}s disease, antidepressant, BDNF, Memory, Oxidative stress, Protriptyline}, issn = {0006-8993}, doi = {10.1016/j.brainres.2020.147261}, author = {Tiwari, Virendra and Mishra, Akanksha and Singh, Sonu and Mishra, Sandeep Kumar and Sahu, Kiran Kumari and Parul and Kulkarni, Mahesh J. and Shukla, Rakesh and Shukla, Shubha} } @article {47655, title = {Pyridylpyrrolido ligand in Ge(II) and Sn(II) chemistry: synthesis, reactivity and catalytic application}, journal = {Dalton Transactions}, volume = {50}, year = {2021}, month = {NOV}, pages = {16678-16684}, type = {Article}, abstract = {In our previous communication, we have reported the synthesis of a new chlorogermylene (B) featuring a pyridylpyrrolido ligand. This study details the preparation of a series of new germylenes and stannylenes starting from B. A transmetallation reaction between B and SnCl2 led to the analogous chlorostannylene (1) with the simultaneous elimination of GeCl2. This is a very unusual example of transmetallation between two elements of the same group. The preparation of 1via lithiation led to the formation of 2 as a side product, where the ortho C-H bond of the pyridine ring was activated and functionalized with a Bu-n moiety. Subsequently, B and 1 were used as precursors to generate germylene (4) and stannylene (5) featuring tris(trimethylsilyl)silyl (hypersilyl) moieties. We also prepared tetrafluoropyridyl germylene (6) by reacting 4 with C5F5N with the simultaneous elimination of (Me3Si)(3)SiF by utilizing the fluoride affinity of the silicon atom. As there is scarcity of Sn(II) compounds as single-site catalysts, we investigated 5 as a catalyst towards the hydroboration of aldehydes, ketones, alkenes and alkynes. All the compounds have been characterized by single-crystal X-ray diffraction and by state of the art spectroscopic studies.}, issn = {1477-9226}, doi = {10.1039/d1dt03136h}, author = {Pahar, Sanjukta and Sharma, Vishal and Tothadi, Srinu and Sen, Sakya S.} } @article {47346, title = {Rapid and accurate nucleobase detection using FnCas9 and its application in COVID-19 diagnosis}, journal = {Biosensors \& Bioelectronics}, volume = {183}, year = {2021}, month = {JUL }, pages = {113207}, type = {Article}, abstract = {

Rapid detection of DNA/RNA pathogenic sequences or variants through point-of-care diagnostics is valuable for accelerated clinical prognosis, as witnessed during the recent COVID-19 outbreak. Traditional methods relying on qPCR or sequencing are tough to implement with limited resources, necessitating the development of accurate and robust alternative strategies. Here, we report FnCas9 Editor Linked Uniform Detection Assay (FELUDA) that utilizes a direct Cas9 based enzymatic readout for detecting nucleobase and nucleotide sequences without transcleavage of reporter molecules. We also demonstrate that FELUDA is 100\% accurate in detecting single nucleotide variants (SNVs), including heterozygous carriers, and present a simple web-tool JATAYU to aid end-users. FELUDA is semi-quantitative, can adapt to multiple signal detection platforms, and deploy for versatile applications such as molecular diagnosis during infectious disease outbreaks like COVID-19. Employing a lateral flow readout, FELUDA shows 100\% sensitivity and 97\% specificity across all ranges of viral loads in clinical samples within 1hr. In combination with RT-RPA and a smartphone application True Outcome Predicted via Strip Evaluation (TOPSE), we present a prototype for FELUDA for CoV-2 detection closer to home.

}, keywords = {CRISPRDx, FELUDA, FnCas9, LFA, SARS-CoV2, SNV detection}, issn = {0956-5663}, doi = {10.1016/j.bios.2021.113207}, author = {Azhar, Mohd and Phutela, Rhythm and Kumar, Manoj and Ansari, Asgar Hussain and Rauthan, Riya and Gulati, Sneha and Sharma, Namrata and Sinha, Dipanjali and Sharma, Saumya and Singh, Sunaina and Acharya, Sundaram and Sarkar, Sajal and Paul, Deepanjan and Kathpalia, Poorti and Aich, Meghali and Sehgal, Paras and Ranjan, Gyan and Bhoyar, Rahul C. and Singhal, Khushboo and Lad, Harsha and Patra, Pradeep Kumar and Makharia, Govind and Chandak, Giriraj Ratan and Pesala, Bala and Chakraborty, Debojyoti and Maiti, Souvik and Indian CoV2 Genomics Genetic Epide} } @article {47702, title = {Rationally designed, efficient, and earth-abundant Ni-Fe cocatalysts for solar hydrogen generation}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {9}, year = {2021}, month = {OCT }, pages = {13915-13925}, type = {Article}, abstract = {Developing highly efficient and affordable catalysts for solar hydrogen (H-2) generation is crucial, and employing a cocatalyst from earth-abundant elements has a critical role to play. In this context, different compositions of earth-abundant Ni-Fe alloy (1:1, 1:3, and 3:1) have been prepared by hydrothermal method; subsequently, 1 wt \% of these Ni-Fe cocatalysts were integrated with TiO2-P25 and thoroughly characterized. The resultant catalysts have been evaluated for solar H-2 production, in powder and thin film forms, under one sun condition and in direct sunlight. Interestingly, all the catalysts in the thin film form exhibit superior hydrogen yield (HY), up to 27 times higher activity than its powder counterpart. Among the photocatalysts, Ni-Fe/TiO2 (3:1 = Ni/Fe; NFT31) composition exhibits the best HY in thin film (8.27 mmol.h(-1).g(-1)) and exceeds all other compositions of catalyst. It is also to be reported that HY measured for the powder form with 1 mg shows 3-17 times higher activity than that measured with 25 mg. This is mainly attributed to effective solar light absorption with a smaller amount of photocatalyst either spread over large area in a thin film form or well-dispersed in suspension forms. Furthermore, the enhanced activity obtained with Ni-Fe/TiO2 photocatalysts is also ascribed to strong electronic integration of Ni-Fe cocatalyst with TiO2 and higher performance obtained with a thin film is attributed to increased charge carrier generation and subsequent charge separation and effective utilization. A decrease in work function of TiO2 by 0.6 eV was observed after its integration with cocatalyst in NFT31.}, keywords = {Cocatalyst, Hydrogen, Ni-Fe alloy, solar energy, TiO2, water splitting}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c05158}, author = {Tudu, Bijoy and Nalajala, Naresh and Reddy, Kasala Prabhakar and Saikia, Pranjal and Gopinath, Chinnakonda S.} } @article {47464, title = {Reactions of 2,3-dibromonaphthalene-1,4-dione and pyridyl amines: X-ray structures, DFT investigations, and selective detection of the Hg2+ and Ni2+ ions}, journal = {Engineered Science}, volume = {14}, year = {2021}, month = {FEB}, pages = {78-93}, type = {Article}, abstract = {

In this work, the products formed by the reaction between 2,3-dibromonaphthalene-1,4-dione with (pyridine-2-yl)methanamine and (pyridine-4-yl)methanamine are discussed in detial. The products 2-amino-3-bromonaphthalene-1,4-dione (A) and 2-aminonaphthalene-1,4-dione (B(1)) obtained are characterized through\ 1H and\ 13C-NMR, FTIR, mass spectrometry, single-crystal X-ray diffraction experiments, which are in conjunction with wB97X based density functional theory.\ compound\ A\ can effectively and selectively detect Hg2+\ and Ni2+\ ions, and proposes a potential mechanism of action.

}, issn = {2576-9898}, doi = {10.30919/es8d427}, author = {Aggrwal, Gunjan and Salunke-Gawali, Sunita and Gejji, Shridhar P. and Nikalje, Milind and Chakravarty, Debamitra and Verma, Prakash L. and Gosavi-Mirkute, Prajkta and Harihar, Shital and Jadhav , Mahesh and Puranik, Vedavati G.} } @article {47647, title = {Reactivities of silaimines with boranes: from cooperative B-H bond activation to donor stabilized silyl cation}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {JUL}, pages = {2133-2138}, type = {Article}, abstract = {The recently published silylene with a tris(trimethylsilyl) group, PhC(NtBu)(2)SiSi(SiMe3)(3) (1), was reacted with the organic azides such as SiMe3N3 and AdN(3) to form the respective hypersilylsilaimines, PhC(NtBu)(2)Si(=NR)Si(SiMe3)(3) 2 (R = SiMe3) and 3 (R = Ad). The B-H bond of HBpin or HBcat was split across the Si=N bond upon reaction with 2, which generated 4 and 5, respectively. However, we could not obtain the crystals of 4 and 5 appropriate for X-ray diffraction. Subsequently, we performed the analogous reactions with a related silaimine PhC(NtBu)(2)Si(=NSiMe3)N(SiMe3) 2 (2{\textquoteright}) and isolated similar B-H bond activated products 6 and 7. The reaction of 2{\textquoteright} with HBCl2 resulted in donor stabilized silyl cations (8 and 9) supported by an amidinate ligand.}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00273}, author = {Bisai, Milan Kumar and Sharma, Vishal and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {48256, title = {Reactivity, bonding and structural elucidation of pendant methyl-pyridinato beta-diketiminate ligand moiety}, journal = {Acta Crystallographica A-Foundation and Advances}, volume = {77}, year = {2021}, month = {AUG}, pages = {C938}, type = {Meeting Abstract}, keywords = {Flexibility of beta-diketiminate ligand, six-membered dialane heterocycle: an analogue of cyclohexane, structural diversity, Transmetallation among two p-block elements}, issn = {2053-2733}, author = {Pahar, S. and Sen, S. S.} } @article {47618, title = {Reactivity of (TMS)(2)N(eta(1)-Cp*)Si=Si(eta(1)-Cp*)N(TMS)(2) toward the Halides of Groups 13-15}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {JUN }, pages = {1874-1883}, type = {Article}, abstract = {In this paper, we have demonstrated the unique reactivity of a previously reported disilene [(TMS)(2)N(eta(1)-Me5C5)Si=Si(eta(1)-Me5C5)N(TMS)(2)] (1) with the halides of groups 13-15, which resulted in the formation of silicon-E (E = B, Al, Ge, P) bonds. Treatment of 1 with Lewis acidic BCl3 led to the formation of a cationic boron species [Cp*BSi(Cl)(2)N(TMS)(2))][BCl3SiCl3] (2). In contrast, the reaction of 1 with BCy2Cl afforded an oxidative addition product [(TMS)(2)N(eta(1)-Me5C5)Si(BCy2)(Cl)] (3) via the insertion of a Si(II) atom into the B-Cl bond. Extending the reaction with its higher congener led to classical Lewis acid-base adducts, (TMS)(2)N(eta(1)-Me5C5)Si -> AlCl3 (4) and (TMS)(2)N(eta(1)-Me5C5)Si -> AlBr3 (5), respectively. The reaction of GeCl2 with 1 proceeded in a completely different manner and resulted in a hybrid dendrimeric compound [HGe(Si(Cl)(2)N(TMS)(2))(3)] (6), whereas, with SnCl2, it led to Cp*SnCl (7). Lastly, the reaction of Ph2PCl followed the same pattern like Cy2BCl and led to the formation of an oxidative addition product [(TMS)(2)N(eta(1)-Me5C5)Si(PPh2)(Cl)] (9) with a Si-P bond.}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00203}, author = {Sen, Nilanjana and Parvin, Nasrina and Tothadi, Srinu and Khan, Shabana} } @article {47621, title = {Readily available lithium compounds as catalysts for the hydroboration of carbodiimides and esters}, journal = {Journal of Organometallic Chemistry}, volume = {949}, year = {2021}, month = {SEP 15}, pages = {121924}, type = {Article}, abstract = {Selective and efficient hydroboration of esters and carbodiimides to alcohols and amines by two welldefined and readily accessible lithium complexes, 2,6-di-tert-butyl phenolate lithium (1a ) and 1,1{\textquoteright}-dilithioferrocene (1b ) are described. A range of aliphatic, aromatic, and cyclic esters with various functional groups were selectively converted into the corresponding boronate esters. Similarly, the single hydroboration of carbodiimides with aliphatic and aromatic substituents on the nitrogen atoms was studied. A possible mechanistic pathway of the hydroboration of carbodiimides with HBpin has been proposed using NMR studies and DFT calculations. These reactions are convenient alternatives to stoichiometric hydride reduction or hydrogenation. The employing of lithium complexes is also significant, because of the need to find cheap and green alternatives to noble metal complexes. (C) 2021 Elsevier B.V. All rights reserved.}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2021.121924}, author = {Bisai, Milan Kumar and Gour, Kritika and Das, Tamal and Vanka, Kumar and Sen, Sakya S.} } @article {47821, title = {Recent advances in liquid organic hydrogen carriers: an alcohol-based hydrogen economy}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {NOV}, pages = {14712-14726}, type = {Article}, abstract = {Energy storage and the use of abundantly available feedstock without contributing to the carbon footprint are two significant global challenges. In this regard, the development of high-performance, low-cost, sustainable, and environmentally friendly energy storage and production systems is crucial to fulfill the growing energy demands of the current society. The use of hydrogen will diversify energy sources as it significantly reduces greenhouse gas emissions and environmental pollution during energy conversion. Although the hydrogen economy is quite beneficial, hydrogen storage is still very challenging, and the existing methods suffer from a lot of problems and drawbacks. The conventional liquefaction and compression hydrogen storage technologies are associated with several challenges, including low storage density, boil-off losses, relatively high costs, and safety and transportation concerns. In recent years, liquid organic hydrogen carrier (LOHC) systems have attained a lot of importance as a substitute for the traditional storage methods. Hydrogen storage and transport using LOHCs are based on two-step cycles, such as (i) loading/storage of hydrogen by catalytic hydrogenation of H2-lean compounds and (ii) unloading/releasing hydrogen by dehydrogenating the resulting H2-rich liquids. Since alcohols are widely accessible from various industrial processes or even from biomass-derived precursors, the catalytic acceptorless dehydrogenation of alcohols is an attractive approach for future hydrogen storage applications. Hence, the catalytic dehydrogenation-hydrogenation of alcohols can be used for the development of alcohol-based LOHC systems which are economical, safe, and easy to handle. Further, they are similar to crude oils under ambient conditions and thus are suitable for use in the current energy infrastructure. This Review covers several essential aspects of these developing efficient and abundantly available LOHC systems for efficient hydrogen storage and transport applications. Additionally, reversible LOHC systems based on the catalytic dehydrogenation-hydrogenation of alcohols and their corresponding carbonyl compounds have been discussed.}, doi = {10.1021/acscatal.1c03283}, url = {https://doi.org/10.1021/acscatal.1c03283}, author = {Yadav, Vinita and Sivakumar, Ganesan and Gupta, Virendrakumar and Balaraman, Ekambaram} } @article {47126, title = {Repurposing the McoTI-II rigid molecular scaffold in to inhibitor of {\textquoteleft}papain superfamily{\textquoteright} cysteine proteases}, journal = {Pharmaceuticals}, volume = {14}, year = {2021}, month = {JAN}, pages = {7}, type = {Article}, abstract = {

Clan C1A or {\textquoteleft}papain superfamily{\textquoteright} cysteine proteases are key players in many important physiological processes and diseases in most living systems. Novel approaches towards the development of their inhibitors can open new avenues in translational medicine. Here, we report a novel design of a re-engineered chimera inhibitor Mco-cysteine protease inhibitor (CPI) to inhibit the activity of C1A cysteine proteases. This was accomplished by grafting the cystatin first hairpin loop conserved motif (QVVAG) onto loop 1 of the ultrastable cyclic peptide scaffold McoTI-II. The recombinantly expressed Mco-CPI protein was able to bind with micromolar affinity to papain and showed remarkable thermostability owing to the formation of multi-disulphide bonds. Using an in silico approach based on homology modelling, protein-protein docking, the calculation of the free-energy of binding, the mechanism of inhibition of Mco-CPI against representative C1A cysteine proteases (papain and cathepsin L) was validated. Furthermore, molecular dynamics simulation of the Mco-CPI-papain complex validated the interaction as stable. To conclude, in this McoTI-II analogue, the specificity had been successfully redirected towards C1A cysteine proteases while retaining the moderate affinity. The outcomes of this study pave the way for further modifications of the Mco-CPI design for realizing its full potential in therapeutics. This study also demonstrates the relevance of ultrastable peptide-based scaffolds for the development of novel inhibitors via grafting.

}, keywords = {Cathepsin, Clan CA cysteine proteases, cyclotide, cystatin, McoTI-II, papain, protein engineering}, doi = {10.3390/ph14010007}, author = {Mishra, Manasi and Singh, Vigyasa and Tellis, Meenakshi B. and Joshi, Rakesh S. and Singh, Shailja} } @article {47752, title = {Resistive switching in HfO2-x/La0.67Sr0.33MnO3 heterostructures: an intriguing case of low H-field susceptibility of an E-field controlled active interface}, journal = {ACS Applied Materials \& Interfaces}, volume = {13}, year = {2021}, month = {NOV }, pages = {54133-54142}, type = {Article}, abstract = {High-performance nonvolatile resistive random access memories (ReRAMs) and their small stimuli control are of immense interest for high-speed computation and big-data processing in the emerging Internet of Things (IoT) arena. Here, we examine the resistive switching (RS) behavior in growth-controlled HfO2/La0.67Sr0.33MnO3 (LSMO) heterostructures and their tunability in a low magnetic field. It is demonstrated that oxygen-deficient HfO2 films show bipolar switching with a high on/off ratio, stable retention, as well as good endurance owing to the orthorhombic-rich phase constitution and charge (de)trapping-enabled Schottky-type conduction. Most importantly, we have demonstrated that RS can be tuned by a very low externally applied magnetic field (similar to 0-30 mT). Remarkably, application of a magnetic field of 30 mT causes RS to be fully quenched and frozen in the high resistive state (HRS) even after the removal of the magnetic field. However, the quenched state could be resurrected by applying a higher bias voltage than the one for initial switching. This is argued to be a consequence of the electronically and ionically {\textquoteleft}{\textquoteleft}active{\textquoteright}{\textquoteright} nature of the HfO2-x/LSMO interface on both sides and its susceptibility to the electric and low magnetic field effects. This result could pave the way for new designs of interface-engineered high-performance oxitronic ReRAM devices.}, keywords = {charge trapping-detrapping, low external magnetic field, oxide-oxide interface, pulsed laser deposition, resistive switching, Schottky barrier}, issn = {1944-8244}, doi = {10.1021/acsami.1c15082}, author = {Antad, Vivek and Shaikh, Parvez A. and Biswas, Abhijit and Rajput, Shatruhan Singh and Deo, Shrinivas and Shelke, V, Manjusha and Patil, Shivprasad and Ogale, Satishchandra} } @article {47416, title = {Reusable magnetic nanocatalyst for bio-fuel additives: the ultrasound-assisted synthesis of solketal dagger}, journal = {Sustainable Energy \& Fuels }, volume = {5}, year = {2021}, month = {APR}, pages = {2362-2372}, type = {Article}, abstract = {

Acetalization of glycerol into solketal, a potential fuel additive, is a promising approach to utilizing the large waste-stream of glycerol from the biodiesel industry. Herein, we report an efficient ultrasound-assisted room temperature synthesis of solketal by acetalization of glycerol with acetone using an easily recoverable sulfonic acid-functionalized, silica-coated Fe3O4 magnetic nanoparticle (Fe3O4@SiO2@SO3H MNP, FSS MNP) catalyst. The morphology, chemical composition and magnetic properties of the catalyst were elucidated. The acetalization of glycerol was carried out under ultrasonication at room temperature, resulting in 97\% glycerol conversion after 15 minutes and 95\% isolated yield of solketal with 100\% selectivity for this acetal. The facile magnetic retrievability of the catalyst imparted operational simplicity to the solketal synthetic protocol, avoiding complicated catalyst separation and product purification processes. The FSS catalyst was magnetically recycled for up to five catalytic experiments, maintaining a glycerol conversion of 95\% and without deterioration in its selectivity, composition, morphology or magnetic properties, thereby ameliorating the green aspects of the protocol.

}, issn = {2398-4902}, doi = {10.1039/d0se01900c, Early Access Date = MAR 2021}, author = {Rajkumari, Kalyani and Changmai, Bishwajit and Meher, Ananta Kumar and Vanlalveni, Chhangte and Sudarsanam, Putla and Wheatley, Andrew E. H. and Rokhum, Samuel Lalthazuala} } @article {47788, title = {Review on bio-inspired synthesis of silver nanoparticles: their antimicrobial efficacy and toxicity}, journal = {Engineered Science}, volume = {16}, year = {2021}, month = {JUN}, pages = {90-128}, type = {Review Paper}, abstract = {Silver nanoparticles are one of the most studied compounds in materials science due to their antimicrobial efficacies and, for instance, in photocatalysis, dye-sensitised solar cells, and biomedical devices. However, conventional methods of synthesis of silver nanoparticles (AgNPs) require hazardous and costly chemicals, and a large amount of energy is expended. In this review, efforts have been made to target where eco-friendly synthetic techniques are being conducted using various plant extract to develop nanoparticles in inexpensive, easily scaled up, and environmentally benign. These findings are stimulated intense research activities that focused on synthesis, modification, properties, and applications of these ecofriendly nanoparticles. This review covers all these aspects, such as the biological routes for the synthesis of nanoparticles employed to synthesis the nano-silver using algae, bacteria, plants, fungi, etc. Also, the chemical positions and possible traditional uses of the plants are enlisted.\ }, issn = {2576-9898}, doi = {10.30919/es8d479}, url = {http://dx.doi.org/10.30919/es8d479}, author = {Prasad, S.R. and Teli, S.B. and Ghosh, J. and Prasad, N.R. and Shaikh, V. S. and Nazeruddin, G.M. and Al-Sehemi, Abdullah G. Al and Patel, Imran and Shaikh, Y.I.} } @article {47773, title = {Review on liquid chromatographic analysis of colchicine in the forensic and medical perspective}, journal = {Toxicologie Analytique et Clinique}, volume = {33}, year = {2021}, month = {DEC}, pages = {276-287}, type = {Article}, abstract = {Colchicine is a tricyclic alkaloid extracted from the family of plants called Colchicaceae. Colchicine is pharmacologically active and works as an anti-mitotic agent. The alkaloid has a narrow therapeutic index, and a slight increase in colchicine concentration can lead to toxicity, and an overdose can be fatal to the individual. This nature of the alkaloid has made the scientific community interested in the analysis of colchicine. This critical review mainly comprises an analytical overview of the extraction and the liquid chromatographic (LC) analysis of colchicine in the field of forensic and medical toxicology. The prominent extraction techniques, detectors, and liquid chromatographic parameters favorable for colchicine estimation have been discussed in this paper. This review has covered the relevant research works within a timeline of two decades based on the scope of the literature and the scientific importance.}, doi = {10.1016/j.toxac.2021.07.007}, author = {Krishna, Rohith and Shivankar, Bhavana} } @article {47051, title = {Rhamonolipids produced by Pseudomonas aeruginosa promotes methane hydrates formation in fixed bed silica gel medium}, journal = {Marine Geophysical Research}, volume = {42}, year = {2021}, month = {MAR}, pages = {5}, type = {Article}, abstract = {

Natural gas hydrates are seen as an alternative future energy source. They have also been valued for their carbon dioxide capturing capability, gas separation, desalination, natural gas storage and transportation. Developing economical and viable gas hydrate based technology is one of the most promising research areas of present decade. Successful commercialization of gas hydrate based technology is often curtailed due to slow formation rate. The present study evaluates biosurfactant as a kinetic promoter of methane hydrates formation in a fixed bed C type silica gel medium. Biosurfactant was produced by growing Pseudomonas aeruginosa strain A11 in glycerol supplemented mineral salt medium. Biosurfactant characterization with FTIR, NMR and MALDI-TOF spectroscopy reveled it to be a glycolipids type biosurfactant namely rhamnolipids. Saturating C type silica gel with of 100 ppm rhamnolipids solution enhanced the rate of methane hydrates formation by reducing the induction time. Mole of methane consumed and percentage of water to hydrate conversion was observed to be more in 1000 ppm rhamnolipids saturated C type silica gel as compared to quiescent water system and water saturated silica gel system. Overall results suggest that rhamonolipids produced by strain A11 in combination with silica gel can be utilized as environmentally safe kinetic promoter for methane hydrate formation.

}, keywords = {Biosurfactant, Energy, Glycolipids, Induction time, Kinetic promoter}, issn = {0025-3235}, doi = {10.1007/s11001-020-09426-6}, author = {Arora, Amit and Cameotra, Swaranjit Singh and Balomajumder, Chandrajit and Kumar, Rajnish and Singh, Anil Kumar and Santhakumari, B. and Kumar, Pushpendra and Laik, Sukumar} } @article {47783, title = {Rise of the superbugs: what we need to know overview of antimicrobial resistance}, journal = {Resonance}, volume = {26}, year = {2021}, month = {SEP}, pages = {1251 - 1266}, type = {Article}, abstract = {Bacteria often cause infections, and we take antibiotics to help us recover. Antibiotics are like magic pills that have saved millions of lives. However, the overuse of antibiotics is now making bacteria evolve fast and evade these antibiotics. A few bacteria like the purple one in the petri plate (Figure 1) have evolved a way to dodge and not get killed by one particular kind of antibiotic. The day might come soon when not a single antibiotic would work, and we could die of even tiny paper cuts. In this article, we discuss what antibiotics are, how they target bacteria, and why bacteria are suddenly becoming resistant to antibiotics. We include a list of ten points that each of us must follow and a pledge for everyone to take, to help stop the spread of antibiotic resistance. A small questionnaire is included that we would like you all to answer. Together we can win the battle against antibiotic resistance.}, isbn = {0973-712X}, doi = {10.1007/s12045-021-1227-8}, url = {https://doi.org/10.1007/s12045-021-1227-8}, author = {Sengupta, Durba and Raghunathan, Anu} } @article {47395, title = {Role of charge compensation mechanism and defect dipoles on properties of Mn doped BCT ceramics}, journal = {Ceramics International}, volume = {47}, year = {2021}, month = {APR}, pages = {11491-11505}, type = {Article}, abstract = {

Single-phase Mn doped Barium Calcium Titanate (BCT) (Ba0.80Ca0.20Ti1-xMnxO3; x = 0.000, 0.005, 0.010, 0.015 and 0.020) lead free ceramics have been prepared by conventional solid-state reaction method. XRD studies and Rietveld refinement confirmed the existence of tetragonal phase (P4mm) for all prepared ceramic compositions. The average grain size increased up to x = 0.005 and thereafter it decreased with increase in Mn content in BCT compositions. Analysis of temperature-dependent dielectric study revealed phase transformation from tetragonal to cubic phase and defect dipole induced anomaly in paraelectric region of temperature-dependent dielectric constant ( epsilon{\textquoteright}-T) curve. Degree of diffusiveness increased with Mn doping in BCT ceramics as confirmed by evaluating diffused phase transition (DPT) parameters (gamma and delta(c)) by Power Law fitting and width of diffused phase transition (D{\textquoteright}) obtained from derivative of epsilon{\textquoteright}-T curve. Ferroelectric (P-E loops) study revealed that ceramic composition with x = 0.015 Mn content showed the highest remnant polarization (P-r) and maximum polarization (P-max) of 14.10 mu C/cm(2) and 24.20 mu C/cm(2) respectively. Enhancement in energy storage properties with applied electric fields have been observed at room temperature. Maximum energy storage density W-rec similar to 190.89 mJ/cm(3) with an efficiency of 48.63\% has been obtained for x = 0.015. A large piezoelectric charge coefficient (d(33)) of 460 pC/N has been obtained for x = 0.020. The room temperature magnetic measurements shows feeble ferromagnetism for Mn doped samples. These studies suggest the application of these ceramics for multilayer ceramic capacitors, energy storage, and high power applications..

}, keywords = {Defect dipoles, Dielectric anomaly, Energy storage, Ferroelectric materials, ferromagnetic materials, Lead-free ceramics, Mn doped BCT, piezoelectric, Williamson-Hall (W-H)}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2020.12.277}, author = {Redhu, Preeti and Sharma, Preeti and Hooda, Ashima and Singh, Anupinder and Sharma, Geeta and Punia, Rajesh} } @article {47823, title = {Role of chemical structure of support in enhancing the catalytic activity of a single atom catalyst toward NRR: a computational study}, journal = {Frontiers in Chemistry}, volume = {9}, year = {2021}, month = {SEP}, type = {Article}, abstract = {Using the periodic density functional theory{\textendash}based methodology, we propose a potential catalytic system for dinitrogen activation, viz., single metal atoms (Mo, Fe, and V) supported on graphene-based sheets. Graphene-based sheets show an excellent potential toward the anchoring of single atoms on them (Mo, Fe, and V) with adsorption energies ranging between 1.048 and 10.893~eV. Factors such as defects and BN doping are noted to enhance the adsorption energies of single metal atoms on the support. The adsorption of a dinitrogen molecule on metal atom{\textendash}anchored graphene-based supports is seen to be highly favorable, ranging between 0.620 and 2.278~eV. The adsorption is driven through a direct hybridization between the d orbitals of the metal atom (Mo, Fe, and V) on the support and the p orbital of the molecular nitrogen. Noticeably, BN-doped graphene supporting a single metal atom (Mo, Fe, and V) activates the N2 molecule with a red shift in the N{\textendash}N stretching frequency (1,597~cm-1 as compared to 2,330~cm-1 in the free N2 molecule). This red shift is corroborated by an increase in the N{\textendash}N bond length (1.23~{\r A} from 1.09~{\r A}) and charge transfer to an N2 molecule from the catalyst.}, issn = {2296-2646}, doi = {10.3389/fchem.2021.733422}, author = {Senthamaraikannan, Thillai Govindaraja and Kaliaperumal, Selvaraj and Krishnamurty, Sailaja} } @article {47098, title = {Role of cholesterol in transmembrane dimerization of the ErbB2 growth factor receptor}, journal = {Journal of Membrane Biology}, year = {2021}, month = {JAN}, type = {Article; Early Access 2021}, abstract = {

The association of ErbB2 growth factor receptors is critical for cell growth and potentiates tumor proliferation in several cancer types. An important aspect in ErbB2 association is the role of lipids such as cholesterol, especially since their metabolism is often reprogrammed in cancer cells. Here, we have coupled metadynamics with coarse-grain simulations to identify cholesterol effects in the transmembrane dimerization of ErbB2 receptors. Overall, cholesterol interactions are observed with the receptor that directly tunes the association energetics. Several dimer conformations are identified both in the presence and absence of cholesterol, although the dimer regime appears to be more favorable in the presence of cholesterol. We observe an overall modulation of the underlying energy profile and the symmetric active and inactive conformational states are not distinguished in the presence of cholesterol. We show that cholesterol binds to the receptor transmembrane domain at a site (CRAC motif) that overlaps with the dimer interface (SmXXXSm motif). The competition between the transmembrane interactions and cholesterol interactions decides the final conformational landscape. Our work is an important step toward characterizing cholesterol effects in ErbB2 membrane receptor function. [GRAPHICS] .

}, keywords = {Cholesterol, ErbB2 growth factor receptor, Her2 dimer, Juxtamembrane dimer, Martini coarse-grain simulations, Metadynamics}, issn = {0022-2631}, doi = {10.1007/s00232-021-00168-z, Early Access Date = JAN 2021}, author = {Pawar, Aiswarya B. and Sengupta, Durba} } @article {47634, title = {Role of metal-support interaction for atmospheric pressure CO2 hydrogenation over Pd/(Ti)-SBA-15 catalyst: effect of titanium composition on products selectivity}, journal = {Molecular Catalysis}, volume = {511}, year = {2021}, month = {JUL}, pages = {111732}, type = {Article}, abstract = {The potential role of metal-support interaction for tuning the product selectivity during atmospheric pressure CO2 hydrogenation has been demonstrated on Pd/(Ti)-SBA-15 catalyst. Highly dispersed Pd NPs on SBA-15 (Pd/ SBA-15) was synthesized and further modified with titanium of varying composition. Comparison of catalytic activity of Pd/Ti-SBA-15 with its counterparts (Pd/SBA-15 and Pd/TiO2) illustrated the significance of strong PdTi interface in this catalyst and its role in tuning the product selectivity of CO2 hydrogenation. The generation of an ample amount of oxygen vacancies in the Pd/Ti-SBA-15 catalyst with maximum metallic Pd sites in close vicinity of Ti is proposed to boost the CO2 hydrogenation activity.}, keywords = {CO2 hydrogenation, Metal-support interaction, Modified deposition precipitation, oxygen vacancies, Titanosilicates}, issn = {2468-8231}, doi = {10.1016/j.mcat.2021.111732}, author = {Soni, Yogita and Gupta, Sharad and Vinod, C. P.} } @article {47641, title = {Role of preparation parameters of Cu-Zn mixed oxide catalyst in solvent free glycerol carbonylation with urea}, journal = {Journal of the Indian Chemical Society}, volume = {98}, year = {2021}, month = {JUL}, pages = {100090}, type = {Article}, abstract = {Solvent-free carbonylation of glycerol with urea to glycerol carbonate (GC) was achieved over heterogeneous Cu-Zn mixed oxide catalyst. Cu-Zn catalysts with different ratios of Cu:Zn were prepared using co-precipitation (CP) and oxalate gel (OG) methods. As compared to CuO-ZnO(2:1) catalyst prepared by oxalate gel (OG) method, much higher conversion of glycerol and highest selectivity towards glycerol carbonate (GC) was achieved with CuO-ZnO_CP(2:1) catalyst. Physicochemical properties of prepared catalysts were investigated by using XRD, FT-IR, BET, TPD of CO2 and NH3 and TEM techniques. The effect of stoichiometric ratio of Cu/Zn, calcination temperature of CuO-ZnO catalysts and effect of reaction parameters such as molar ratio of substrates, time and temperature on glycerol conversion to GC were critically studied. Cu/Zn of 2:1 ratio, glycerol-urea 1:1 molar ratio, 145 degrees C reaction temperatures were found to be optimized reaction conditions to achieve highest glycerol conversion of 86\% and complete selectivity towards GC. The continuous expel of NH 3 from reaction the mixture avoided formation of ammonia complex with CuO-ZnO catalyst. As a result of this, CuO-ZnO catalyst could be recycled up to three times without losing its initial activity.}, keywords = {Co-precipitation (CP), Glycerol, Glycerol carbonate, Oxalate gel (OG)}, issn = {0019-4522}, doi = {10.1016/j.jics.2021.100090}, author = {Charate, Shrinivas and Shinde, Suhas and Kondawar, Sharda and Desai, Uday and Wadgaonkar, Prakash and Rode, Chandrashekhar} } @article {47703, title = {Room-temperature quasi-catalytic hydrogen generation from waste and water}, journal = {Green Chemistry}, volume = {23}, year = {2021}, month = {OCT}, pages = {7528-7533}, type = {Article}, abstract = {A solvation-driven catalyst-free H-2 generation system from water and various waste hydrosilanes at room temperature was developed, with good to quantitative H-2 yields in minutes. Using a green solvent is found to promote the strong coordination of proton carriers with hydrosilane to liberate H-2 based on molecular dynamics simulations. Theoretical calculations clarify that OH(-)in situ generated from H2O enabled by solvation is favorable for activating the Si-H species of hydrosilane, and the in situ formed Si-OH interacts more effectively with the adjacent remaining Si-H, both contributing to the overall enhanced H-2 generation. Moreover, the overall life-cycle impacts of the developed system are less than those of industrial H-2 production processes, especially in ozone layer depletion and abiotic depletion resources - fossil fuels. This protocol realizes the potential of efficiently producing H-2 from waste and water, and opens a new avenue to alleviate petroleum consumption.}, issn = {1463-9262}, doi = {10.1039/d1gc02722k}, author = {Wu, Hongguo and Zhang, Li-Long and Wang, Junqi and Jiang, Yiyuan and Li, Hu and Sudarsanam, Putla and Yang, Song} } @article {47047, title = {Ru-catalyzed asymmetric transfer hydrogenation of alpha-acyl butyrolactone via dynamic kinetic resolution: asymmetric synthesis of bis-THF alcohol intermediate of darunavir}, journal = {Tetrahedron Letters}, volume = {66}, year = {2021}, month = {MAR }, pages = {152831}, type = {Article}, abstract = {

The Ru-catalyzed enantio- and diastereoselective dynamic kinetic resolution of alpha-(benzyloxy/benzoyloxy)acyl-gamma-butyrolactones has been examined via transfer hydrogenation. Employing the in situ prepared (R,R)-Ru-FsDPEN catalyst, the transfer hydrogenation of using formic acid/triethylamine at rt gave the corresponding (S)-3-((S)-2-(benzyloxy/benzoyloxy)-1-hydroxyethyl)dihydrofuran-2(3H)-on e with good to excellent diastereo- and enantioselectivity. One of the resulting hydrogenation product prepared on gram scales was utilized for the synthesis of (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol (1), a key synthetic intermediate of various HIV protease inhibitors such as darunavir with excellent enantio-(95\% ee) and diastereoselectivities (dr 95:5). (C) 2021 Elsevier Ltd. All rights reserved.

}, keywords = {Bis-THF-OH intermediate, Darunavir, Dynamic kinetic resolution, Ru-catalysis, transfer hydrogenation}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2021.152831}, author = {More, V. Ganesh and Malekar, V. Pushpa and Kalshetti, Rupali G. and Shinde, Mahesh H. and Ramana, V. Chepuri} } @article {47427, title = {Short enantioselective total synthesis of (+)-tofacitinib}, journal = {Tetrahedron Letters}, volume = {67}, year = {2021}, month = {MAR}, pages = {152838}, type = {Article}, abstract = {

An enantioselective total synthesis of Tofacitinib (CP-690,550), a Janus tyrosine kinase (JAK3) specific inhibitor has been achieved from the readily available 4-piperidone. Proline catalysed hydroxylation is the key step for the synthesis of enantiopure 1-benzyl-4-methylpiperidin-3-ol. (C) 2021 Elsevier Ltd. All rights reserved.

}, keywords = {aminohydroxylation, Hydrogenation, L-proline, piperidone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2021.152838}, author = {Mane, Kishor D. and Kamble, Rohit B. and Suryavanshi, Gurunath} } @article {47405, title = {Silk fibroin and ceramic scaffolds: comparative in vitro studies for bone regeneration}, journal = {Bioengineering \& Translational Medicine}, year = {2021}, month = {APR}, pages = {e10221}, type = {Article; Early Access}, abstract = {

Synthetic bone void fillers based on calcium ceramics are used to fill cavities in the bone and promote bone regeneration. More recently, silk fibroin (SF), a protein polymer obtained from Bombyx mori silkworm, has emerged as a promising material in bone void filling. In this work, we have compared the safety and efficacy of two types of silk fibroin-based bone void fillers with currently used and commercially available ceramic bone void fillers (based on calcium sulphate, beta tricalcium phosphate, and beta tricalcium phosphate with hydroxyapatite). Further, we have also evaluated these two types of SF scaffolds, which have strikingly different structural attributes. The biocompatibility of these scaffolds was comparable as assessed by cytotoxicity assay, cellular adhesion assay, and immunogenic assay. Ability of the scaffolds to support differentiation of human mesenchymal stem cells (hMSCs) into an osteoblastic lineage was also evaluated in an in vitro differentiation experiment using reverse transcriptase polymerase chain reaction analysis. These results revealed that cells cultured on SF scaffolds exhibit higher expression of early to late markers such as Runx2, BMPs, collagen, osterix, osteopontin, and osteocalcin as compared with ceramic-based scaffolds. This observation was further validated by studying the expression of alkaline phosphatase and calcium deposition. We also show that scaffolds made from same material of SF, but characterized by very different pore architectures, have diverse outcome in stem cell differentiation.

}, keywords = {beta tricalcium phosphate, bone regeneration, bone void filler, calcium sulphate, hMSCs, hydroxyapatite, osteoblasts, scaffold, Silk fibroin}, doi = {10.1002/btm2.10221, Early Access Date = APR 2021}, author = {Deshpande, Rucha and Shukla, Swati and Sayyad, Raeesa and Salunke, Shalmali and Nisal, Anuya and Venugopalan, Premnath} } @article {47695, title = {Solvent extraction of copper enhanced by mixing cavities in micromixer}, journal = {Solvent Extraction Research and Development-Japan}, volume = {28}, year = {2021}, month = {JUL}, pages = {37-47}, type = {Article}, abstract = {A Y micromixer with a macroscopic mixing cavity at the inlet junction was developed. The effects of the mixing cavity on the improvement of extraction of copper by LIX 841 were investigated. The investigated parameters and their ranges were: overall flow rate: 10 - 200 mL/min; microchannel size: 0.5 - 1 mm and mixing cavity diameter: 5 - 20 mm. Extraction efficiency, volumetric mass transfer coefficient, kinetics and pressure drop were investigated. The extraction efficiency and the volumetric mass transfer coefficient in the cavity micromixer were significantly higher than the Y micromixer. The volumetric mass transfer coefficient ranged between 1 - 93 s(-1), and the pressure drop between 50 - 500 kPa. The residence time required in the micromixers was two orders of magnitude lesser than that of an agitated batch reactor.}, issn = {1341-7215}, doi = {10.15261/serdj.28.37}, author = {Sheik, Abdul Rauf and Kulkarni, Amol A. and Sanjay, Kali} } @article {47442, title = {Spatio-temporal resolution of taxonomic and functional microbiome of Lonar soda lake of India reveals metabolic potential for bioremediation}, journal = {Chemosphere}, volume = {264}, year = {2021}, month = {FEB}, pages = {128574}, type = {Article}, abstract = {

Lonar Lake, India; a hypersaline and hyperalkaline extremophilic ecosystem having a unique microbial population has been rarely explored for bioremediation aspects. MinION-based shotgun sequencing was used to comprehensively compare the microbial diversity and functional potential of xenobiotic degradation pathways with seasonal changes. Proteobacteria and Firmicutes were prevalent bacterial phyla in the pre-monsoon and post-monsoon samples. Functional analysis from SEED-subsystem and KEGG database revealed 28 subsystems and 18 metabolic pathways for the metabolism of aromatic compounds and xenobiotic biodegradation respectively. Occurrence of N-phenyl alkanoic, benzoate, biphenyl, chloroaromatic, naphthalene, and phenol degradation genes depicted varied abundance in the pre-monsoon and post-monsoon samples. Further, KEGG analysis indicated nitrotoluene degradation pathway (ko00633) abundant in post-monsoon samples, and the benzoate degradation pathway (ko00362) predominant in 19LN4S (pre-monsoon) than 18LN7S (post-monsoon) samples. The abundant genes for benzoate degradation were pcaI: 3-oxoadipate CoA-transferase, alpha subunit, pcaH: protocatechuate 3,4-dioxygenase, beta subunit, and pcaB: 3-carboxy-cis, cis-muconate cycloisomerase, and 4-oxalocrotonate tautomerase. This metagenomic study provides a unique blueprint of hitherto unexplored xenobiotic biodegradation genes/pathways in terms of seasonal variations in the Lonar Lake, and warrants active exploitation of microbes for bioremediation purposes.

}, doi = {10.1016/j.chemosphere.2020.128574}, author = {Chakraborty, Jaya and Rajput, Vinay and Sapkale, Vibhavari and Kamble, Sanjay and Dharne, Mahesh} } @article {47744, title = {Stabilization of Azapeptides by N-amide center dot center dot center dot H-N-amide Hydrogen Bonds}, journal = {Organic Letters}, volume = {23}, year = {2021}, month = {JUL }, pages = {4949-4954}, type = {Article}, abstract = {An unusual N-amide center dot center dot center dot H-Namide hydrogen bond (HB) was previously proposed to stabilize the azapeptide beta-turns. Herein we provide experimental evidence for the N-amide center dot center dot center dot H-Namide HB and show that this HB endows a stabilization of 1-3 kcal.mol(-1) and enforces the trans-cis-trans (t-c-t) and cis-cis-trans (c-c-t) amide bond conformations in azapeptides and N-methyl-azapeptides, respectively. Our results indicate that these N-amide center dot center dot center dot H-Namide HBs can have stabilizing contributions even in short azapeptides that cannot fold to form beta-turns.}, issn = {1523-7060}, doi = {10.1021/acs.orglett.1c01111}, author = {Baruah, Kalpita and Sahariah, Biswajit and Sakpal, Sushil S. and Deka, Jugal Kishore Rai and Bar, Arun Kumar and Bagchi, Sayan and Sarma, Bani Kanta} } @article {47693, title = {Structure-property correlation of halogen substituted benzothiazole crystals}, journal = {Journal of Molecular Structure}, volume = {1243}, year = {2021}, month = {NOV }, pages = {130765}, type = {Article}, abstract = {We have synthesized 3 benzothiazole crystals (1-3) based on existing knowledge of combining flexibility and optical properties towards achieving applications for flexible optoelectronics. However, one crystal was found to be elastically bendable and was found to comply necessary packing features for elasticity. Other two crystals do not obey packing features for elasticity hence they are brittle in nature. Further, Hirshfeld analysis illustrates that elastic crystal 1 possess more number of weak and dispersive interactions compared to other crystals. These interactions were instrumental in invoking elasticity. Moreover, crystals 1-3 were found to be fluorescent as well at specific excitation wavelengths. Therefore, among these crystals, particularly crystal 1 is considered as more promising candidate for flexible optoelectronics. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Benzothiazole crystals, Elasticity, Halogen bond, mechanical properties}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2021.130765}, author = {Thekkeppat, Nipun P. and Singla, Labhini and Tothadi, Srinu and Das, Priyadip and Choudhury, Angshuman Roy and Ghosh, Soumyajit} } @article {47729, title = {Structure-tailored non-noble metal-based ternary chalcogenide nanocrystals for pt-like electrocatalytic hydrogen production}, journal = {ChemSusChem}, volume = {14}, year = {2021}, month = {AUG }, pages = {3074-3083}, type = {Article}, abstract = {A facile microwave-assisted strategy was employed to synthesize Ni3Bi2S2 nanocrystals. Variation in the synthesis conditions tuned the composition of monoclinic and orthorhombic phases of Ni3Bi2S2. The electrochemical hydrogen evolution activity of the catalyst with highest percentage of monoclinic phase demonstrated a negligible onset potential of only 24 mV close to that of state-of-the-art Pt/C with an overpotential as low as 88 mV. Density functional theory calculations predicted the monoclinic phase exhibit the lowest adsorption free energy corresponding to hydrogen adsorption (Delta GadsH*) and, therefore, the highest hydrogen evolution activity amongst the considered phases. The quasi-2D structure of monoclinic phase facilitated an increased charge-transfer between Ni and Bi, favoring the downward shift of the d-band center to enhance the catalytic activity.}, keywords = {charge transfer, electrocatalysis, hydrogen evolution reaction, Nanomaterials, ternary chalcogenides}, issn = {1864-5631}, doi = {10.1002/cssc.202100967}, author = {Sarkar, Shreya and Rawat, Abhishek and Das, Tisita and Gaboardi, Mattia and Chakraborty, Sudip and Vinod, C. P. and Peter, Sebastian C.} } @article {47429, title = {Study of combinatorial drug synergy of novel acridone derivatives with temozolomide using in-silico and in-vitro methods in the treatment of drug-resistant glioma}, journal = {Frontiers in Oncology}, volume = {11}, year = {2021}, month = {MAR}, pages = {625899}, type = {Article}, abstract = {

Drug resistance is one of the critical challenges faced in the treatment of Glioma. There are only limited drugs available in the treatment of Glioma and among them Temozolomide (TMZ) has shown some effectiveness in treating Glioma patients, however, the rate of recovery remains poor due to the inability of this drug to act on the drug resistant tumor sub-populations. Hence, in this study three novel Acridone derivative drugs AC2, AC7, and AC26 have been proposed. These molecules when combined with TMZ show major tumor cytotoxicity that is effective in suppressing growth of cancer cells in both drug sensitive and resistant sub-populations of a tumor. In this study a novel mathematical model has been developed to explore the various drug combinations that may be useful for the treatment of resistant Glioma and show that the combinations of TMZ and Acridone derivatives have a synergistic effect. Also, acute toxicity studies of all three acridone derivatives were carried out for 14 days and were found safe for oral administration of 400 mg/kg body weight on albino Wistar rats. Molecular Docking studies of acridone derivatives with P-glycoprotein (P-gp), multiple resistant protein (MRP), and O6-methylguanine-DNA methyltransferase (MGMT) revealed different binding affinities to the transporters contributing to drug resistance. It is observed that while the Acridone derivatives bind with these drug resistance causing proteins, the TMZ can produce its cytotoxicity at a much lower concentration leading to the synergistic effect. The in silico analysis corroborate well with our experimental findings using TMZ resistant (T-98) and drug sensitive (U-87) Glioma cell lines and we propose three novel drug combinations (TMZ with AC2, AC7, and AC26) and dosages that show high synergy, high selectivity and low collateral toxicity for the use in the treatment of drug resistant Glioma, which could be future drugs in the treatment of Glioblastoma.

}, keywords = {acridone derivatives, drug combinations, drug resistance, Glioma, mathematical model, synergy index}, issn = {2234-943X}, doi = {10.3389/fonc.2021.625899}, author = {Chakravarty, Malobika and Ganguli, Piyali and Murahari, Manikanta and Sarkar, Ram Rup and Peters, Godefridus Johannes and Mayur, Y. C.} } @article {47733, title = {Study on the failure of guide ropes used in mines}, journal = {Insight}, volume = {63}, year = {2021}, month = {JUN}, pages = {357-361}, type = {Article}, abstract = {The skips/cages in mine hoisting have to be guided to achieve high hoisting rates. Steel guide ropes are used in hoisting because they can safely guide the skips/cages and have been observed to be economical. Guide ropes are static in nature and are thus more prone to corrosion. An investigation into the causes of failure of a guide rope is discussed in this paper. The study consists of physical examination, examination of wear and corrosion, macro- and micro- examination, examination of the breaking load and individual tensile strength measurement of the rod. The main cause of failure is found to be corrosion. Heavy abrasion and corrosion together causes a substantial reduction in diameter of more than 60\%. Corrosion raises the stress level and thereby weakens the grains, which is indicated by the cracks that have developed all along the grains as revealed through micro-examination. This affects the breaking strength and reveals a 37\% loss of strength, as a result of which failure occurs.}, keywords = {corrosion on steel guide rope, guide rope failure, steel guide rope, wear}, issn = {1354-2575}, doi = {10.1784/insi.2021.63.6.357}, author = {Singh, M. K. and Mallick, M. and Verma, M. K.} } @article {47661, title = {Substrate augmented catalytic activity towards NRR: a case study of Li doped Al clusters on defective graphene}, volume = {566}, year = {2021}, month = {NOV}, pages = {150586}, type = {Article}, abstract = {Density Functional Theory (DFT) based methods are applied to examine the potential of lithium doped aluminium clusters consisting of 3-13 atoms for dinitmgen molecule activation in terms of N N bond length, redshift in N N bond stretching frequency, nitrogen interaction energy and frontier molecular orbitals analysis. The present work highlights the role of monovacant C-3 defective graphene as a support in fine tuning the catalytic activity of Li doped Al clusters for reduction of N-2. Fundamental insights to synergic binding of clusters with defective graphene is brought out and its role in enhancing activation of dinitmgen molecule is explained. Supported Aln-1Li clusters with six or more atoms are noted to be more active towards N-2 molecule activation as compared to the clusters without support. Dinitrogen molecule undergoes a maximum bond elongation of 1.56 angstrom corresponding to redshift of 1690 cm(-1) on Al7Li@graphene and Al12Li@graphene. This is maximum value reported in context of activation for N-2 molecule till date.}, keywords = {Al clusters, Al12Li, C-3 defective graphene, DFT, Li Doping, N-2 activation, Red-shift}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.150586}, author = {Samal, Pragnya Paramita and Poonam and Krishnamurty, Sailaja} } @article {47382, title = {Substrate, catalyst, and solvent: the triune nature of multitasking reagents in hydroboration and cyanosilylation}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {APR}, pages = {1104-1112}, type = {Article}, abstract = {

A truly green chemical process would avoid the use of an external catalyst, while still achieving high efficiency. This has been realized in the very recent past for hydroboration, cyanosilylation, acetalization, and the aza-Michael addition, among other reactions. The current combined computational and experimental study unlocks the secret to how this highly desirable outcome is accomplished: one of the reactants in the process also acts as the catalyst. Specifically, this is shown (i) for the important hydroboration reaction, with pinacolborane (HBpin) as the hydroborating reagent and benzaldehyde, acetophenone, benzoic acid and p-methoxyphenylacetylene as the hydroborated substrates, and (ii) for cyanosilylation, with trimethylcyanosilane (TMSCN) as the cyanosilylating agent and benzaldehyde as the substrate. The mechanistic understanding thus gained has then been further exploited experimentally to bring hydroboration and cyanosilylation closer to experimental conditions in catalysis. These insights can potentially be expanded to the rapidly growing area of solvent-free and internal catalyst chemistry.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00070}, author = {Dixit, Ruchi and Bisai, Milan Kumar and Yadav, Sandeep and Yadav, Vinita and Sen, Sakya S. and Vanka, Kumar} } @article {47091, title = {Sulfonic acid-functionalized heterogeneous catalytic materials for efficient biodiesel production: a review}, journal = {Journal of Environmental Chemical Engineering}, volume = {9}, year = {2021}, month = {FEB}, pages = {104719}, type = {Review}, abstract = {

The development of social productive forces leads to the increasing consumption of fossil fuels. However, the burning of traditional fossil fuels releases huge amounts of carbon emissions into the atmosphere, resulting in drastically increased global surface temperatures, and hence, global warming and abnormal climate change. Biodiesel, which can be produced by (trans)esterification of bio-oils using solid acid catalysts, is recognized as renewable and clean energy, alternative to fossil-derived diesel, and it can meet society{\textquoteright}s requirements. This review describes the catalytic conversion of bio-derived oils into biodiesel using various sulfonic acid-functionalized heterogeneous catalytic materials that show higher catalytic efficiency and superior recyclability. Besides, various methods of biodiesel preparation and the appropriate design and preparation of robust and efficient catalytic materials for biodiesel production were provided. Finally, the mechanisms of different catalytic esterification and transesterification reactions for biodiesel synthesis, the relevant reaction kinetic models, and techno-economic analysis of biodiesel production were critically discussed in this review.

}, keywords = {(Trans)esterification, Biodiesel, heterogeneous catalysis, kinetic study, solid acid}, doi = {10.1016/j.jece.2020.104719}, author = {Tan, Xiang and Sudarsanam, Putla and Tan, Jinyu and Wang, Anping and Zhang, Heng and Li, Hu and Yang, Song} } @article {47443, title = {Supercapacitive performance of SILAR grown Mn3O4 nanoclusters: effect of cationic precursor concentration}, journal = {Chinese Journal of Physics}, volume = {72}, year = {2021}, month = {AUG}, pages = {145-158}, type = {Article}, abstract = {

Herein, we have investigated the effect of cationic precursor (manganese chloride tetrahydrate) concentration on the electrochemical performance of successive ionic layer adsorption and reaction (SILAR)-deposited Mn3O4\ thin films. The concentration of the cationic precursor was varied from 0.05 to 0.15 M, and its effect on physicochemical and electrochemical properties was studied. X-ray diffraction and X-ray photoelectron spectroscopy analyses confirmed that Mn3O4\ has a tetragonal structure with Mn2+\ and Mn3+\ oxidation states. SEM micrographs revealed that nanoclusters of Mn3O4\ with an average size of ~200 nm were formed. Moreover, transmission electron microscopy analysis revealed that these nanoclusters were formed from tiny square nanoplates with a size of ~40 nm. Electrochemical studies of the synthesized Mn3O4\ thin films were recorded in a three-electrode system, which suggests that 0.1 M cationic precursor concentration has a good electrochemical signature with a specific capacitance of 470 F/g at 1 mA/cm2\ current density in 1 M Na2SO4\ aqueous electrolyte. The cyclic stability offered was appreciable, with capacitive retention of 75\% up to 10,000 CV cycles scanned at 100 mV/s. The charge storage kinetics of the SILAR-grown Mn3O4\ thin film were investigated. With systematic study we concluded that, the molarity of the cationic precursor plays a vital role in the porosity and microstructure which drastically affects the electrochemical performance.

}, doi = {10.1016/j.cjph.2021.03.028}, author = {Beknalkar, S. A. and Teli, A. M. and Harale, N. S. and Patil, D. S. and Sutar, J. R. and Shin, J. C. and Patil, P. S.} } @article {47753, title = {Supported MoOx and WOx solid acids for biomass valorization: interplay of coordination chemistry, acidity, and catalysis}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {NOV}, pages = {13603-13648}, type = {Article}, abstract = {Supported molybdenum oxide (MoOx) and tungsten oxide (WOx) materials are a vital class of solid acid catalysts for the chemical industry because of their nontoxic nature, strong acidity, remarkable stability in water, hydrogen, and oxygen atmospheres, and excellent reusability performance. These fascinating solid acids play a pivotal role in developing sustainable catalytic routes for renewable biomass processing to produce value-added fuels, chemicals, and platform molecules. The coordination chemistry of MoOx and WOx on the support materials (oxides, carbons, or zeolites) controls their acidic strength, active site accessibility, and catalytic activity. Hence, significant efforts have been made toward optimizing the conditions used for catalyst synthesis and biomass processing to tune the coordination chemistry of MoOx and WOx with the substrate molecules and, thus, their acid-activity/selectivity performance. This Review provides a comprehensive overview of supported MoOx and WOx solid acids for biomass valorization. The importance of the biomass and the role of solid acids for biomass valorization were emphasized, followed by a brief discussion of supported MoOx and WO(x )solid acids. Afterward, the interplay of coordination chemistry, acidic strength, and catalytic activity of supported MoOx and WOx solid acids was discussed. Finally, their catalytic applications for the valorization of several biomass substrates and their derivatives were summarized. This Review will provide valuable insights for developing advanced supported WOx and MoOx solid acids for catalytic biomass valorization and other challenging acid-catalyzed processes.}, keywords = {Acidity, biomass valorization, catalysis, Coordination chemistry, molybdenum oxide, tungsten oxide}, issn = {2155-5435}, doi = {10.1021/acscatal.1c03326}, author = {Sudarsanam, Putla and Gupta, Navneet Kumar and Mallesham, Baithy and Singh, Nittan and Kalbande, Pavan Narayan and Reddy, Benjaram M. and Sels, Bert F.} } @article {47075, title = {SWATH-MS based quantitative proteomics analysis to evaluate the antileishmanial effect of Commiphora wightii- Guggul and amphotericin B on a clinical isolate of Leishmania donovani (vol 223, 103800, 2020)}, journal = {Journal of Proteomics}, volume = {232}, year = {2021}, month = {FEB }, type = {Correction}, abstract = {

Drug resistance and relapse after treatment of visceral leishmaniasis (VL) with the chemotherapeutic drugs has impeded the VL elimination programme especially, in the endemic region of Bihar, India. Currently, Antimonials (Sbv) have been rendered obsolete (Bihar) as frequent treatment failure and relapse in Sbv treated patient{\textquoteright}s warrants greater vigilance and attention to the limited drugs. A clinical isolate of L.donovani obtained from an Amphotericin B (AmB) relapse patient was evaluated for its susceptibility to AmB and a hyperlipidemic drug Guggul. The evaluation of susceptibility or resistance to any drug still relies on in vitro assay on promastigote and amastigote stages of Leishmania spp. as there are no validated markers which can ascertain drug resistance in Leishmania. The anti-promastigote effect of AmB and Guggul were demonstrated by significant cellular and morphological changes exhibiting apoptosis-mediated cell death. To further illustrate the molecular mechanism of the parasite{\textquoteright}s response upon exposure to either AmB and Guggul, sequential window acquisition of all theoretical fragment ion spectra mass spectrometry (SWATH-MS) for quantitative proteomics analysis was performed along with computational data analysis; revealing considerable differences in the proteome profiles which could be regarded as putative markers for resistance or drug targets for development of therapeutic antileishmanials.

}, issn = {1874-3919}, doi = {10.1016/j.jprot.2020.104017}, author = {Routaray, Chinmayee Bar and Bhor, Renuka and Bai, Shakuntala and Kadam, Nitin Suryakant and Jagtap, Surabhi and Doshi, Pooja Jignesh and Sundar, Shyam and Sawant, Sangeeta and Kulkarni, Mahesh J. and Pai, Kalpana} } @article {47740, title = {Synergistic electronic coupling/cross-talk between the isolated metal halide units of zero dimensional heterometallic (Sb, Mn) halide hybrid with enhanced emission}, journal = {Journal of Materials Chemistry C}, volume = {10}, year = {2021}, month = {DEC }, pages = {360-370}, type = {Article}, abstract = {Heterometallic 0D metal halide hybrids, consisting of more than one kind of metal halide units, are anticipated to manifest synergistic effects on the photo-physical properties of the constituent metal halide units. Such architectures hold great promise for design and development of function-targeted materials. However, heterometallic 0D hybrids, featuring isolated metal halide units, typically do not show any synergistic effects due to large inter-unit spatial separations that inhibit interactions/coupling between the constituent metal halide units. It remains challenging to design synthetic strategies that would support structural modifications to allow synergistic electronic coupling between the metal halide units in heterometallic 0D hybrids. Here, we report synthesis and characterization of heterometallic (Sb, Mn) 0D hybrid, namely Tris SbMnCl, with isolated MnCl5 units, (Sb/Mn)Cl-6 units, dispersed in the organic ligand matrix and layer of dynamic and networked water molecules. Steady state and time resolved emission spectra (TRES) analysis suggests strong synergistic interaction between the isolated metal halide units. Efficient energy transfer from the strongly absorbing Sb centres to emissive Mn centres results in the observed enhanced emission. Proton conductivity measurements together with first-principles calculations suggest the unique role of the networked water molecules in mediating the electronic coupling/energy transfer between the separated metal halide units in Tris SbMnCl hybrid. This report highlights the role of structure/composition of the synthesized heterometallic 0D hybrid in attaining electronic dimensionality higher than 0D through synergistic electronic interaction between the isolated metal halide units.}, issn = {2050-7526}, doi = {10.1039/d1tc04704c}, author = {Biswas, Anupam and Bakthavatsalam, Rangarajan and Das, Deep K. and Sam, Jisvin and Mali, Bhupendra P. and Biswas, Chinmoy and Maana, Narugopal and Thomson, Stuart and Raavi, Sai Santosh Kumar and Kurungot, Sreekumar and Gonnade, Rajesh G. and Dutta, Sudipta and Kundu, Janardan} } @article {47057, title = {Synergistic nanostructured MnOx/TiO2 catalyst for highly selective synthesis of aromatic imines}, journal = {ChemCatChem}, volume = {13}, year = {2021}, month = {APR}, pages = {1990-1997}, type = {Article}, abstract = {

This work reports the development of a synergistic nanostructured MnOx/TiO2 catalyst, with highly dispersed MnOx nanoparticles (4.5 +/- 1 nm) on shape-controlled TiO2 nanotubes (8-11 nm width and 120-280 nm length), for selective synthesis of valuable aromatic imines at industrially important conditions. Pristine TiO2 nanotubes exhibited 97 \% imine selectivity at a 38.3 \% benzylamine conversion, whereas very low imine selectivity was obtained over commercial TiO2 materials, indicating the catalytic significance of shape-controlled TiO2 nanotubes. The MnOx nanoparticle/TiO2 nanotube (10 wt\% Mn) catalyst calcined at 400 degrees C showed the best activity with 95.6 \% benzylamine conversion and 99.9 \% imine selectivity. This catalyst exhibited good recyclability for four times and is effective for converting numerous benzylamines into higher yields of imines. The high catalytic performance of MnOx/TiO2 nanotubes was attributed to higher number of redox sites (Mn3+), high dispersion of Mn species, and shape-controlled structure of TiO2, indicating that this catalyst could be a promising candidate for selective oxidation reactions.

}, keywords = {Acid-redox properties, aerobic oxidation, Nanostructured catalyst, Selective catalysis, Synergistic metal-oxide interaction}, issn = {1867-3880}, doi = {10.1002/cctc.202001870, Early Access Date = FEB 2021}, author = {Sudarsanam, Putla and Kockritz, Angela and Atia, Hanan and Amin, Mohamad Hassan and Bruckner, Angelika} } @article {47724, title = {Synthesis and application of silylene-stabilized low-coordinate Ag(I)-arene cationic complexes}, journal = {Organometallics}, volume = {40}, year = {2021}, month = {JUN }, pages = {1626-1632}, type = {Article}, abstract = {We report the first examples of N-heterocyclic silylene-stabilized monocoordinate Ag(I) cationic complexes weakly bound to the free arene rings (C6H6, C6Me6, and C7H8). Further, the application of these electrophilic Ag(I) complexes as catalysts has been investigated toward A(3)-coupling reactions, which afforded a series of propargylamines in good to excellent yields with low catalyst loading under a solvent-free condition (19 examples).}, issn = {0276-7333}, doi = {10.1021/acs.organomet.1c00083}, author = {Parvin, Nasrina and Sen, Nilanjana and Tothadi, Srinu and Muhammed, Shahila and Parameswaran, Pattiyil and Khan, Shabana} } @article {47699, title = {Synthesis and biological evaluation of hoshionolactam-based compounds}, journal = {European Journal of Organic Chemistry}, volume = {2021}, year = {2021}, month = {APR }, pages = {2212-2218}, type = {Article}, abstract = {In search of novel antitrypanosomal agents based on hoshinolactam (IC50=3.9 nM), we disclose the synthesis and biological evaluations of 14 different analogues of the natural product using combinations of different acids and lactams. Antitrypanosomal activity assays revealed that the synthesized analogues were less potent than the parent natural product.}, keywords = {Hoshinolactam, Ozonolysis, Parasitic diseases, Trypanosoma}, issn = {1434-193X}, doi = {10.1002/ejoc.202001588}, author = {Jachak, Gorakhnath R. and Elizebath, Drishya and Shukla, Anurag and Shanmugam, Dhanasekaran and Reddy, D. Srinivasa} } @article {47108, title = {Synthesis and cell imaging applications of fluorescent mono/di/tri-heterocyclyl-2,6-dicyanoanilines (vol 27, pg 979, 2017)}, journal = {Bioorganic \& Medicinal Chemistry Letters}, volume = {32}, year = {2021}, month = {JAN }, pages = {127737}, type = {Correction}, issn = {0960-894X}, doi = {10.1016/j.bmcl.2020.127737}, author = {Pisal, Mahesh M. and Annadate, Ritesh A. and Athalye, Meghana C. and Kumar, Deepak and Chavan, Subhash P. and Sarkar, Dhiman and Borate, Hanumant B.} } @article {47723, title = {Synthesis, crystal structures, dielectric and magnetic properties of manganese sulfonyldibenzoates}, journal = {Crystengcomm}, volume = {23}, year = {2021}, month = {OCT }, pages = {6703-6723}, type = {Article}, abstract = {{A systematic investigation of the system manganese(II) salt-H(2)SBA-auxiliary ligand-solvent successfully led to the isolation of six new multidimensional coordination polymers: [Mn-5(2-pic)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (1), [Mn-3(pyzc)(2)(DMF)(H2O)(SBA)(2)]center dot DMF center dot H2O (2), [Mn-5(pyzc)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (3), [Mn-5(mpyzc)(2)(DMA)(4)(SBA)(4)]center dot 4DMA (4), [Mn-2(phen)(2)(H2O)(SBA)(2)]center dot 2DMA (5) and [Mn-3(phen)(2)(SBA)(3)]center dot 5DMF (6), where SBA = 4,4{\textquoteright}-sulfonyldibenzoate 2-pic = 2-picolinate}, doi = {10.1039/d1ce00810b}, author = {Balendra and Singh, Bharti and Banday, Azeem and Tewari, Shailabh and Kumar, Vineet and Murugavel, Sevi and Joy, P. A. and Ramanan, Arunachalam} } @article {47657, title = {Synthesis of anisotropic rod-like gold nanostructures in organic media (vol 133, 106, 2021)}, journal = {Journal of Chemical Sciences}, volume = {133}, year = {2021}, month = {DEC}, pages = {120}, type = {Correction}, issn = {0974-3626}, doi = {10.1007/s12039-021-01992-5}, author = {Prasad, V. Bhagavatula L. and Sivasankaran, Prathap Chandran and Patel, Pitambar and Malekar, V. Pushpa and Maya, V. K. and Ramana, V. Chepuri} } @article {47658, title = {Synthesis of anisotropic rod-like gold nanostructures in organic media}, journal = {Journal of Chemical Sciences}, volume = {133}, year = {2021}, month = {DEC}, pages = {106}, type = {Article}, abstract = {Synthesis of anisotropic rod-like gold nanostructures was carried out in chloroform employing a modified ascorbic acid derivative as a reducing agent in the presence and absence of seed particles. The seed particles and/or the chloroaurate ions were phase transferred to the organic media using n-octadecyl amine. High-resolution transmission electron microscopy analysis clearly revealed that the anisotropic structures are single crystalline in nature. The stabilization of certain crystallographic faces of anisotropic gold nanostructures by amines is invoked to explain the formation of these structures.}, issn = {0974-3626}, doi = {10.1007/s12039-021-01952-z}, author = {Prasad, V, Bhagavatula L. and Sivasankaran, Prathap Chandran and Patel, Pitambar and Malekar, V, Pushpa and Maya, V, K. and Ramana, V, Chepuri} } @article {47605, title = {Synthesis of four diastereomers of notoryne and their C-13 NMR chemical shifts analysis}, journal = {Journal of Chemical Sciences}, volume = {133}, year = {2021}, month = {SEP}, pages = {76}, type = {Article}, abstract = {In this manuscript we document the details of the synthesis of four diastereomers of notoryne. The synthesis of one of the diastereomer having a similar relative stereochemistry of substituents on the both THF rings like notoryne, however, being the relative stereochemistry between the bridging carbon of these two THF units is changed from anti to syn has been executed mainly to learn how the ring carbon chemical shifts vary with this change. Interestingly, the deviations are found mainly for the carbons of THF ring that bears the Br-group. In addition to this isomer, three more diastereomers having the relative stereochemistry of substituents on either of the THF rings varied have been also synthesized. All four diastereomers have been subjected for extensive NMR studies and their C-13 NMR chemical shifts have been compared with notoryne and laurendecumenyne B. In addition, chemical shifts for the four diastereomers along with these natural products were calculated with the help of DFT calculations and compared to the experimentally obtained chemical shift values.}, issn = {0974-3626}, doi = {10.1007/s12039-021-01929-y}, author = {Senapati, Sibadatta and Das, Shyamsundar and Dixit, Ruchi and Vanka, Kumar and Ramana, V, Chepuri} } @article {47316, title = {Synthesis of gold and silver nanoparticles using Phlogacanthus Thyrsiformis extracts-its phytochemical screening and anti-oxidant studies}, journal = {Materials Today-Proceedings}, volume = {43}, year = {2021}, month = {JAN}, pages = {2805-2809}, type = {Proceedings Paper}, abstract = {

Phlogacanthus Thyrsiformis is a shrub belonging to the Acanthaceae family, normally found in the northeastern parts of India, Nepal, Burma, Indo-Chinese region and Indonesia. It is used as a cure for diarrhoea, dysentery, cholera, burns, boils, high blood pressure, sprains and body pains. Silver and gold nanoparticles were synthesized from the extracts of the leaves of this plant as the some biomolecules, known as secondary metabolites, present in plant extracts can be used to reduce metal ions to nanoparticles. The contents of the leaves were extracted in various solvents and the tests for the presence of secondary metabolites were carried out. The gold and silver nanoparticles synthesized using the plant extracts and characterized using TEM, SEM techniques and the phytochemical screening tests were done for different extracts. The anti-oxidant studies of the several extracts were carried out. (C) 2020 Elsevier Ltd. All rights reserved.

}, keywords = {Anti-oxidant studies, Nanoparticles, Phligacanthus thyrsiformis, Phytochemical Studies, Secondary metabolites}, issn = {2214-7853}, doi = {10.1016/j.matpr.2020.08.798}, author = {Singh, Avinash Thounaojam and Shaikh, Iqbal N. and Rale, Madhura Vijay} } @article {47372, title = {Synthesis of graphene from activated carbon at liquid nitrogen temperature and its detailed structural analysis}, journal = {Applied Physics A-Materials Science \& Processing}, volume = {127}, year = {2021}, month = {MAY}, pages = {319}, type = {Article}, abstract = {

The present study deals with the synthesis of graphene using thermal quenching of pre-heated activated carbon (a-C) (1370 K for 3 h) at liquid nitrogen temperature and its detailed structural analysis using XRD, TEM, FTIR and Raman spectroscopy. The analysis of lattice parameters (L-a, L-c,L- and d) of constituent nanographitic domains using XRD shows restoration of graphene-like structure in the resultant product (a-CL). TEM image reveals porosity and partially crystallinity (from SAED) in a-C. While thin layers of graphene are observed in the TEM images of a-CL Deconvoluted Raman spectra have been used to investigate the evolution of crystalline behaviour of a-C with temperature in view of Ferrari and Robertson{\textquoteright}s three-stage model. The evolution of G peak and increase in I-D/I-G reveals restoration of crystallinity in a-CL. The development of the D peak indicates disordering of graphite but ordering of amorphous carbon. The reported method is technologically beneficial for graphene synthesis for large number of applications such as supercapacitors, H-2 storage, gas separation and purification.

}, keywords = {activated carbon, Amorphous carbon, graphene, H-2 storage applications, Raman spectroscopy, Supercapacitors}, issn = {0947-8396}, doi = {10.1007/s00339-021-04416-w}, author = {Sharma, Preeti and Sharma, Geeta and Punia, Rajesh} } @article {47692, title = {Synthesis of new 2-(thiazol-4-yl)thiazolidin-4-one derivatives as potential anti-mycobacterial agents}, journal = {Bioorganic Chemistry}, volume = {115}, year = {2021}, month = {OCT}, pages = {105192}, type = {Article}, abstract = {To search for potent antimycobacterial lead compounds, a new series of 3-substituted phenyl-2-(2-(substituted phenyl)thiazol-4-yl) thiazolidin-4-one (5a-t) derivatives have been synthesized by the condensation of 2 substituted phenyl thiazole-4-carbaldehyde with aromatic amine followed by cyclocondensation with thioglycolic acid. The structure of the newly synthesized 2-(thiazol-4-yl)thiazolidin-4-one derivatives were characterized by the spectroscopic analysis. The synthesized compounds were screened for antimycobacterial activity against Mycobacterium tuberculosis H37Ra (MTB) (ATCC 25177) and Mycobacterium bovis BCG (BCG, ATCC 35743). Most of the 2-(thiazol-4-yl)thiazolidin-4-one derivatives showed good to excellent antimycobacterial activity against both the Mtb strains. Nine derivatives 5c, 5g, 5j, 5m, 5n, 5o, 5p, 5s, and 5t showed excellent activity against M. bovis BCG with MIC 4.43 to 24.04 mu M were further evaluated for the cytotoxicity activity against HeLa A549, and HCT-116 cell lines and showed no significant cytotoxic activity at the maximum concentration evaluated. The potential antimycobacterial activities enforced that the thiazolyl-thiazolidin-4-one derivatives could lead to compounds that could treat tuberculosis.}, keywords = {Cytotoxicity, Mycobacterium tuberculosis, Thiazole, Thiazolidin-4-one}, issn = {0045-2068}, doi = {10.1016/j.bioorg.2021.105192}, author = {Abhale, Yogita K. and Shinde, Abhijit and Shelke, Monika and Nawale, Laxman and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {47400, title = {Synthetic heparan sulfate ligands for vascular endothelial growth factor to modulate angiogenesis}, journal = {Chemical Communications}, volume = {57}, year = {2021}, month = {APR }, pages = {3516-3519}, type = {Article}, abstract = {

We report the discovery of a potential heparan sulfate (HS) ligand to target several growth factors using 13 unique HS tetrasaccharide ligands. By employing an HS microarray and SPR, we deciphered the crucial structure-binding relationship of these glycans with the growth factors BMP2, VEGF(165), HB-EGF, and FGF2. Notably, GlcNHAc(6-O-SO3-)-IdoA(2-O-SO3-) (HT-2,6S-NAc) tetrasaccharide showed strong binding with the VEGF(165) growth factor. In vitro vascular endothelial cell proliferation, migration and angiogenesis was inhibited in the presence of VEGF(165) and HT-2,6S-NAc or HT-6S-NAc, revealing the potential therapeutic role of these synthetic HS ligands.

}, issn = {1359-7345}, doi = {10.1039/d1cc00964h}, author = {Jain, Prashant and Shanthamurthy, Chethan D. and Leviatan Ben-Arye, Shani and Yehuda, Sharon and Nandikol, Sharvani S. and Thulasiram, V, Hirekodathakallu and Padler-Karavani, Vered and Kikkeri, Raghavendra} } @article {47597, title = {Tandem acceptorless dehydrogenative coupling-decyanation under nickel catalysis}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {JUN}, pages = {7552-7562}, type = {Article}, abstract = {The development of new catalytic processes based on abundantly available starting materials by cheap metals is always a fascinating task and marks an important transition in the chemical industry. Herein, a nickel-catalyzed acceptorless dehydrogenative coupling of alcohols with nitriles followed by decyanation of nitriles to access diversely substituted olefins is reported. This unprecedented C=C bond-forming methodology takes place in a tandem manner with the formation of formamide as a sole byproduct. The significant advantages of this strategy are the low-cost nickel catalyst, good functional group compatibility (ether, thioether, halo, cyano, ester, amino, N/O/S heterocycles; 43 examples), synthetic convenience, and high reaction selectivity and efficiency.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c00592}, author = {Midya, Siba P. and Subaramanian, Murugan and Babu, Reshma and Yadav, Vinita and Balaraman, Ekambaram} } @article {47629, title = {Thermal stability of an endohedrally doped aluminum nanoclusters: a BOMD study}, journal = {Theoretical Chemistry Accounts}, volume = {140}, year = {2021}, month = {SEP}, pages = {132}, type = {Article}, abstract = {In this article, thermal stability of doped Al-13 nanoclusters has been systematically investigated within the framework of density functional theory (DFT). To explain thermal stability, simulations have been carried out over a temperature range from 300 to 1100 K using Born-Oppenheimer molecular dynamics (BOMD). The atomic displacements have been quantified by calculating delta(rms,) MSD and epsilon(pro.) The thermal stability of different clusters is explained using underlined electronic properties such as HOMO-LUMO, charges and bond length.}, keywords = {BOMD, Bond length fluctuations, Endohedral doping, Mean squared ionic displacements (MSD), Nanoclusters, Root mean squared}, issn = {1432-881X}, doi = {10.1007/s00214-021-02829-7}, author = {Singh, Chandrodai Pratap and Samal, Pragnya Paramita and Krishnamurty, Sailaja} } @article {47690, title = {Three in one: triple G-C-T base-coded brahma nucleobase amino acid: synthesis, peptide formation, and structural features}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {NOV }, pages = {15689-15694}, type = {Article}, abstract = {This note reports the synthesis and peptide formation of a novel triple G-C-T nucleobase amino acid (NBA) building block featuring three recognition faces: DDA (G mimic), DAA (C mimic), and ADA (T mimic). Readily obtainable in multigram scale in a remarkably easy one-step reaction, this unique NBA building block offers scope for wide ranging applications for nucleic acid recognition and nucleic acid peptide/protein interaction studies.}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c01228}, author = {Wagh, Mahendra A. and Maity, Rahul and Bhosale, Rohit J. and Semwal, Divyam and Tothadi, Srinu and Vaidhyanathan, Ramanathan and Sanjayan, Gangadhar J.} } @article {47623, title = {Towards sustainable continuous production of azo dyes: possibilities and techno-economic analysis}, journal = {Green Chemistry}, volume = {23}, year = {2021}, month = {SEP }, pages = {6614-6624}, type = {Article}, abstract = {A novel continuous process for synthesizing azo dyes using a bubble column reactor is reported. Continuous experiments were successfully performed for Sudan-I dye and Solvent Yellow 16 dye with a yield [and productivity] of 92.04 +/- 3.50\% [1.68 +/- 0.13 kg day(-1)] and 96.60 +/- 2.18\% [1.92 +/- 0.04 kg day(-1)], respectively. Experiments were performed at a higher slurry concentration similar to 5\% (w/w) without any clogging. The results were extended for performing a detailed techno-economic analysis for 5 TPD Sudan-I azo dye production as a case study. The results indicate that the cost of the continuous process is almost 4.68 times lower than that of the corresponding batch process. Furthermore, the footprint for a continuous plant can be lowered by 2.4 to 4.5 times when compared to the batch process depending on different refilling strategies for feed storage tanks. A continuous process may require 39-42\% less water than the industrial batch process.}, issn = {1463-9262}, doi = {10.1039/d1gc01133b}, author = {Shukla, Chinmay A. and Kute, Mahesh S. and Kulkarni, Amol A.} } @article {47604, title = {Transition of a deep eutectic solution to aqueous solution: a dynamical perspective of the dissolved solute}, journal = {Journal of Physical Chemistry Letters}, volume = {12}, year = {2021}, month = {SEP}, pages = {8784-8789}, type = {Article}, abstract = {Disruption of the deep eutectic solvent (DES) nanostructure around the dissolved solute upon addition of water is investigated by polarization-selective two-dimensional infrared spectroscopy and molecular dynamics simulations. The heterogeneous DES nanostructure around the solute is partially retained up to 41 wt \% of added water, although water molecules are gradually incorporated in the solute{\textquoteright}s solvation shell even at lower hydration levels. Beyond 41 wt \%, the solute is observed to be preferentially solvated by water. This composition denotes the upper hydration limit of the deep eutectic solvent above which the solute senses an aqueous solvation environment. Interestingly, our results indicate that the transition from a deep eutectic solvation environment to an aqueous one around the dissolved solute can happen at a hydration level lower than that reported for the {\textquoteleft}{\textquoteleft}water in DES{\textquoteright}{\textquoteright} to {\textquoteleft}{\textquoteleft}DES in water{\textquoteright}{\textquoteright} transition.}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.1c02118}, author = {Sakpal, Sushil S. and Deshmukh, Samadhan H. and Chatterjee, Srijan and Ghosh, Deborin and Bagchi, Sayan} } @article {47064, title = {Triazine-based janus G-C nucleobase as a building block for self-assembly, peptide nucleic acids, and smart polymers}, journal = {Journal of Organic Chemistry}, volume = {86}, year = {2021}, month = {FEB }, pages = {3186-3195}, type = {Article}, abstract = {

This communication reports on the utility of a triazine-based self-assembling system, reminiscent of a Janus G-C nucleobase, as a building block for developing (1) supramolecular polymers, (2) peptide nucleic acids (PNAs), and (3) smart polymers. The strategically positioned self-complementary triple H-bonding arrays DDA and AAD facilitate efficient self-assembly, leading to a linear supramolecular polymer.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c02530}, author = {Meena, Chhuttan L. and Singh, Dharmendra and Kizhakeetil, Bhavya and Prasad, Manasa and George, Malini and Tothadi, Srinu and Sanjayan, Gangadhar J.} } @article {47670, title = {Ultrasound assisted curcumin recovery from Curcuma aromatica: understanding the effect of different operating parameters}, journal = {Chemical Engineering and Processing-Process Intensification}, volume = {169}, year = {2021}, month = {DEC}, pages = {108604}, type = {Article}, abstract = {The present study deals with intensified extraction of curcumin from Curcuma aromatica by employing ultrasound-assisted extraction (UAE) approach also elucidating comparison with the conventional batch extraction to highlight the intensification benefits based on the usage of ultrasound. Understanding into the effect of operational parameters like type of solvent, extraction temperature, solid to solvent ratio and raw material size distribution as well as the equipment operating conditions as frequency and power on the extraction yield has been developed. Based on the results for extraction yield, the optimum conditions for UAE approach were 40 degrees C as temperature, 1:30 as solid to solvent ratio, 0.09 mm as the mean particle size, 240 W as ultrasonic power, 22 kHz as ultrasonic frequency and ethanol as the most suitable solvent. Under these optimum conditions, the highest extraction yield of 73.18\% was achieved in 2 h whereas batch extraction for 14 h resulted in 52.31\% yield clearly demonstrating the intensification due to ultrasound. Peleg{\textquoteright}s model was applied to explain the extraction kinetics of curcumin and the proposed model satisfactorily predicted the rates of extraction of cur cumin. Overall, UAE proved to be a better technique in terms of lesser time, lesser heating requirement and additional extraction yield.}, keywords = {Cavitation, Curcuma aromatica, curcumin, Intensification, Kinetic modelling, Ultrasound assisted extraction}, issn = {0255-2701}, doi = {10.1016/j.cep.2021.108604}, author = {Shirsath, Sachin R. and Sable, Sunil S. and Gaikwad, Shashank G. and Gogate, Parag R.} } @article {47036, title = {Unactivated alkyl halides in transition-metal-catalyzed C-H bond alkylation}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {MAR }, pages = {3268-3292}, type = {Review}, abstract = {

Alkylation represents an important organic transformation in molecular science to develop privileged alkylated arenes and heteroarenes. Especially, the direct C-H bond alkylation using unactivated alkyl halides is a straightforward and attractive approach from both the step-economy and chemoselectivity perspectives. Substantial progress has been made in the direct alkylation using primary, secondary, and tertiary alkyl halides along with the methylation and fluoroalkylation. This Review broadly summarizes the transition-metal-catalyzed alkylations of C-H bonds on various arenes and heteroarenes with unactivated alkyl halides until October 2020. On the basis of the substrates utilized for alkylation, the Review is divided into two major sections: alkylation of arenes and alkylation of heteroarenes.

}, keywords = {(hetero)arenes, Alkylation, C-H activation, transition metals, unactivated alkyl halides}, issn = {2155-5435}, doi = {10.1021/acscatal.0c05580}, author = {Ankade, Shidheshwar B. and Shabade, Anand B. and Soni, Vineeta and Punji, Benudhar} } @article {47046, title = {Unbiased phenotype-based screen identifies therapeutic agents selective for metastatic prostate cancer}, journal = {Frontiers in Oncology}, volume = {10}, year = {2021}, month = {MAR }, pages = {594141}, type = {Article}, abstract = {

In American men, prostate cancer is the second leading cause of cancer-related death. Dissemination of prostate cancer cells to distant organs significantly worsens patients{\textquoteright} prognosis, and currently there are no effective treatment options that can cure advanced-stage prostate cancer. In an effort to identify compounds selective for metastatic prostate cancer cells over benign prostate cancer cells or normal prostate epithelial cells, we applied a phenotype-based in vitro drug screening method utilizing multiple prostate cancer cell lines to test 1,120 different compounds from a commercial drug library. Top drug candidates were then examined in multiple mouse xenograft models including subcutaneous tumor growth, experimental lung metastasis, and experimental bone metastasis assays. A subset of compounds including fenbendazole, fluspirilene, clofazimine, niclosamide, and suloctidil showed preferential cytotoxicity and apoptosis towards metastatic prostate cancer cells in vitro and in vivo. The bioavailability of the most discerning agents, especially fenbendazole and albendazole, was improved by formulating as micelles or nanoparticles. The enhanced forms of fenbendazole and albendazole significantly prolonged survival in mice bearing metastases, and albendazole-treated mice displayed significantly longer median survival times than paclitaxel-treated mice. Importantly, these drugs effectively targeted taxane-resistant tumors and bone metastases - two common clinical conditions in patients with aggressive prostate cancer. In summary, we find that metastatic prostate tumor cells differ from benign prostate tumor cells in their sensitivity to certain drug classes. Taken together, our results strongly suggest that albendazole, an anthelmintic medication, may represent a potential adjuvant or neoadjuvant to standard therapy in the treatment of disseminated prostate cancer.

}, keywords = {bone, carcinoma, drug-screen, Metastasis, Prostate}, issn = {2234-943X}, doi = {10.3389/fonc.2020.594141}, author = {Chung, Ivy and Zhou, Kun and Barrows, Courtney and Banyard, Jacqueline and Wilson, Arianne and Rummel, Nathan and Mizokami, Atsushi and Basu, Sudipta and Sengupta, Poulomi and Shaikh, Badaruddin and Sengupta, Shiladitya and Bielenberg, Diane R. and Zetter, Bruce R.} } @article {47365, title = {Unified approach for the total aynthesis of Bis-THF C-15 acetogenins: a chloroenyne from laurencia majuscula, laurendecumenyne B and laurefurenynes A/B}, journal = {Synthesis-Stuttgart}, year = {2021}, month = {MAY}, type = {Article; Early Access}, abstract = {

A highly diastereoselective total synthesis of several bis-THF C-15 acetogenin natural products, chloroenyne from Laurencia majuscula, laurendecumenyne B, and laurefurenyries A/B, is reported. Additionally the synthesis of an advanced intermediate reported in the earlier total synthesis of (E/Z)-elatenynes (formal synthesis) is described. The salient features in the synthesis include epoxide opening, Birch reduction, Sharpless asymmetric dihydroxylation-cycloetherification, S(N)2 halogenation, and a relay cross metathesis.

}, keywords = {bis-THF C-15 acetogenins, carbohydrate building block, relay-cross-metathesis, S(N)2 halogenation, Sharpless asymmetric dihydroxylation-cycloetherification}, issn = {0039-7881}, doi = {10.1055/a-1500-1407, Early Access Date = MAY 2021}, author = {Senapati, Sibadatta and Unmesh, Nivedya A. and Shet, Manoj N. and Ahmad, Iram and Ajikumar, Nandu and Ramana, Chepuri V.} } @article {47614, title = {Unified approach for the total synthesis of Bis-THF C-15 acetogenins: a chloroenyne from laurencia majuscula, laurendecumenyne B and laurefurenynes A/B}, journal = {Synthesis-Stuttgart}, volume = {53}, year = {2021}, month = {AUG }, pages = {2903-2910}, type = {Article}, abstract = {A highly diastereoselective total synthesis of several bis-THF C-15 acetogenin natural products, chloroenyne from Laurencia majuscula, laurendecumenyne B, and laurefurenyries A/B, is reported. Additionally the synthesis of an advanced intermediate reported in the earlier total synthesis of (E/Z)-elatenynes (formal synthesis) is described. The salient features in the synthesis include epoxide opening, Birch reduction, Sharpless asymmetric dihydroxylation-cycloetherification, S(N)2 halogenation, and a relay cross metathesis.}, keywords = {bis-THF C-15 acetogenins, carbohydrate building block, relay-cross-metathesis, S(N)2 halogenation, Sharpless asymmetric dihydroxylation-cycloetherification}, issn = {0039-7881}, doi = {10.1055/a-1500-1407}, author = {Senapati, Sibadatta and Unmesh, Nivedya A. and Shet, Manoj N. and Ahmad, Iram and Ajikumar, Nandu and Ramana, Chepuri V.} } @article {47654, title = {Unsymmetrical sp(2)-sp(3) disilenes}, journal = {Angewandte Chemie-International Edition}, volume = {60}, year = {2021}, month = {SEP }, pages = {20706-20710}, type = {Article}, abstract = {Disilenes with differently coordinated silicon atoms are not known. Here, we have shown the high yield synthesis of a range of disilenes (2-4 and 6) upon reaction of a hypersilyl silylene PhC(NtBu)(2)SiSi(SiMe3)(3) (1) with aliphatic chlorophosphines. The most striking characteristic of these disilenes is the presence of two differently coordinated Si atoms (one is three-coordinated, the other four-coordinated). The analogous reaction with Ph2PCl did not afford the desired disilene, but, surprisingly, led to the first tetraphosphinosilane (8). DFT calculations were performed to understand the bonding in disilenes and differences in reactivity of the complexes.}, keywords = {chlorophosphine, DFT, disilene, hypersilylsilylene}, issn = {1433-7851}, doi = {10.1002/anie.202107847}, author = {Bisai, Milan Kumar and Das, Tamal and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {47105, title = {Unveiling the roles of lattice strain and descriptor species on pt-like oxygen reduction activity in Pd-Bi catalysts}, journal = {ACS Catalysis}, volume = {11}, year = {2021}, month = {JAN}, pages = {800-808}, type = {Article}, abstract = {

A facile non-template-assisted mechanical ball milling technique was employed to generate a PdBi alloy catalyst. The induced lattice strain upon the milling time caused a shift of the d-band center, thereby enhancing the oxygen reduction reaction (ORR) catalytic activity. Additionally, the Pd-O reduction potential and adsorbed OH coverage used as descriptors stipulated the cause of the enhanced ORR activity upon the increased milling interval. Redox properties of surface Pd are directly correlated with a positive shift in the Pd-O reduction potential and OH surface coverage. Hence, by deconvoluting the lattice strain and the role of the descriptor species we achieved a catalyst system with a specific activity 5.4X higher than that of commercial Pt/C, as well as an improved durability. The experimental observation is well-corroborated by a theoretical simulation done by inducing strain to the system externally.

}, keywords = {charge-transfer, electrocatalysis, fuel cell, Lattice strain, oxygen reduction, Pt-like activity}, issn = {2155-5435}, doi = {10.1021/acscatal.0c03415}, author = {Sarkar, Shreya and Ramarao, S. D. and Das, Tisita and Das, Risov and Vinod, C. P. and Chakraborty, Sudip and Peter, Sebastian C.} } @article {47102, title = {Visible-light-induced controlled oxidation of N-substituted 1,2,3,4-tetrahydroisoquinolines for the synthesis of 3,4-dihydroisoquinolin-1(2h)-ones and isoquinolin-1(2H)-ones}, journal = {Advanced Synthesis \& Catalysis}, volume = {363}, year = {2021}, month = {MAR }, pages = {1390-1400}, type = {Article}, abstract = {

A visible light-rose bengal-TBHP mediated, controlled oxidation of N-substituted 1,2,3,4-tetrahydroisoquinolines is developed for the synthesis of 3,4-dihydroisoquinolin-1(2H)-ones and isoquinolin-1(2H)-ones. The present method feature{\textquoteright}s a broad substrate scope, good functional group tolerances, and the products were prepared in good to excellent yields. The developed methodology further demonstrated in the synthesis of isoindolo[2,1-b] isoquinolin-5(7H)-one (topoisomerase-I inhibitor).

}, keywords = {2, 3, 4-Dihydroisoquinolin-1(2H)-one, 4-tetrahydroisoquinolines, Isoquinolin-1(2H)-one, N-substituted 1, Oxidation, Photocatalysis}, issn = {1615-4150}, doi = {10.1002/adsc.202001266, Early Access Date = JAN 2021}, author = {Bansode, Ajay H. and Suryavanshi, Gurunath} } @article {47726, title = {Water mediated allosteric network in beta 2AR T164I variant modulates agonist binding affinity}, journal = {European Biophysics Journal with Biophysics Letters}, volume = {50}, year = {2021}, month = {JUL}, pages = {162}, type = {Meeting Abstract}, issn = {0175-7571}, author = {Nikte, Siddhanta V. and Sonar, Krushna and Tandale, Aditi and Sengupta, Durba and Joshi, Manali} } @article {47403, title = {Wittig reactions of maleimide-derived stabilized ylides with alkyl pyruvates: concise approach to methyl ester of (+/-)-chaetogline A}, journal = {Synthesis-Stuttgart}, volume = {53}, year = {2021}, month = {APR }, type = {Article}, abstract = {

A facile synthesis of methyl ester of chaetogline A is reported starting from the corresponding methyl 1-methyltryptophanate-derived- maleimide. A stereoselective Wittig olefination with a carbonyl function in methyl pyruvate followed by phosphorous pentoxide-induced- regioselective dehydrative cyclization are the essential reactions. An acid-induced thermodynamically driven stereoselective beta- to alpha-position migration of the exocyclic C=C bond unit in ethyl tetrahydroindolizinoindolylidenepropanoate is described.

}, keywords = {Amino acid, chaetogline A, dehydrative cyclization, maleimide, methyl pyruvate, Natural product, Wittig reaction}, issn = {0039-7881}, doi = {10.1055/a-1477-6043, Early Access Date = APR 2021}, author = {Shelar, Santosh V. and Argade, Narshinha P.} } @article {47828, title = {Wittig reactions of maleimide-derived stabilized ylides with alkyl pyruvates: concise approach to methyl ester of ({\textpm})-chaetogline A}, journal = {Synthesis}, volume = {53}, year = {2021}, month = {APR}, pages = {2897{\textendash}2902}, type = {Article}, abstract = {A facile synthesis of methyl ester of chaetogline A is reported starting from the corresponding methyl 1-methyltryptophanate-derived- maleimide. A stereoselective Wittig olefination with a carbonyl function in methyl pyruvate followed by phosphorous pentoxide-induced- regioselective dehydrative cyclization are the essential reactions. An acid-induced thermodynamically driven stereoselective β- to α-position migration of the exocyclic C=C bond unit in ethyl{\textellipsis} }, doi = {10.1055/A-1477-6043}, author = {Argade, Narshinha P. and Shelar, Santosh V.} } @article {47456, title = {Zinc-air batteries catalyzed using Co3O4 nanorod-supported N-doped entangled graphene for oxygen reduction reaction}, journal = {ACS Applied Energy Materials}, volume = {4}, year = {2021}, month = {MAY }, pages = {4570-4580}, type = {Article}, abstract = {

The work reported here deals with the development of an efficient non-platinum electrocatalyst for electrochemical oxygen reduction reaction (ORR) through a sequential pathway involving hydrothermal treatment followed by freeze-drying to build the desired structural architecture of the catalyst. The designed catalyst (Co3O4/nitrogen-doped entangled porous 3D graphene (NEGF)), which contains Co3O4 nanorods anchored on the surface of three-dimensional (3D)-structured N-doped graphene, was found to display higher ORR activity during single-electrode testing and demonstrate a Zn-air battery (ZAB) system. Under the hydrothermal treatment at 180 degrees C, in the presence of ammonia, nitrogen was doped into the carbon framework of graphene, which subsequently formed a self-assembled entangled 3D structure of graphene after freeze-drying. The hydrothermal treatment and freeze-drying processes were found to play vital roles in tuning the morphological and structural features of the catalyst. The doped nitrogen, apart from its favorable contribution toward ORR, helped facilitate efficient dispersion of oxide nanorods on graphene. Co3O4/NEGF displayed remarkable ORR activity in 0.1 M KOH solution, as evident from the 60 mV onset potential shift compared to the state-of-the-art Pt/C catalyst and the Tafel slope value of 74 mV dec(-1) vs 68 mV dec(-1) for Pt/C. The ZAB fabricated by employing Co3O4/NEGF as the cathode catalyst was found to be an efficient competitor for the system based on the Pt/C cathode. This high performance has been credited to the controlled interplay of the governing factors such as the interfacial interactions leading to the efficient dispersion of metal oxide nanorods, increased catalyst surface area, the cooperative effect arising from the defects present in the N-doped porous 3D graphene, and the synergetic interactions operating in the system.

}, keywords = {cobalt-oxide nanorod, freeze-drying, hydrothermal, N-doped entangled graphene, oxygen reduction reaction, zinc-air battery}, issn = {2574-0962}, doi = {10.1021/acsaem.1c00210}, author = {Manna, Narugopal and Singh, Santosh K. and Kharabe, Geeta Pandurang and Torris, Arun and Kurungot, Sreekumar} } @article {48108, title = {2,4-Di-tert-butylphenol (2,4-DTBP) purified from streptomyces sp. KCA1 from phyllanthus niruri: isolation, characterization, antibacterial and anticancer properties}, journal = {Journal of King Saud University Science}, volume = {34}, year = {2022}, month = {JUL}, pages = {102088}, type = {Article}, abstract = {

Objectives: The present study reports the bioactivity of 2,4-Di-tert-butylphenol (2,4-DTBP) purified from an endophytic Streptomyces species KCA1 isolated from the leaves of Phyllanthus niruri and its antibacterial and anticancer properties. Methods: The extracellular metabolites were produced from the strain KCA1 by submerged fermentation using ethyl acetate. The crude extract was further evaluated for antibacterial activity against set of pathogens. Active metabolite from the extract was purified using chromatography techniques and detected its antibacterial activity by disc diffusion assay. The molecular structure of the active molecule was identified through various spectral study. Moreover, the bioactive metabolite 2,4-DTBP was analyzed antibacterial and anti-proliferative activity. Results: Strain KCA1 was identified as Streptomyces sp. In the preliminary screening, the crude extract exhibited broad spectrum activity against various bacterial pathogens. Based on the spectral properties, the active metabolite was identified as 2,4-Di-tert-butylphenol. The MIC of active compound 2,4-DTBP inhibited E. coli ATCC 25922 and S. aureus ATCC 29213 at 50 lg/ml and 0.78 lg/ml, respectively. The IC50 value of 2,4-DTBP was found to be 11.0 lg/ml and 116.8 lg/ml, against breast cancer cell line (MCF7) and normal VERO cell line, respectively. Conclusions: This study concluded that 2,4-DTBP, produced from the endophytic Streptomyces sp. KCA1, is the potential candidate to develop as promising antibacterial and anticancer agent. (C) 2022 The Authors. Published by Elsevier B.V. on behalf of King Saud University.

}, keywords = {2, 4-Di-tert-butylphenol, Antibacterial, antiproliferative activity, Endophytic Streptomyces}, issn = {1018-3647}, doi = {10.1016/j.jksus.2022.102088}, author = {Seenivasan, Ayswarya and Manikkam, Radhakrishnan and Kaari, Manigundan and Sahu, Amit Kumar and Said, Madhukar and Dastager, Syed G.} } @article {48228, title = {2-oxoglutarate-dependent dioxygenases drive expansion of steroidal alkaloid structural diversity in the genus Solanum}, journal = {New Phytologist}, volume = {234}, year = {2022}, month = {MAY}, pages = {1394-1410}, type = {Article}, abstract = {

Solanum steroidal glycoalkaloids (SGAs) are renowned defence metabolites exhibiting spectacular structural diversity. Genes and enzymes generating the SGA precursor pathway, SGA scaffold and glycosylated forms have been largely identified. Yet, the majority of downstream metabolic steps creating the vast repertoire of SGAs remain untapped. Here, we discovered that members of the 2-OXOGLUTARATE-DEPENDENT DIOXYGENASE (2-ODD) family play a prominent role in SGA metabolism, carrying out three distinct backbone-modifying oxidative steps in addition to the three formerly reported pathway reactions. The GLYCOALKALOID METABOLISM34 (GAME34) enzyme catalyses the conversion of core SGAs to habrochaitosides in wild tomato S. habrochaites. Cultivated tomato plants overexpressing GAME34 ectopically accumulate habrochaitosides. These habrochaitoside enriched plants extracts potently inhibit Puccinia spp. spore germination, a significant Solanaceae crops fungal pathogen. Another 2-ODD enzyme, GAME33, acts as a desaturase (via hydroxylation and E/F ring rearrangement) forming unique, yet unreported SGAs. Conversion of bitter alpha-tomatine to ripe fruit, nonbitter SGAs (e.g. esculeoside A) requires two hydroxylations; while the known GAME31 2-ODD enzyme catalyses hydroxytomatine formation, we find that GAME40 catalyses the penultimate step in the pathway and generates acetoxy-hydroxytomatine towards esculeosides accumulation. Our results highlight the significant contribution of 2-ODD enzymes to the remarkable structural diversity found in plant steroidal specialized metabolism.

}, keywords = {Solanum, specialized metabolism, steroidal glycoalkaloids (SGAs), structural diversity, Tomato}, issn = {0028-646X}, doi = {10.1111/nph.18064}, author = {Sonawane, Prashant D. and Jozawiak, Adam and Barbole, Ranjit and Panda, Sayantan and Abebie, Bekele and Kazachkova, Yana and Gharat, Sachin A. and Ramot, Ofir and Unger, Tamar and Wizler, Guy and Meir, Sagit and Rogachev, Ilana and Doron-Faigenboim, Adi and Petreikov, Marina and Schaffer, Arthur and Giri, Ashok P. and Scherf, Tali and Aharoni, Asaph} } @article {48112, title = {3D x-ray microtomography investigations on the bimodal porosity and high sulfur impregnation in 3D carbon foam for Li-S battery application}, journal = {Journal of Physics-Energy}, volume = {4}, year = {2022}, month = {JAN }, pages = {014003}, type = {Article}, abstract = {

Lithium-sulfur (Li-S) batteries, regarded as one of the most promising alternatives to current state-of-the-art rechargeable Li-ion battery technologies, have received tremendous attention as potential candidates for next-generation portable electronics and the rapidly advancing electric vehicle market. However, substantial capacity decay, miserable cycle life, and meagre stability remain critical challenges. More specifically, shuttling of polysulfide (Li2S (x) (3 \< x \<= 8)) species severely hinders the cycle performance resulting in capacity fade and cycling instability. In the present work, a highly conducting three-dimensional (3D) carbon nanofiber (CNF) foam has been synthesized using the lyophilization method followed by thermal pyrolysis. The highly porous foam materials have a bimodal porosity distribution in the nano and micro regime and were successfully investigated to serve as a potential host for sulfur species intended for Li-S battery application. 3D x-ray microtomography was employed to estimate the nature of sulfur impregnation and distribution in the 3D porous networks. On utilizing the final product as cathode material, sulfur impregnated carbonized CNF foam and modified the separator with functionalized multiwalled carbon nanotubes delivered a specific capacity of similar to 845 mAh g(-1) at 100 mA g(-1).

}, keywords = {bimodal porosity, CNF foam, Li-S battery, microtomography}, issn = {2515-7655}, doi = {10.1088/2515-7655/ac4c34}, author = {Thripuranthaka, M. and Chaturvedi, Vikash and Dwivedi, Pravin Kumari and Torris, Arun and Shelke, V. Manjusha} } @article {48189, title = {Acetic acid-catalyzed regioselective C(sp(2))-H bond functionalization of indolizines: concomitant involvement of synthetic and theoretical studies}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {APR}, pages = {5097-5112}, type = {Article}, abstract = {

An atom economical and environmentally benign protocol has been developed for the regioselective C(sp2)-H bondfunctionalization of indolizines. The acetic acid-catalyzed cross-coupling reaction proceeds under metal-free conditions, producing awide range of synthetically useful indolizine derivatives. The present protocol showed good functional group tolerance and broadsubstrate scope in good to excellent yields. Quantum mechanical investigation using density functional theory (DFT) has played acrucial role in understanding that acetic acid is the key player in determining the actual pathway as the catalyst and its ultrafastnature. Different pathways involving inter- and intramolecular proton transfer, with or without acetic acid, were investigated.Calculated results revealed that a proton shuttle mechanism is involved for the least energetic, most favorable acetic acid-catalyzedpathway. Furthermore, regioselectivity has also been explained theoretically.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c03019}, author = {Mane, Kishor D. and Mukherjee, Anirban and Das, Gourab Kanti and Suryavanshi, Gurunath} } @article {46626, title = {Adsorption of toxic Pb(II) on activated carbon derived from agriculture waste (Mahogany fruit shell): isotherm, kinetic and thermodynamic study}, journal = {International Journal of Environmental Analytical Chemistry}, volume = {102}, year = {2022}, month = {DEC}, pages = {8270-8286}, type = {Article}, abstract = {

An adsorbent, mahogany fruit shell activated carbon(MFSAC), was derived from environmental friendly raw material, i.e. agriculture waste and explored for bench scale adsorption of toxic Pb(II). A facile MFSAC material was synthesised using a chemical activation method using concentrated sulphuric acid as an impregnating (activating) reagent. So derived adsorbent material was characterised by FTIR, XRD, BET, SEM, EDAX, TGA and XPS techniques to know the properties and plausible adsorption mechanism. Bench scale adsorption of toxic Pb(II) and maximum adsorption capacity of MFSAC were exhibited through batch adsorption experiments. The effect of physico-chemical parameters such as pH (1-7), MFSAC amount (0.5-5.0 g L-1), Pb(II) concentration (200-1000 mgL(-1)), contact period (60-600 min) and orbital shaking speed (60-200 rpm) was studied for maximum removal of Pb(II) upto 99.70 +/- 0.17\%. The experimental data follow the Langmuir adsorption isotherm with a maximum monolayer adsorption capacity 322.28 mg g(-1)and pseudo-second-order kinetic uptake rate. The thermodynamic and temperature study revealed that the adsorption process was spontaneous and endothermic in nature (Delta H-o = 43.37 kJ mole(-1), Delta S-o = 158.02 J mol(-1)K(-1)). Most importantly, the MFSAC adsorbent was successfully regenerated and reused with conspicuous performance up to five consecutive cycles. The bench-scale adsorption with simple synthesis route, good stability and remarkable regeneration capability makes the MFSAC as an encouraging adsorbent for wastewater treatment.

}, keywords = {activated carbon, Adsorption, mahogany fruit shell, Pb(II), sulphuric acid}, issn = {0306-7319}, doi = {10.1080/03067319.2020.1849648}, author = {Patil, Suryakant A. and Suryawanshi, Umesh P. and Harale, Namdev S. and Patil, Sandip K. and Vadiyar, Madgonda M. and Luwang, Meitram N. and Anuse, Mansing A. and Kim, Jin H. and Kolekar, Sanjay S.} } @article {48174, title = {Air-cathode interface-engineered electrocatalyst for solid-state rechargeable zinc-air batteries}, journal = {ACS Applied Energy Materials}, volume = {5}, year = {2022}, month = {JUL }, pages = {8756-8768}, type = {Article}, abstract = {

Solid-state rechargeable zinc-air batteries (ZABs) are gaining interest as a class of portable clean energy technology due to their advantages such as high theoretical energy density, intrinsic safety, and low cost. It is expected that an appropriately triple-phase boundary (TPB) engineered, bifunctional oxygen reaction (OER and ORR) electrocatalyst at the air- electrode of ZABs can redefine the performance characteristics of these systems. To explore this possibility, an electrode material consisting of manganese- cobalt-based bimetallic spinel oxide (MnCo2O4)-supported nitrogen-doped entangled graphene (MnCo2O4/NEGF) with multiple active sites responsible for facilitating both OER and ORR has been prepared. The porous 3D graphitic support significantly affects the bifunctional oxygen reaction kinetics and helps the system display a remarkable catalytic performance. The air electrode consisting of the MnCo2O4/NEGF catalyst coated over the gas diffusion layer (GDL) ensures the effective TPB, and this feature works in favor of the rechargeable ZAB system under the charging and discharging modes. As an important structural and functional attribute of the electrocatalyst, the porosity and nitrogen doping in the 3D conducting support play a decisive aspect in controlling the surface wettability (hydrophilicity/hydrophobicity) of the air electrode. The fabricated solid-state rechargeable ZAB device with the developed electrode displayed a maximum peak power density of 202 mW cm(-2), which is significantly improved as compared to the one based on the Pt/C + RuO2 standard catalyst pair (124 mW cm(-2)). The solid-state device which displayed an initial charge-discharge voltage gap of only 0.7 V at 10 mA cm(-2) showed only a small increment of 86 mV after 50 h.

}, keywords = {air-cathode interface, bifunctional oxygen catalyst, N-doped entangled graphene, solid-state zinc-air battery, spinel oxides}, issn = {2574-0962}, doi = {10.1021/acsaem.2c01266}, author = {Manna, Narugopal and Singh, Santosh K. and Kurian, Maria and Torris, Arun and Kurungot, Sreekumar} } @article {48221, title = {Algal biomass-loaded hydrogel scaffolds as a biomimetic platform with antibacterial and wound healing activities}, journal = {ACS Applied Polymer Materials}, volume = {4}, year = {2022}, month = {AUG}, pages = {5800-5812}, type = {Article}, abstract = {

The confluence of hydrogel scaffolds and dried algal biomass (AB), consisting of all the bioactive compounds, offers the possibility to facilitate wound healing while simultaneously instilling antibacterial benefits. For this purpose, a single-step synthesis of algal (Chlorella sorokiniana) biomass-loaded hydrogel scaffolds (AHS) was achieved. C. sorokiniana has been used in different areas for several years and has proved attractive to the pharmaceutical and cosmetic industries. Of note, the presence of phytochemicals and various bioactive compounds provides an added health benefit. Hitherto, we report AHS with accelerated wound healing along with potent anti-inflammatory and antibacterial properties. AHS consisting of different concentrations of AB was applied for 14 days on excisional wounds in mice. Microscopic analyses, assessment of proinflammatory and anti-inflammatory cytokines, and histological studies were performed to investigate wound healing. These scaffolds were extensively characterized and studied using Fourier transform infrared, X-ray diffraction, Raman, atomic force microscopy, transmission electron microscopy, scanning electron microscopy, swelling, rheological, thermal, and mechanical analyses. AHS have excellent biocompatibility in addition to significant antibacterial activity against Escherichia coli (99\%) and Staphylococcus aureus (98\%). We believe that the as-synthesized AHS have the potential to broaden the arsenal of more effective wound healing processes along with antibacterial activities.

}, keywords = {antibacterial activity, Biomass, hydrogel scaffold, microalgae, wound Healing}, issn = {2637-6105}, doi = {10.1021/acsapm.2c00722}, author = {Agarwal, Aakanksha and Kumar, Arun and Garg, Piyush and Chakraborty, Arnab and Verma, Ranjan and Sarwat, Maryam and Gupta, Ajay and Sasmal, Pijus K. and Verma, Yogesh Kumar and Chowdhury, Chiranjit and Mukherjee, Monalisa} } @article {47989, title = {Allosteric modulation of the chemokine receptor-chemokine CXCR4-CXCL12 complex by tyrosine sulfation}, journal = {International Journal of Biological Macromolecules}, volume = {206}, year = {2022}, month = {MAY }, pages = {812-822}, type = {Article}, abstract = {

The chemokine receptor CXCR4 and its cognate ligand CXCL12 mediate pathways that lead to cell migration and chemotaxis. Although the structural details of related receptor-ligand complexes have been resolved, the roles of the N-terminal domain of the receptor and post-translational sulfation that are determinants of ligand selectivity and affinity remain unclear. Here, we analyze the structural dynamics induced by receptor sulfation by combining molecular dynamics, docking and network analysis. The sulfotyrosine residues, 7YsN-term, 12Ys(N-term) and 21Ys(N-term) allow the N-terminal domain of the apo-sulfated receptor to adopt an {\textquoteleft}{\textquoteleft}open {\textquoteleft}{\textquoteleft} conformation that appears to facilitate ligand binding. The overall topology of the CXCR4-CXCL12 complex is independent of the sulfation state, but an extensive network of protein-protein interactions characterizes the sulfated receptor, in line with its increased ligand affinity. The altered interactions of sulfotyrosine residues, such as 21Ys(N-term)- 47R(CXCL12) replacing the 21Y(N-term)-13F(CXCL12) interaction, propagate via allosteric pathways towards the receptor lumen. In particular, our results suggest that the experimentally-reported receptor-ligand interactions 262D(6.58)- 8R(CXCL12) and 277E(7.28)-12R(CXCL12) could be dependent on the sulfation state of the receptor and need to be carefully analyzed. Our work is an important step in understanding chemokine-receptor interactions and how post-translational modifications could modulate receptor-ligand complexes.

}, keywords = {Allosteric communication pathway, Atomistic molecular dynamics simulations, G protein-coupled receptor, Ligand binding, Post-translational modification, Protein-protein interface}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2022.03.078}, author = {Sonawani, Archana and Kharche, Shalmali and Dasgupta, Debjani and Sengupta, Durba} } @article {47743, title = {Alpha Au2S nanoparticles: fungal-mediated synthesis, structural characterization and bioassay}, journal = {Green Chemistry Letters and Reviews}, volume = {15}, year = {2022}, month = {JAN }, pages = {59-68}, type = {Article}, abstract = {Luminescent nanoparticles synthesized via bio-based protocols that generate nanoparticles having different chemical compositions along with other functionalities (size and morphology) have received huge attention. We have focused our research on gold sulfide nanoparticles (Au2S NPs) and have biosynthesized these NPs using the fungus Humicola sp. The nanoparticles were characterized by Transmission Electron Microscopy, which showed spherical morphology of Au2S. UV-Visible-NIR spectrophotometry, luminescence spectrophotometry, Selected Area Electron Diffraction, Energy Dispersive Analysis of X-rays, and X-ray diffraction were performed. FTIR confirmed that the fungal metabolites including biomolecules secreted in the reaction medium are primarily responsible for nanoparticle synthesis and stabilization. The fungus reduced the precursor solution (HAuCl4 and Na2SO3) and at the same time capped them with secreted biomolecules. The anti-leishmanial activity of Au2S NPs was determined against L. donovani promastigote (Ag83 strain). Au2S NPs displayed less cytotoxicity towards both normal and cancer (Daudi, ZR-75-1) cell lines. Hemocompatibility was determined via hemolysis assays. This novel fungal-based system demonstrates an economical and environmentally benign process for biosynthesis of Au2S nanoparticles which may find application in bioimaging and labeling studies.}, keywords = {Biosynthesis, Cytotoxicity, Gold sulfide, Hemolysis, humicola sp, promastigote}, issn = {1751-8253}, doi = {10.1080/17518253.2021.1999509}, author = {Syed, Asad and Al Saedi, Marzouq H. and Bahkali, Ali H. and Elgorgan, Abdallah M. and Kharat, Mahesh and Pai, Kalpana and Pichtel, John and Ahmad, Absar} } @article {48005, title = {Alpha-, beta- and gamma-cellulose quantification and two-stage concentrated-dilute acid lignin recovery from three rice husks: lignin characterization and depolymerization}, journal = {Waste and Biomass Valorization}, volume = {13}, year = {2022}, month = {JUN}, pages = {2963-2977}, type = {Article}, abstract = {

Investigations on the compositional analysis of lignocellulosic materials and their properties upon recovery are essential to be studied in order to examine the effects of recovery method, their dependency on the substrate, etc. In this work, three rice husks (RHs) samples were subjected for alpha-, beta- and gamma-cellulose, pentosan, and silica quantifications. Correlations between the source of biomass, lignin recovery by two-stage concentrated and dilute sulphuric acid treatment, their properties and their depolymerization into low molecular mass aromatic fractions using homogeneous and heterogeneous Bronsted acidic ionic liquids as catalysts, is carried out. Correlation between the properties of RHs and recovered lignin were performed using destructive (CHNS, TGA, ICP-OES, etc.) and non-destructive (XRD, UV-Visible, FT-IR, and C-13 CP-MAS NMR) analytical techniques. It was observed that the recovered lignin was polysaccharides free and associated with dibenzodioxocin, spirodienone, and tricin type moieties with variable intensities. The effects of lignin structures showed a change of depolymerisation product pattern. [GRAPHICS] .

}, keywords = {Holocellulose, Homogeneous and heterogeneous catalysts, lignin, Rice husks}, issn = {1877-2641}, doi = {10.1007/s12649-022-01704-1}, author = {Singh, Sandip K. and Dhepe, Paresh L.} } @article {47766, title = {Alternative splicing modulation mediated by G-quadruplex structures in MALAT1 lncRNA}, journal = {Nucleic Acids Research}, volume = {50}, year = {2022}, month = {JAN}, pages = {378-396}, type = {Article}, abstract = {MALAT1, an abundant lncRNA specifically localized to nuclear speckles, regulates alternative-splicing (AS). The molecular basis of its role in AS remains poorly understood. Here, we report three conserved, thermodynamically stable, parallel RNAG-quadruplexes (rG4s) present in the 3{\textquoteright} region of MALAT1 which regulates this function. Using rG4 domain-specific RNA-pull-down followed by mass-spectrometry, RNA-immuno-precipitation, and imaging, we demonstrate the rG4 dependent localization of Nucleolin (NCL) and Nucleophosmin (NPM) to nuclear speckles. Specific G-to-A mutations that abolish rG4 structures, result in the localization loss of both the proteins from speckles. Functionally, disruption of rG4 in MALAT1 phenocopies NCL knockdown resulting in altered pre-mRNA splicing of endogenous genes. These results reveal a central role of rG4s within the 3{\textquoteright} region of MALAT1 orchestrating AS.}, issn = {0305-1048}, doi = {10.1093/nar/gkab1066}, author = {Ghosh, Arpita and Pandey, Satya Prakash and Ansari, Asgar Hussain and Sundar, Jennifer Seematti and Singh, Praveen and Khan, Yasmeen and Ekka, Mary Krishna and Chakraborty, Debojyoti and Maiti, Souvik} } @article {46622, title = {Amide-linked monocarbonyl curcumin analogues: efficient synthesis, antitubercular activity and molecular docking study}, journal = {Polycyclic Aromatic Compounds}, volume = {45}, year = {2022}, month = {MAY}, pages = {2655-2671}, type = {Article}, abstract = {

An approach toward the synthesis of novel conjugates of 3,5-bis (arylidene)-4-piperidones (DAP) pharmacophore with amide-linkage has been developed via one-pot multicomponent reaction of aryl aldehydes, piperidinone and 2-chloro-N-phenylacetamide using [Et3NH][HSO4] as a catalyst/medium. Both substitutions on arylidene rings and piperidinone nitrogen (substituted 2-chloro-N-phenylacetamide) were varied. The synthesized conjugates were evaluated for their in vitro antitubercular activity against M. tuberculosis H37Ra (MTB) and M. bovis BCG strains. Among the series, compounds 4f, 4g, 4i and 4j showed remarkable broad spectrum antitubercular activity with low IC50 values. Furthermore, computer docking simulations, for the most active conjugates were performed with the active site of mycobacterial enoyl-acyl carrier protein reductase (InhA) support the antitubercular activity. Lower cytotoxicity, high potency and promising activity against MTB and M. Bovis BCG suggest that amide linked DAP could serve as good leads for further modifications and development.

}, keywords = {antimycobacterial activity, Bis (arylidene)-4-piperidones, Cytotoxicity, Ionic liquid, Molecular docking Study}, issn = {1040-6638}, doi = {10.1080/10406638.2020.1852288}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Nagargoje, Amol A. and Akolkar, V. Satish and Bhansali, Sujit G. and Sarkar, Dhiman and Shingate, Bapurao B.} } @article {48411, title = {Antibiotic natural product hunanamycin A: Lead identification towards anti-Salmonella agents}, journal = {European Journal of Medicinal Chemistry}, volume = {236}, year = {2022}, month = {JUN}, pages = {114245}, type = {Article}, abstract = {

Design and synthesis of library of compounds around the antibiotic natural product hunanamycin A scaffold and their biological evaluation are disclosed here. These efforts resulted in identification of a lead compound 36, which is a structurally simplified analogue of original hunanamycin A with impressive activity against Salmonella enterica and possesses other druggable properties. In addition, no acute oral toxicity was observed for compound 36 in Swiss albino mice dosed up to 2 g/kg. It has the potential to be developed for the treatment of food infections caused by Salmonella. (c) 2022 Published by Elsevier Masson SAS.

}, keywords = {Antibiotic natural product, Hunanamycin A, Riboflavin synthase, Salmonella, Structure activity relationship}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2022.114245}, author = {Shingare, Rahul D. and MacMillan, John B. and Reddy, D. Srinivasa} } @article {48014, title = {Antifungal compound from marine Serratia marcescens BKACT and its potential activity against Fusarium sp.}, journal = {International Microbiology}, volume = {25}, year = {2022}, month = {NOV}, pages = {851-862}, type = {Article}, abstract = {

Ecofriendly biocontrol agents to control pathogenic fungi are in demand globally. The present study evaluated the antifungal potentials of marine bacteria Serratia marcescens BKACT against eight different Fusarium species. A highest 75.5 +/- 0.80\% of mycelial inhibition was observed against Fusarium foetens NCIM 1330. Structural characterization of the purified compound was analyzed by GC-MS and NMR techniques; based on the analysis, it is confirmed as 2, 4-di-tert butyl phenol (2, 4-DTBP) with chemical structure C14H22O. At 0.53 mM concentration, purified compound inhibited complete spore germination of F. foetens NCIM 1330. In vitro assay showed complete inhibition of F. foetens NCIM 1330 on the wheat seeds. Tested concentration does not show any toxic effect on germination of the seeds. By this study, we conclude that, 2, 4-DTBP is a suitable candidate to be used as biocontrol agent against Fusarium infection.

}, keywords = {2, 4, di-tert butyl phenol, Fusarium sp, marine, Serratia marcescens}, issn = {1139-6709}, doi = {10.1007/s10123-022-00268-3}, author = {Kharat, Bharat A. and Said, Madhukar S. and Dastager, Syed G.} } @article {48407, title = {Artificial intelligence in microbial natural product drug discovery: current and emerging role}, journal = {Natural Product Reports}, volume = {39}, year = {2022}, month = {DEC}, pages = {2215-2230}, type = {Review}, abstract = {

Covering: up to the end of 2022 Microorganisms are exceptional sources of a wide array of unique natural products and play a significant role in drug discovery. During the golden era, several life-saving antibiotics and anticancer agents were isolated from microbes; moreover, they are still widely used. However, difficulties in the isolation methods and repeated discoveries of the same molecules have caused a setback in the past. Artificial intelligence (AI) has had a profound impact on various research fields, and its application allows the effective performance of data analyses and predictions. With the advances in omics, it is possible to obtain a wealth of information for the identification, isolation, and target prediction of secondary metabolites. In this review, we discuss drug discovery based on natural products from microorganisms with the help of AI and machine learning.

}, issn = {0265-0568}, doi = {10.1039/d2np00035k}, author = {SahayaSheela, Vinodh J. and Lankadasari, Manendra B. and Dan, Vipin Mohan and Dastager, Syed G. and Pandian, Ganesh N. and Sugiyama, Hiroshi} } @article {48093, title = {Assembly, annotation, and comparative whole genome sequence of fusarium verticillioides isolated from stored maize grains}, volume = {11}, year = {2022}, month = {JUL}, pages = {810}, type = {Article}, abstract = {

Fusarium verticillioides is a plant pathogenic fungus affecting a wide range of crops worldwide due to its toxigenic properties. F. verticillioides BIONCL4 strain was isolated from stored maize grain samples in India, and produces high amount of fumonisin B1 (FB1). We report a comparative genomic analysis of F. verticillioides, covering the basic genome information, secretome, and proteins involved in host-pathogen interactions and mycotoxin biosynthesis. Whole-genome sequencing (WGS) was performed using the Illumina platform with an assembly size of 42.91 Mb, GC content of 48.24\%, and 98.50\% coverage with the reference genome (GCA000149555). It encodes 15,053 proteins, including 2058 secretory proteins, 676 classical secretory proteins, and 569 virulence and pathogenicity-related proteins. There were also 1447 genes linked to carbohydrate active enzymes (CaZymes) and 167 genes related to mycotoxin production. Furthermore, F. verticillioides genome comparison revealed information about the species{\textquoteright} evolutionary history. The overall study helps in disease prevention and management of mycotoxins to ensure food safety.

}, keywords = {comparative genomics, Fusarium verticillioides, mycotoxin biosynthesis, plant-pathogen interaction, Secretome, whole-genome sequencing}, doi = {10.3390/pathogens11070810}, author = {Navale, Vishwambar D. and Sawant, Amol M. and Gowda, Varun U. and Vamkudoth, Koteswara Rao} } @article {48379, title = {Association-dissociation dynamics of ionic electrolytes in low dielectric medium}, journal = {Journal of Physical Chemistry B}, volume = {126}, year = {2022}, month = {JAN}, pages = {239-248}, type = {Article}, abstract = {

Ionic electrolytes are known to form various complexes which exist in dynamic equilibrium in a low dielectric medium. However, structural characterization of these complexes has always posed a great challenge to the scientific community. An additional challenge is the estimation of the dynamic association-dissociation time scales (lifetime of the complexes), which are key to the fundamental understanding of ion transport. In this work, we have used a combination of infrared absorption spectroscopy, two-dimensional infrared spectroscopy, molecular dynamics simulations, and density functional theory calculations to characterize the various ion complexes formed by the thiocyanate-based ionic electrolytes as a function of different cations in a low dielectric medium. Our results demonstrate that thiocyanate is an excellent vibrational reporter of the heterogeneous ion complexes undergoing association-dissociation dynamics. We find that the ionic electrolytes exist as contact ion pairs, dimers, and clusters in a low dielectric medium. The relative ratios of the various ion complexes are sensitive to the cations. In addition to the interactions between the thiocyanate anion and the countercation, the solute-solvent interactions drive the dynamic equilibrium. We have estimated the association-dissociation dynamics time scales from two-dimensional infrared spectroscopy. The exchange time scale involving the cluster is faster than that between a dimer and an ion pair. Moreover, we find that the dynamic equilibrium between the cluster and another ion complex is correlated to the solvent fluctuations.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.1c08613}, author = {Ghosh, Deborin and Sakpal, Sushil S. and Chatterjee, Srijan and Deshmukh, Samadhan H. and Kwon, Hyejin and Kim, Yung Sam and Bagchi, Sayan} } @article {48370, title = {BESFA: bioinformatics based evolutionary, structural \& functional analysis of prostate, Placenta, Ovary, Testis, and Embryo (POTE) paralogs}, journal = {Heliyon}, volume = {8}, year = {2022}, month = {SEP}, pages = {e10476}, type = {Article}, abstract = {

The POTE family comprises 14 paralogues and is primarily expressed in Prostate, Placenta, Ovary, Testis, Embryo (POTE), and cancerous cells. The prospective function of the POTE protein family under physiological conditions is less understood. We systematically analyzed their cellular localization and molecular docking analysis to elucidate POTE proteins{\textquoteright} structure, function, and Adaptive Divergence. Our results suggest that group three POTE paralogs (POTEE, POTEF, POTEI, POTEJ, and POTEKP (a pseudogene)) exhibits significant variation among other members could be because of their Adaptive Divergence. Furthermore, our molecular docking studies on POTE protein revealed the highest binding affinity with NCI-approved anticancer compounds. Additionally, POTEE, POTEF, POTEI, and POTEJ were subject to an explicit molecular dynamic simulation for 50ns. MM-GBSA and other essential electrostatics were calculated that showcased that only POTEE and POTEF have absolute binding affinities with minimum energy exploitation. Thus, this study{\textquoteright}s outcomes are expected to drive cancer research to successful utilization of POTE genes family as a new biomarker, which could pave the way for the discovery of new therapies.

}, keywords = {(MMGBSA), Adaptive divergence, Evolution, generalized born surface area, Homology, Mechanics, Molecular docking, Molecular dynamic simulation molecular, POTE paralogs}, doi = {10.1016/j.heliyon.2022.e10476}, author = {Qazi, Sahar and Jit, Bimal Prasad and Das, Abhishek and Karthikeyan, Muthukumarasamy and Saxena, Amit and Ray, M. D. and Singh, Angel Rajan and Raza, Khalid and Jayaram, B. and Sharma, Ashok} } @article {48172, title = {Bioinspired hyaluronic acid based nanofibers immobilized with 3, 4-difluorobenzylidene curcumin for treating bacterial infections}, journal = {Journal of Drug Delivery Science and Technology}, volume = {74}, year = {2022}, month = {AUG}, pages = {103480}, type = {Article}, abstract = {

Curcumin (Cur) is a natural polyphenol with multifaceted pharmacological functions, exploited extensively for biomedical applications. Traditionally curcumin is being used as an antimicrobial agent. However, to improvise the pharmacological properties, it is being modified synthetically. One of such modified Cur is 3, 4- difluorobenzylidene curcumin (CDF) which is aimed for enhancing the anti-cancer properties. Though there are reports on the studies of anti-cancer properties involving CDF, the anti-bacterial property is yet to be demonstrated. Accordingly, in our studies, we prepared bioinspired hyaluronic acid blends immobilized with CDF and fabricated non-woven nanofiber mats. These nanofiber mats were characterized and demonstrated in vitro cell culture studies, which involved cell viability, hemolysis, anti-bacterial and cell scratch assay to understand their efficacy in treating bacteria. The molecular docking studies of CDF and Cur were performed on the dihydrofolate reductase (DHFR) enzyme receptor, which is an essential protein of S.auerus (Staphylococcus aureus). The results of MTT (3-(4,5-Dimethylthiazol-2-yl)-2,5-Diphenyltetrazolium Bromide) assay, and hemolysis of the respective nanofiber mats with Cur and CDF showed non-toxicity and were compatible with blood cells. Further, the cell proliferation and adherence recorded \>60\% fibroblast cells for the nanofiber mats. The anti-bacterial property of Cur and CDF was similar. The in vitro release studies for the respective Cur and CDF loaded nanofiber mats recorded a release of 25 and 37\%, respectively. From these studies, we concluded that the CDF sustained its antibacterial property in addition to the improved anti-cancer property; hence CDF being synergetic, it will have a better scope in cancer therapy.

}, keywords = {anti-bacterial, curcumin, nanofibers, tissue engineering, wound Healing}, issn = {1773-2247}, doi = {10.1016/j.jddst.2022.103480}, author = {Patel, Pratikshkumar R. and Singam, Amarnath and Iyer, Arun K. and Gundloori, Rathna Venkata Naga} } @article {48373, title = {Biological macromolecule chitosan grafted co-polymeric composite: bio-adsorption probe on cationic dyes}, journal = {Polymer Bulletin}, volume = {79}, year = {2022}, month = {NOV}, pages = {9441-9455}, type = {Article}, abstract = {

Chitosan biological macromolecule is a versatile polymer; chemical modification has been carried out that lead to the formation of chitosan grafted polymers composites (Chito-g-PC). We proposed synthesis of six various Chito-g-PC as sorbents for toxic dyes. A novel graft copolymerization method based on radical polymerization with vinyl monomer like acrylic acid, acrylamide, N-isopropylacrylamide, methacrylic acid and polyacrylonitrile were utilized in order to address the large amount of swelling at four different pH buffers solution. The effect of initiator and monomer concentration, time and temperature on \% grafting and \% grafting efficiency were performed. Comparative characterization of Chito and Chito-g-PC were evaluated by SEM, XRD and FTIR, as well as solubility characteristics of the composites were determined by various pH buffer solution. Cationic toxic dyes Malachite green (MG) and Methylene blue (MB) were selected as the sorbet, and Chito-g-PC were used as biosorbents. Thermodynamic analysis showed that the sorption process was spontaneous and endothermic with an increased randomness. The sorption experiments were realized with six different Chito-g-PC for MG and MB at various pH.

}, keywords = {Acrylamide, acrylic acid, Bio sorbent, Chitosan biological macromolecule}, issn = {0170-0839}, doi = {10.1007/s00289-021-03954-w}, author = {Khairkar, Shyam R. and Pansare, V. Shubham and Shedge, Amol A. and Chhatre, Shraddha and Kulal, Dnyaneshwar K. and Patil, Vishwanath R. and Pansare, V. Amol} } @article {47900, title = {Biosynthetic process and strain improvement approaches for industrial penicillin production}, journal = {Biotechnology Letters}, volume = {44}, year = {2022}, month = {FEB}, pages = {179-192}, type = {Review}, abstract = {

Penicillins and cephalosporins are the most important class of beta (beta) lactam antibiotics, accounting for 65\% total antibiotic market. Penicillins are produced by Penicillium rubens (popularly known as P. chrysogenum) were used to synthesize the active pharmaceutical intermediate (API), 6-aminopenicillinic acid (6-APA) employed in semisynthetic antibiotic production. The wild strains produce a negligible amount of penicillin (Pen). High antibiotic titre-producing P. chrysogenum strains are necessitating for industrial Pen production to meet global demand at lower prices. Classical strain improvement (CSI) approaches such as random mutagenesis, medium engineering, and fermentation are the cornerstones for high-titer Pen production. Since, Sir Alexander Fleming Discovery of Pen, great efforts are expanded to develop at a commercial scale antibiotics producing strains. Breakthroughs in genetic engineering, heterologous expression and CRISPR/Cas9 genome editing tools opened a new window for Pen production at a commercial scale to assure health crisis. The current state of knowledge, limitations of CSI and genetic engineering approaches to Pen production are discussed in this review.

}, keywords = {beta-lactam antibiotic, Classical strain improvement (CSI), Genetic engineering, Penicillin, Penicillium chrysogenum}, issn = {0141-5492}, doi = {10.1007/s10529-022-03222-5}, author = {Sawant, Amol M. and Vamkudoth, Koteswara Rao} } @article {47995, title = {Blend of neem oil based polyesteramide as magnetic nanofiber mat for efficient cancer therapy}, journal = {Journal of Drug Delivery Science and Technology}, volume = {75}, year = {2022}, month = {SEP}, pages = {103629}, type = {Article}, abstract = {

Stearic acid-coated magnetic nanoparticles (SMN) and FU (5-Fluorouracil) were immobilized in the blends of neem oil-based polyesteramide and fabricated as nanofiber mat (NM) for controlled release of FU under the influence of an external magnetic field for targeted drug delivery to treat cancer efficiently. Analyzed the surface morphology of the fibers using E-SEM, it was observed that the fibers were smooth with the diameter ranging from 250 to 450 nm. TEM studies showed the uniform distribution of SMN in the nanofibers. The physico-chemical properties of NM and raw materials were analyzed using FTIR, TGA, and XRD. The results suggested that the polymers were well blended. In-vitro FU release studies of the NMs recorded a significant difference in the cumulative percentage of FU release from SMN-NMs. The SMN-NMs released 95\% of FU in 4 h, whereas, NMs released 83\% of FU in 24 h. The cell viability assay for the NM was evaluated in the L929 mouse fibroblast cells, where \>75\% of cells were viable. The hemolysis assay for the developed SMN-NF showed \<5\% of hemolysis, which indicated the NMs were safe for application. The anti-cancer activity of FU loaded SMN-NF was analyzed in the MCF-7 cancer cell line, which recorded more than 50\% cell death within 24 h. From SQUID analysis, we found that the 10\% SMN were superparamagnetic in nature, the magnetization at 30 kOe was observed to be 4.3 emu/g. Based on the in vitro results, we concluded that the developed SMN-NMs are recommended for in vivo studies to understand their efficacy for the targeted drug delivery to treat cancer.

}, keywords = {5-Fluorouracil, drug release, electrospinning, Magnetic nanoparticles, nanofibers, Stearic acid}, issn = {1773-2247}, doi = {10.1016/j.jddst.2022.103629}, author = {Patel, Pratikshkumar R. and Singam, Amarnath and Dadwal, Arun and Gundloori, Rathna Venkata Naga} } @article {48218, title = {Boosting electrochemical CO2 reduction to methane via tuning oxygen vacancy concentration and surface termination on a copper/ceria catalyst}, journal = {ACS Catalysis}, volume = {12}, year = {2022}, month = {SEP}, pages = {10973-10983}, type = {Article}, abstract = {

Metal oxides are a promising material for designing highly active and selective catalysts for the electrochemical reduction of carbon dioxide (CO2RR). Here, we designed a Cu/ceria catalyst with high selectivity of methane production at single-atomic Cu active sites. Using this, we report favorable design concepts that push the product selectivity of methane formation by combining detailed structural analysis, density functional theory (DFT), in situ Raman spectroscopy, and electrochemical measurements. We demonstrate that a higher concentration of oxygen vacancies on the catalyst surface, resulting from more available Cu+ sites, enables high selectivity for methane formation during CO2RR and can be controlled by the calcination temperature. The DFT calculation and in situ Raman studies indicate that pH controls the surface termination; a more alkaline pH generates hydroxylated surface motifs with more active sites for the hydrogen evolution reaction. These findings provide insights into designing an efficient metal oxide electrocatalyst by controlling the atomic structure via the reaction environment and synthesis conditions.

}, keywords = {copper-ceria, electrochemical CO2 reduction, electrolyte pH, gas diffusion electrode, methane production, Oxygen vacancy}, issn = {2155-5435}, doi = {10.1021/acscatal.2c02669}, author = {Patra, Kshirodra Kumar and Liu, Zhu and Lee, Hojeong and Hong, Seungwon and Song, Hakhyeon and Abbas, Hafiz Ghulam and Kwon, Youngkook and Ringe, Stefan and Oh, Jihun} } @article {48205, title = {BQ-AurIPr: a redox-active anticancer Au(i) complex that induces immunogenic cell death}, journal = {Chemical Science}, volume = {13}, year = {2022}, month = {SEP}, pages = {10779-10785}, type = {Article}, abstract = {

Immunogenic Cell Death (ICD) is a unique cell death mechanism that kills cancer cells while rejuvenating the anticancer immunosurveillance, thereby benefiting the clinical outcomes of various immuno-chemotherapeutic regimens. Herein, we report development of a library of benzo[a]quinolizinium-based Au(i) complexes through an intramolecular amino-auration reaction of pyridino-alkynes. We tested 40 candidates and successfully identified BQ-AurIPr as a novel redox-active Au(i) complex with potent anticancer properties. BQ-AurIPr efficiently triggered generation of DAMPs - the hallmarks of ICD - and was superior in terms of efficiency compared to FDA-approved drugs known to induce ICD. BQ-AurIPr significantly increased immunogenicity of cancer cells enhancing their phagocytosis when co-cultured with immune cells. Our investigation reveals that BQ-AurIPr induces oxidative stress inside mitochondria leading to mitophagy, as the mechanism for immunogenic cell death in A549 cells.

}, issn = {2041-6520}, doi = {10.1039/d2sc03756d}, author = {Mule, Ravindra D. and Kumar, Akhilesh and Sancheti, Shashank P. and Senthilkumar, B. and Kumar, Himanshu and Patil, Nitin T.} } @article {48192, title = {Case report: a fatal case of babesiosis in a splenectomized male patient from Western India}, journal = {American Journal of Tropical Medicine and Hygiene}, volume = {106}, year = {2022}, month = {MAY}, pages = {1421-1425}, type = {Article}, abstract = {

Human babesiosis is a rare disease, caused by Babesia species and commonly transmitted by tick bite. Although human babesiosis is known to be asymptomatic in immunocompetent hosts, clinical cases of severe babesiosis have been reported from splenectomized or immunocompromised individuals. To our knowledge, only one case of human babesiosis in India has been previously reported. Here, we report a case of severe babesiosis with high parasitemia (similar to 70\%) in a 30-year-old asplenic farmer. The patient presented with fever, yellowish discoloration of skin, oliguria, and anemia; he eventually developed multiorgan failure syndrome and died. Peripheral blood films were prepared and used to confirm the presence of piroplasms by microscopy. Total DNA isolated from blood was used for 18S ribosomal RNA gene fragment amplification by polymerase chain reaction, which was subjected to Sanger sequencing. Although 18S sequence indicated that the Babesia species infecting the patient was similar to that of other Babesia species originating from wild mammals, species identification could not be done. Phylogenetic analysis revealed that the patientderived pathogen is distinct because it forms a separate clade in the cladogram.

}, issn = {0002-9637}, doi = {10.4269/ajtmh.20-1118}, author = {Godbole, Ravi and Gaur, Avantika and Nayar, Priyanka and Kiruthiga, Kala and D{\textquoteright}Costa, Pradeep and Manchanda, Rumma and Khilari, Ajinkya and Shanmugam, Dhanasekaran and Muglikar, Kalpana D. and Kundu, Krishnendu} } @article {48023, title = {Catalytic conversion of sucrose to 1,2-propanediol over alumina-supported Ni-Mo bimetallic catalysts}, journal = {Sustainable Energy \& Fuels}, volume = {6}, year = {2022}, month = {JUL}, pages = {3681-3689}, type = {Article}, abstract = {

Ni-Mo supported on gamma-Al2O3 catalysts were synthesized to test its catalytic activity towards sucrose to 1,2-propanediol (1,2-PDO) conversion. The catalyst system was characterized using various physicochemical methods, including XRD, BET, py-FTIR, XPS, FE-SEM, HR-TEM and ICP. The metal combination of 8\%Ni-20\%Mo/gamma-Al2O3 is found to be effective in producing a good yield of 1,2-propanediol (similar to 74\%) under mild reaction conditions of 180 degrees C, 40 bar H-2 pressure and a run time of 4.5 h in a batch reaction. The activity of the active catalyst over various substrates such as cellulose, glucose, fructose and real-source biomass has also been investigated. XPS analysis of the active catalyst confirms the various oxidation states of the metals Ni and Mo in the active catalyst. The py-IR results show that the optimum Lewis to Bronsted acidic site ratio is responsible for the selective conversion of sucrose to 1,2-PDO. The presence of interparticle mesopores on gamma-Al2O3 helps in the high conversion of sucrose. Furthermore, the catalyst has been found reusable for four consecutive runs without any structural or morphological changes.

}, issn = {2398-4902}, doi = {10.1039/d2se00610c}, author = {Sreekantan, Sreejith and Kirali, Arun Arunima Balachandran and Marimuthu, Banu} } @article {47767, title = {CdS cubane type clusters encapsulated by rolling of single layer reduced graphene oxide sheets for enhanced mechanical energy harvesting}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {276}, year = {2022}, month = {FEB}, pages = {115528}, type = {Article}, abstract = {Composites with Single Layer Graphene Oxide (SLGO) sheets are extremely difficult to achieve, irrespective of the current advancements in graphene composites research. The difficulties in exfoliating the graphite oxide (GO) was associated with a strong interaction among the edge sides of the adjacent layers. This in-turn barricades the foreign intruders to interact with the basal plane, thereby restraining one to form composites with SLGO sheets. In this work, we had successfully exfoliated GO through a spacer [Cd(OAc)(2) + polyethylene glycol (PEG)] to result in nano-engineered CdS cubane-type clusters in rolled up SLGO to form graphene oxide complex compound (GOCC), resembling carbon nanotubes (CNTs). The CdS cubane-type clusters were found to interacting with the carbon skeleton of rolled reduced SLGO sheet through a Manogate{\textquoteright} structures, which was supported by density functional theory (DFT) calculations. Our theoretical study reveals that the obtained complex compound (GOCC) is thermodynamically more favourable than its ancestor materials (CdS cubane and empty CNT). Flexible piezoelectric nanogenerators (PENGs) fabricated from GOCC and thermoplastic polyurethane (TPU) resulted in output voltage (V-oc) of 4.5 V and output current of 0.4 mu A at applied force of 13 N. The nanoengineering helps to achieve superior mechanical energy harvesting performance for GOCC compared to pristine CdS, which demonstrate the potential of nanogate structures to enhance the intrinsic properties of materials.}, keywords = {Graphene oxide complex compound, Nanogate structure, New material, Novel procedure, Piezoelectric nanogenerator, SLGO}, issn = {0921-5107}, doi = {10.1016/j.mseb.2021.115528}, author = {Kumar, Praveen and Ram, Farsa and Shanmuganathan, Kadhiravan and Luwang, Meitram Niraj} } @article {48206, title = {CdSe quantum dot-based nanocomposites for ultralow-power memristors}, journal = {ACS Applied Nano Materials}, volume = {5}, year = {2022}, month = {JUN}, pages = {8502-8510}, type = {Article}, abstract = {

The explosion in digital communication with the huge amount of data and the internet of things (IoT) led to the increasing demand for data storage technology with faster operation speed, high-density stacking, nonvolatility, and low power consumption for saving energy. Metal chalcogenide-based quantum dots (QDs) show excellent nonvolatile resistive memory behavior owing to their tunable electronic states and control in trap states by passivating the surface with different ligands. Here, we synthesized high-quality colloidal monodispersed CdSe QDs by the hot injection method. The CdSe QDs were blended with an organic polymer, poly(4-vinylpyridine) (PVP), to fabricate an Al\textbackslashCdSe-PVP\textbackslashAl device. Our device shows excellent bipolar nonvolatile resistive random access memory (RRAM) switching behavior with a high current ON/OFF ratio (I-ON/OFF) of 6.1 x 10(4), and it consumes ultralow power. The charge trapping and detrapping in the potential well formed by the CdSe QD and PVP combination result in resistive switching. This CdSe-PVP-based resistive random access memory (RRAM) device with a high I-ON/OFF, ultrafast switching speed, high endurance, low operating voltage, and long retention period can be used as a high-performance and ultralow-power memristive device.

}, keywords = {memory switching, memristor, metal chalcogenides, nonvolatile, quantum dots}, doi = {10.1021/acsanm.2c01894}, author = {Bera, Jayanta and Betal, Atanu and Sharma, Ashish and Shankar, Uday and Rath, Arup Kumar and Sahu, Satyajit} } @article {48038, title = {Ce promoted Cu/?-Al2O3 catalysts for the enhanced selectivity of 1,2-pro-panediol from catalytic hydrogenolysis of glucose}, journal = {Catalysis Communications}, volume = {165}, year = {2022}, month = {MAY}, pages = {106447}, type = {Article}, abstract = {

Ce promoted Cu/gamma-Al2O3 catalysts were prepared with varying amounts of Cu (x = 0-10 wt\%) and Ce (y = 0-15 wt\%). The prepared catalysts were characterized and tested for the conversion of aqueous glucose (5 wt\%) to 1,2propanediol in a batch reactor. 10\%Ce-8\%Cu/gamma-Al2O3 \& nbsp;showed the complete conversion of glucose with 62.7\% selectivity of 1,2-propanediol and total glycols (1,2-propanediol, ethylene glycol \& 1,2-butanediol) of 81\% at milder reaction conditions. Cu facilitated the hydrogenation activity and Ce loading optimize the acid/base sites of Cu/gamma-Al2O3 which obtain high selectivity of 1, 2-propanediol. Catalyst reusability is reported.

}, keywords = {2-Propanediol

,

1, Cu-Ce catalyst, ethylene glycol, Gamma alumina, Glucose hydrogenolysis}, issn = {1566-7367}, doi = {10.1016/j.catcom.2022.106447}, author = {Kirali, Arun Arunima Balachandran and Sreekantan, Sreejith and Marimuthu, Banu} } @article {47706, title = {Characterized constituents of insect herbivore oral secretions and their influence on the regulation of plant defenses}, journal = {Phytochemistry}, volume = {193}, year = {2022}, month = {JAN}, pages = {113008}, type = {Article}, abstract = {For more than 350 million years, there have been ongoing dynamic interactions between plants and insects. In several cases, insects cause-specific feeding damage with ensuing herbivore-associated molecular patterns that invoke characteristic defense responses. During feeding on plant tissue, insects release oral secretions (OSs) containing a repertoire of molecules affecting plant defense (effectors). Some of these OS components might elicit a defense response to combat insect attacks (elicitors), while some might curb the plant defenses (suppressors). Few reports suggest that the synthesis and function of OS components might depend on the host plant and associated microorganisms. We review these intricate plant-insect interactions, during which there is a continuous exchange of molecules between plants and feeding insects along with the associated microorganisms. We further provide a list of commonly identified inducible plant produced defensive molecules released upon insect attack as well as in response to OS treatments of the plants. Thus, we describe how plants specialized and defense-related metabolism is modulated at innumerable phases by OS during plant-insect interactions. A molecular understanding of these complex interactions will provide a means to design eco-friendly crop protection strategies.}, keywords = {Effector, Elicitor, Herbivore insects, Oral secretion, Plant defense, Suppressor}, issn = {0031-9422}, doi = {10.1016/j.phytochem.2021.113008}, author = {Kallure, Gopal S. and Kumari, Archana and Shinde, Balkrishna A. and Giri, Ashok P.} } @article {48166, title = {Colloidal MoS2 quantum dots for high-performance low power resistive memory devices with excellent temperature stability}, journal = {Applied Physics Letters}, volume = {120}, year = {2022}, month = {JUN}, pages = {253502}, type = {Article}, abstract = {

Conventional memory technologies are facing enormous problems with downscaling, and are hence unable to fulfill the requirement of big data storage generated by a huge explosion of digital information. A resistive random access memory device (RRAM) is one of the most emerging technologies for next-generation computing data storage owing to its high-density stacking, ultrafast switching speed, high non-volatility, multilevel data storage, low power consumption, and simple device structure. In this work, colloidal MoS2 quantum dots (QDs) embedded in an insulating matrix of poly-(4vinylpyridine) (PVP) were used as an active layer to fabricate a RRAM device. The MoS2 QDs-PVP based RRAM device reveals an excellent nonvolatile resistive switching (RS) behavior with a maximum current on-off ratio (I-ON/I-OFF) of 10(5). High endurance, long retention time, and successive {\textquoteleft}{\textquoteleft}write-read-erase-read{\textquoteright}{\textquoteright} cycles indicate high-performance RRAM characteristics. The ultimate power consumption by this RRAM device is considerably low for energy saving. In addition, the MoS2 QDs-PVP based device shows RS behavior even at 130 degrees C. High I-ON/I-OFF, low operating power, high endurance, long retention time, and excellent stability with temperatures reveal that the MoS2 QDs-PVP based device can be a promising candidate for high-performance low power RRAM devices that can be operated at relatively higher temperatures. Published under an exclusive license by AIP Publishing.

}, issn = {0003-6951}, doi = {10.1063/5.0094892}, author = {Bera, Jayanta and Betal, Atanu and Sharma, Ashish and Rath, Arup Kumar and Sahu, Satyajit} } @article {47671, title = {Combinatorial therapy using RNAi and curcumin nano-architectures regresses tumors in breast and colon cancer models}, journal = {Nanoscale}, volume = {14}, year = {2022}, month = {JAN }, pages = {492-505}, type = {Article}, abstract = {Cancer is a debilitating disease and one of the leading causes of death in the world. In spite of the current clinical management being dependent on applying robust pathological variables and well-defined therapeutic strategies, there is an imminent need for novel and targeted therapies with least side effects. RNA interference (RNAi) has gained attention due to its precise potential for targeting multiple genes involved in cancer progression. Nanoparticles with their enhanced permeability and retention (EPR) effect have been found to overcome the limitations of RNAi-based therapies. With their high transportation capacity, nanocarriers can target RNAi molecules to tumor tissues and protect them from enzymatic degradation. Accumulating evidence has shown that tyrosine kinase Ephb4 is overexpressed in various cancers. Therefore, we report here the development and pre-clinical validation of curcumin-chitosan-loaded: eudragit-coated nanocomposites conjugated with Ephb4 shRNA as a feasible bio-drug to suppress breast and colon cancers. The proposed bio-drug is non-toxic and bio-compatible with a higher uptake efficiency and through our experimental results we have demonstrated the effective site-specific delivery of this biodrug and the successfull silencing of their respective target genes in vivo in autochthonous knockout models of breast and colon cancer. While mammary tumors showed a considerable decrease in size, oral administration of the biodrug conjugate to Apc knockout colon models prolonged the animal survival period by six months. Hence, this study has provided empirical proof that the combinatorial approach involving RNA interference and nanotechnology is a promising alliance for next-generation cancer therapeutics.}, issn = {2040-3364}, doi = {10.1039/d1nr04411g}, author = {Kumar, Aviral and Singam, Amarnath and Swaminathan, Guruprasadh and Killi, Naresh and Tangudu, Naveen Kumar and Jose, Jedy and Gundloori, Rathna V. N. and Kumar, Lekha Dinesh} } @article {48074, title = {Comparative investigation on the catalytic performance of HT/SBA-15 and SBA-15/HT composites for the isomerization of glucose to fructose}, journal = {Materials Science and Engineering B-Advanced Functional Solid-State Materials}, volume = {286}, year = {2022}, month = {DEC}, pages = {116052}, type = {Article}, abstract = {

Hydrotalcites (HT) have a broad spectrum of applications as prosperous heterogeneous catalysts for diverse chemical transformations. The catalytic activity of HT-based materials can be tailored by introducing siliceous material into the internal or external framework. The surface modification of the HT framework with silica mesostructures leads to the formation of versatile Lewis base, Bronsted base and redox catalytic active sites. This work presents the comparative evaluation of the catalytic performance of HT/SBA-15 and SBA-15/HT composites for the isomerization of glucose to fructose using 1-butanol as a solvent. The composites with different external morphology were prepared by a modified template-assisted hydrothermal method, using different HT to SBA-15 proportions. The textural and morphological characterization results conferred the efficiency of the employed post-synthetic intercalation strategy to achieve the successful formation of HT/SBA-15 and SBA-15/HT composites. With optimal HT loading and surface basicity, the HTS-3 composite demonstrated the highest catalytic performance, resulting in good glucose conversions (54 \%) with improved selectivity (\>83 \%). The observed high reactivity could be mainly attributed to the extensive dispersion of HT particles on the SBA-15 component, which contributes to a significant increase in textural properties and surface basicity. Furthermore, special attention is devoted to addressing such reactivity phenomena as active site selectivity, catalyst multifunctionality and multisite reactivity commonly encountered in mesoporous catalysis.

}, keywords = {composites, glucose, hydrotalcite, isomerization, SBA-15}, issn = {0921-5107}, doi = {10.1016/j.mseb.2022.116052}, author = {Manikandan, Marimuthu and Arjunan, Ayyappan and Prabu, Marimuthu and Raja, Thirumalaiswamy and Sangeetha, Palanivelu} } @article {48115, title = {Composition and surface morphology invariant high on-off ratio from an organic memristor}, journal = {ACS Applied Electronic Materials}, volume = {4}, year = {2022}, month = {MAR }, pages = {1109-1116}, type = {Article}, abstract = {

Material composition plays a crucial role in the device performance; thus, nonvolatile memory devices from a small molecule named 5-mercapto-1-methyl tetrazole (MMT) in an insulating polymer matrix of poly(4-vinyl pyridine) (PVP) were fabricated. The composition of the active material in the device was varied to observe its influence on the device{\textquoteright}s electronic properties. The device with a more or less weight ratio of MMT has a much smoother surface morphology, whereas when the contributions of MMT and PVP were equal, the average surface roughness increased. However, the maximum on-off current ratio for all the devices is 10(5), suggesting that the MMT molecule does not show any change in its characteristic properties when surrounded by an insulating material. When the device was fabricated without the polymer matrix, the surface morphology of the device completely changed as it was filled with large holes. These holes provide short-circuited pathways for the current by forming the direct metal contact between the top and bottom electrodes. The carrier transport through these devices follows various conduction mechanisms. Some of the dominating conduction mechanisms are direct tunneling and trap-free and trap-assisted space-charge-limited conduction.

}, keywords = {Nonvolatile memory, Polymer, small molecule, space-charge, tunneling}, doi = {10.1021/acsaelm.1c01234}, author = {Betal, Atanu and Bera, Jayanta and Sharma, Ashish and Rath, Arup K. and Sahu, Satyajit} } @article {48122, title = {Co-Ni layered double hydroxide for the electrocatalytic oxidation of organic molecules: an approach to lowering the overall cell voltage for the water splitting process}, journal = {ACS Applied Materials \& Interfaces}, volume = {14}, year = {2022}, month = {APR}, pages = {16222-16232}, type = {Article}, abstract = {

Electrocatalytic oxidation of simple organic molecules oilers a promising strategy to combat the sluggish kinetics of the water oxidation reaction (WOR). The low potential requirement, inhibition of the crossover of gases, and formation of value-added products at the anode are benefits of the electrocatalytic oxidation of organic molecules. Herein, we developed cobalt-nickel-based layered double hydroxide (LDH) as a robust material for the electrocatalytic oxidation of alcohols and urea at the anode, replacing the WOR. A facile synthesis protocol to form LDHs with different ratios of Co and Ni is adapted. It demonstrates that the reactants could be efficiently oxidized to concomitant chemical products at the anode. The half-cell study shows an onset potential of 1.30 V for benzyl alcohol oxidation reaction (BAOR), 1.36 V for glycerol oxidation reaction (GOR), 1.33 V for ethanol oxidation reaction (EOR), and 1.32 V for urea oxidation reaction (UOR) compared with 1.53 V for WOR. Notably, the hybrid electrolyzer in a full-cell configuration significantly reduces the overall cell voltage at a 20 mA cm(-2) current density by similar to 15\% while coupling with the BAOR, EOR, and GOR and similar to 12\% with the UOR as the anodic half-cell reaction. Furthermore, the efficiency of hydrogen generation remains unhampered with the types of oxidation reactions (alcohols and urea) occurring at the anode. This work demonstrates the prospects of lowering the overall cell voltage in the case of a water electrolyzer by integrating the hydrogen evolution reaction with suitable organic molecule oxidation.

}, keywords = {electrocatalytic oxidation, energy conversion, imidazole mediated, Layered compounds, water splitting}, issn = {1944-8244}, doi = {10.1021/acsami.2c00982}, author = {Shilpa, Nagaraju and Pandikassala, Ajmal and Krishnaraj, Perayil and Walko, Priyanka S. and Devi, R. Nandini and Kurungot, Sreekumar} } @article {48372, title = {Conventional and microwave-assisted organic synthesis of novel antimycobacterial agents bearing furan and pyridine hybrids}, journal = {Drug Development Research}, volume = {83}, year = {2022}, month = {APR}, pages = {416-431}, type = {Article}, abstract = {

Drug resistance in tuberculosis poses a serious threat to humanity because currently available antitubercular drugs are ineffective against Mycobacterium tuberculosis (M. tuberculosis). As a result, the approval of Bedaquiline and Delamanid for the treatment of drug-resistant tuberculosis was accelerated. Still, there is an urgent need to search for new antitubercular drugs with novel mechanisms of action (MoA). Due to this, we have designed a synthetic strategy by utilizing microwave-assisted organic synthesis. We have compared our method with the conventional procedure, and the data show that our procedure is more effective in the preparation of title compounds. A unique series of 1-(2-(furan-2-yl)-5-(pyridin-4-yl)-1,3,4-oxadiazol-3(2H)-yl)-3-(aryl)-pr op-2-en-1-ones (5a-o) was synthesized utilizing conventional and microwave-assisted techniques. Synthetic compounds were investigated for antitubercular activity against Mycobacterium TB H37Ra and Mycobacterium bovis (M. bovis). Compound 5b was reported to be the most effective against M. tuberculosis H37Ra (97.69 percent inhibition at 30 mu g/ml) and M. bovis (97.09 percent inhibition at 30 mu g/ml). An in silico binding affinity study of mycobacterial enoyl-acyl carrier protein reductase (InhA) reveals the binding mechanism and thermodynamic interactions that determine these molecule{\textquoteright}s binding affinity. Compound 5b had a high glide score of -8.991 and low glide energy of -49.893 kcal/mol.

}, keywords = {Antitubercular activity, microwave-assisted organic synthesis, Molecular docking}, issn = {0272-4391}, doi = {10.1002/ddr.21872}, author = {Desai, Nisheeth C. and Bhatt, Kandarp and Jadeja, Dharmpalsinh J. and Mehta, Harsh K. and Khedkar, Vijay M. and Sarkar, Dhiman} } @article {48067, title = {Coordination flexibility aided CO2-specific gating in an iron isonicotinate MOF}, journal = {Chemistry-an Asian Journal}, volume = {17}, year = {2022}, month = {FEB}, pages = {e202101305}, type = {Article}, abstract = {

Coordination flexibility assisted porosity has been introduced into an Iron-isonicotinate metal-organic framework (MOF), (Fe(4-PyC)(2) . (OH). The framework showed CO2-specific gate opening behavior, which gets tuned as a function of temperature and pressure. The MOF {\textquoteleft} s physisorptive porosity towards CO2, CH4, and N-2 was investigated; it adsorbed only CO2 via a gate opening phenomenon. The isonicotinate, representing a borderline soft base, is bound to the hard Fe3+ centre through monodentate carboxylate and pyridyl nitrogen. This moderately weak binding enables isonicotinate to spin like a spindle under the CO2 pressure opening the gate for a sharp increase in CO2 uptake at 333 mmHg (At 298 K, the CO2 uptake increases from 0.70 to 1.57 mmol/g). We investigated the MOF {\textquoteleft} s potential for CO2/N-2 and CO2/CH4 gas separation aided by this gating. IAST model reveals that the CO2/N-2 selectivity jumps from 325 to 3131 when the gate opens, while the CO2/CH4 selectivity increases three times. Interestingly, this Fe-isonicotinate MOF did not follow the trend set by our earlier reported Hard-Soft Gate Control (established for isostructural M2+-isonicotinate MOFs (M=Mg, Mn)). However, we account for this discrepancy using the different oxidation state of metals confirmed by X-ray photoelectron spectroscopy and magnetism.

}, keywords = {CO2 capture, flexible MOF, gating, Isonicotinic}, issn = {1861-4728}, doi = {10.1002/asia.202101305}, author = {Singh, Himan Dev and Nandi, Shyamapada and Chakraborty, Debanjan and Singh, Kirandeep and Vinod, Chathakudath P. and Vaidhyanathan, Ramanathan} } @article {48207, title = {Copper(II) import and reduction are dependent on His-Met clusters in the extracellular amino terminus of human copper transporter-1}, journal = {Journal of Biological Chemistry}, volume = {298}, year = {2022}, month = {MAR}, pages = {101631}, type = {Article}, abstract = {

Copper(I) is an essential metal for all life forms. Though Cu(II) is the most abundant and stable state, its reduction to Cu(I) via an unclear mechanism is prerequisite for its bioutilization. In eukaryotes, the copper transporter-1(CTR1) is the primary high-affinity copper importer, although its mechanism and role in Cu(II) reduction remain uncharacterized. Here we show that extracellular amino-terminus of human CTR1 contains two methionine-histidine clusters and neighboring aspartates that distinctly bind Cu(I) and Cu(II) preceding its import. We determined that hCTR1 localizes at the basolateral membrane of polarized MDCK-II cells and that its endocytosis to Common-Recycling-Endosomes is regulated by reduction of Cu(II) to Cu(I) and subsequent Cu(I) coordination by the methionine cluster. We demonstrate the transient binding of both Cu(II) and Cu(I) during the reduction process is facilitated by aspartates that also act as another crucial determinant of hCTR1 endocytosis. Mutating the first Methionine cluster ((7)Met-Gly-Met(9)) and Asp(13)( )abrogated copper uptake and endocytosis upon copper treatment. This phenotype could be reverted by treating the cells with reduced and nonreoxidizable Cu(I). We show that histidine clusters, on other hand, bind Cu(II) and are crucial for hCTR1 functioning at limiting copper. Finally, we show that two N-terminal His-Met-Asp clusters exhibit functional complementarity, as the second cluster is sufficient to preserve copper-induced CTR1 endocytosis upon complete deletion of the first cluster. We propose a novel and detailed mechanism by which the two His-Met-Asp residues of hCTR1 amino-terminus not only bind copper, but also maintain its reduced state, crucial for intracellular uptake.

}, doi = {10.1016/j.jbc.2022.101631}, author = {Kar, Sumanta and Sen, Samarpita and Maji, Saptarshi and Saraf, Deepashri and Ruturaj and Paul, Rupam and Dutt, Sohini and Mondal, Basudeb and Rodriguez-Boulan, Enrique and Schreiner, Ryan and Sengupta, Durba and Gupta, Arnab} } @article {48070, title = {Covalent organic framework with electrodeposited copper nanoparticles - a desirable catalyst for the Ullmann coupling reaction}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {JUL}, pages = {15647-15656}, type = {Article}, abstract = {

A covalent organic framework is a porous covalently-linked polymeric assembly built from molecular lego blocks, the monomers. A COF{\textquoteright}s high surface area, ordered pores, and intrinsic low density makes it a perfect heterogeneous catalyst component. Dispersing catalytic metal nanoparticles into the porous COF matrix in a {\textquoteleft}capping-agent-free{\textquoteright} manner can aid the maximal utilization of the active sites. To generate single-site catalysts, metals have been anchored to dense supports, or metal ions have been coordinated to the porous organic framework. The latter has superior atom efficiency and a substrate diffusion advantage. Stably nestling neutral metallic clusters into open-framework supports with no specifically strong binding groups requires a different approach. If infused from extremely dilute electrolytes, metal clusters can be nanoconfined into electrically activated COFs. At low-loadings, it can resemble a single-site catalyst with high atom efficiency. Herein, we report the larger scale synthesis of IISERP-COF15 and electrochemical loading of copper nanoparticles into its pores at loadings as low as 3.34 wt\%. We employed classical Ullmann reactions to adjudge its activity. Typical turnover numbers for the catalysts reported in the literature are approximately 50-100. A Cu@COF shows high activity with a very low catalyst loading of 0.25 mol\% (TON around similar to 300-350 vs. 4 for neat CuCl2 center dot 2H(2)O (homogeneous catalyst) and turnover frequency (similar to 15-17 h(-1))). We recycled it for up to 3 cycles. Furthermore, we report a multi-fold Ullmann reaction producing an unreported hexaaldehyde to demonstrate the latitude of the catalyst. Our work points to the potential of a dilutely loaded metal@COF as a mimic of the single-site catalyst for synthesizing valuable C-O linked molecules. Our findings from computational modeling shed light on the role of the COF as an active nanoporous support for Ullmann C-O coupling.

}, issn = {2050-7488}, doi = {10.1039/d2ta01326f}, author = {Chandran, Chandana and Singh, Himan Dev and Leo, Liya S. and Shekhar, Pragalbh and Rase, Deepak and Chakraborty, Debanjan and Vinod, Chathakudath P. and Vaidhyanathan, Ramanathan} } @article {47624, title = {COVID-19 associated mucormycosis: evolving technologies for early and rapid diagnosis}, journal = {3 Biotech}, volume = {12}, year = {2022}, month = {JAN}, pages = {6}, type = {Review}, abstract = {The post-coronavirus disease (COVID-19) mucormycosis is a deadly addition to the pandemic spectrum. Although it{\textquoteright}s a rare, aggressive, and opportunistic disease, the associated morbidity and mortality are significant. The complex interplay of factors aggravating CAM is uncontrolled diabetes, irrational and excessive use of antibiotics, steroids, and an impaired immune system. Recently, India has been witnessing a rapid surge in the cases of coronavirus disease-associated mucormycosis (CAM), since the second wave of COVID-19. The devastating and lethal implications of CAM had now become a matter of global attention. A delayed diagnosis is often associated with a poor prognosis. Therefore, the rapid and early diagnosis of infection would be life-saving. Prevention and effective management of mucormycosis depend upon its early and accurate diagnosis followed by a multimodal therapeutic approach. The current review summarizes an array of detection methods and highlights certain evolving technologies for early and rapid diagnosis of CAM. Furthermore, several potential management strategies have also been discussed, which would aid in tackling the neglected yet fatal crisis of mucormycosis associated with COVID-19.}, keywords = {Biosensors, COVID-19, Diagnostics, Mucormycosis, Probiotics}, issn = {2190-572X}, doi = {10.1007/s13205-021-03080-4}, author = {Samson, Rachel and Dharne, Mahesh} } @article {46642, title = {Cyclic peptide engineered from phytocystatin inhibitory hairpin loop as an effective modulator of falcipains and potent antimalarial}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {40}, year = {2022}, month = {MAY}, pages = {3642-3654}, type = {Article}, abstract = {

Cystatins are classical competitive inhibitors of C1 family cysteine proteases (papain family). Phytocystatin superfamily shares high sequence homology and typical tertiary structure with conserved glutamine-valine-glycine (Q-X-V-X-G) loop blocking the active site of C1 proteases. Here, we develop a cysteine-bounded cyclic peptide (CYS-cIHL) and linear peptide (CYS-IHL), using the conserved inhibitory hairpin loop amino acid sequence. Using an in silico approach based on modeling, protein-peptide docking, molecular dynamics simulations and calculation of free energy of binding, we designed and validated inhibitory peptides against falcipain-2 (FP-2) and -3 (FP-3), cysteine proteases from the malarial parasite Plasmodium falciparum. Falcipains are critical hemoglobinases of P. falciparum that are validated targets for the development of antimalarial therapies. CYS-cIHL was able to bind with micromolar affinity to FP-2 and modulate its binding with its substrate, hemoglobin in in vitro and in vivo assays. CYS-cIHL could effectively block parasite growth and displayed antimalarial activity in culture assays with no cytotoxicity towards human cells. These results indicated that cyclization can substantially increase the peptide affinity to the target. Furthermore, this can be applied as an effective strategy for engineering peptide inhibitory potency against proteases.

}, keywords = {Cyclic peptide, falcipain inhibitors, falciparum, P, Phytocystatin, protein interaction mimics, protein\&\#8211}, issn = {0739-1102}, doi = {10.1080/07391102.2020.1848629}, author = {Mishra, Manasi and Singh, Vigyasa and Tellis, Meenakshi B. and Joshi, Rakesh S. and Pandey, Kailash C. and Singh, Shailja} } @article {48388, title = {[DBUH][OAc]-catalyzed domino synthesis of novel benzimidazole incorporated 3,5-Bis (Arylidene)-4-piperidones as potential antitubercular agents}, journal = {Polycyclic Aromatic Compounds}, volume = {42}, year = {2022}, month = {NOV}, pages = {7010-7024}, type = {Article}, abstract = {

A series of new benzimidazole incorporated 3,5-bis (arylidene)-4-piperidones were synthesized by using aryl aldehydes, piperidinone, 2-(chloromethyl)-benzimidazole and DBU acetate [DBUH][OAc] act as a catalyst under solvent free condition in excellent yields. The synthesized compounds were screened for their in vitro antimycobacterial activity against M. tuberculosis H37Ra (MTB) and M. bovis BCG strains. The compounds 4a, 4b, 4e, 4i, 4k and 4l are highly potent against both the strains. Most of the active compounds are non-cytotoxic against MCF-7, A549, HCT 116 and THP-1 cell lines. Furthermore, a molecular docking study of these compounds was carried out to investigate their binding pattern with the target, active site of mycobacterial enoyl-acyl carrier protein reductase (Inh A). Therefore, these compounds can be subjected for further optimization and drug development which could give promising chemical leads for treatment of TB.

}, keywords = {Antitubercular activity, curcumin, Cytotoxicity, Ionic liquid, multicomponent reactions}, issn = {1040-6638}, doi = {10.1080/10406638.2021.1995008}, author = {Subhedar, Dnyaneshwar D. and Shaikh, Mubarak H. and Nagargoje, Amol A. and Sarkar, Dhiman and Khedkar, Vijay M. and Shingate, Bapurao B.} } @article {47768, title = {Deciphering the sensing of alpha-amyrin acetate with hs-DNA: a multipronged biological probe}, journal = {RSC Advances}, volume = {12}, year = {2022}, month = {JAN}, pages = {1238-1243}, type = {Article}, abstract = {In this study, we focus on the biomimetic development of small molecules and their biological sensing with DNA. The binding of herring sperm deoxyribonucleic acid (hs-DNA) with naturally occurring bioactive small molecule alpha-amyrin acetate (alpha-AA), a biomimetic - isolated from the leaves of Ficus (F.) arnottiana is investigated. Collective information from various imaging, spectroscopic and biophysical experiments provides evidence that alpha-AA is a minor groove sensor of hs-DNA and preferentially binds to the A-T-rich regions. Interactions of different concentrations of small molecule alpha-AA with hsDNA were evaluated via various analytical techniques such as UV-Vis, circular dichroism (CD) and fluorescence emission spectroscopy. Fluorescence emission spectroscopy results suggest that alpha-AA decreases the emission level of hsDNA. DNA minor groove sensor Hoechst 33258 and intercalative sensor EB, melting transition analysis (T-M) and viscosity analysis clarified that alpha-AA binds to hs-DNA via a groove site. Biophysical chemistry and molecular docking studies show that hydrophobic interactions play a major role in this binding. The present research deals with a natural product biosynthesis-linked chemical-biology interface sensor as a biological probe for alpha-AA: hs-DNA.}, doi = {10.1039/d1ra07195e}, author = {Pansare, V. Amol and Shedge, Amol A. and Sonawale, Maryappa C. and Pansare, V. Shubham and Mahakal, Akshay D. and Khairkar, Shyam R. and Chhatre, Shraddha Y. and Kulal, Dnyaneshwar K. and Patil, Vishwanath R.} } @article {48224, title = {Design, synthesis of anticancer and anti-inflammatory 4-(1-methyl-1H-indol-3-yl)-6-(methylthio) pyrimidine-5-carbonitriles}, journal = {Synthetic Communications}, volume = {52}, year = {2022}, month = {MAR }, pages = {733-744}, type = {Article}, abstract = {

A novel series of 4-(1-methyl-1H-indol-3-yl)-6-(methylthio) pyrimidine-5-carbonitriles (4a-i) was synthesized and evaluated for anticancer potential against cell lines for breast cancer. Compounds 4b, 4e, and 4h exhibited prominent cytotoxicity against human breast carcinoma MCF-7 cell line with GI(50 )of 2.0, 0.5, and 0.5 mu M, respectively. Molecular docking study against EGFR tyrosine kinase could provide valuable insights into the plausible mechanism of action. The compounds could bind with significantly high binding affinity and their binding affinity scores could correlate well with the observed anticancer activity. Furthermore, compounds 4a, 4c, 4e, 4g, and 4i exhibited significant inflammatory activities as well which could expand the therapeutic domain of this novel series.

}, keywords = {Anti-inflammatory, Anticancer, Antioxidant, Indole, pyrimidine}, issn = {0039-7911}, doi = {10.1080/00397911.2022.2048860}, author = {Bhale, Pravin S. and Chavan, V. Hemant and Shringare, Sadanand N. and Khedkar, Vijay M. and Tigote, Radhakrishna M. and Mali, Nikita N. and Jadhav, Tukaram D. and Kamble, Nitin B. and Kolat, Swati P. and Bandgar, Babasaheb P. and Patil, Harshal S.} } @article {48349, title = {Detection of a target protein (GroEl2) in Mycobacterium tuberculosis using a derivative of 1,2,4-triazolethiols}, journal = {Molecular Diversity}, volume = {26}, year = {2022}, month = {OCT}, pages = {2535-2548}, type = {Article}, abstract = {

Herein, we identified a potent lead compound RRA2, within a series of 54 derivatives of 1,2,4-triazolethiols (exhibit good potency as an anti-mycobacterial agents) against intracellular Mycobacterium tuberculosis (Mtb). Compound RRA2 showed significant mycobactericidal activity against active stage Mycobacterium bovis BCG and Mtb with minimum inhibitory concentration (MIC) values of 2.3 and 2.0 mu g/mL, respectively. At MIC value, RRA2 compound yielded 0.82 log reduction of colony-forming unit (cfu) against non-replicating Mtb. Furthermore, RRA2 compound was selected for further target identification due to the presence of alkyne group, showing higher selectivity index (\> 66.66 +/- 0.22, in non-replicating stage). Using {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry, we synthesized the biotin linker-RRA2 conjugate, purified with HPLC method and confirmed the conjugation of biotin linker-RRA2 complex by HR-MS analysis. Furthermore, we successfully pulled down and identified a specific target protein GroEl2, from Mtb whole-cell extract. Furthermore, computational molecular modeling indicated RRA2 could interact with GroEl2, which explains the structure-activity relationship observed in this study.

}, keywords = {1, 2, 4-triazolethiols, GroEl2, Mycobactericidal activity, Mycobacterium bovis BCG, Mycobacterium tuberculosis}, issn = {1381-1991}, doi = {10.1007/s11030-021-10351-y}, author = {Sarkar, Sampa and Swami, Sagar and Soni, Sarvesh Kumar and Holien, Jessica K. and Khan, Arshad and Korwar, Arvind M. and Likhite, Anjali P. and Joshi, Ramesh A. and Joshi, Rohini R. and Sarkar, Dhiman} } @article {47798, title = {Dietary influence on modulation of Helicoverpa armigera oral secretion composition leading to differential regulation of tomato plant defense}, journal = {Plant Science}, volume = {314}, year = {2022}, month = {JAN}, pages = {111120}, type = {Article}, abstract = {Little is known about how different plant-based diets influence the insect herbivores{\textquoteright} oral secretion (OS) composition and eventually the plant defense responses. We analyzed the OS composition of the generalist Lepidopteran insect, Helicoverpa armigera feeding on the host plant tomato (OSH), non-host plant capsicum (OSNH), and artificial diet (OSAD) using Liquid Chromatography-Quadrupole Time of Flight Mass Spectrometry. Higher numbers and levels of alkaloids and terpenoids were observed in OSH and OSNH, respectively while OSAD was rich in phospholipids. Interestingly, treatment of H. armigera OSAD, OSH and OSNH on wounded tomato leaves showed differential expression of (i) genes involved in JA and SA biosynthesis and their responsive genes, and (ii) biosynthetic pathway genes of chlorogenic acid (CGA) and trehalose, which exhibited increased accumulation along with several other plant defensive metabolites. Specifically, high levels of CGA were detected after OSH and OSNH treatments in tomato leaves. There was higher expression of the genes involved in phenylpropanoid biosynthesis, which may lead to the increased accumulation of CGA and related metabolites. In the insect bioassay, CGA significantly inhibited H. armigera larval growth. Our results underline the differential accumulation of plant and insect OS metabolites and identified potential plant metabolite(s) affecting insect growth and development.}, keywords = {Chlorogenic acid, defense, Metabolites, Non-host, Oral secretion, trehalose}, issn = {0168-9452}, doi = {https://doi.org/10.1016/j.plantsci.2021.111120}, url = {https://www.sciencedirect.com/science/article/pii/S0168945221003162}, author = {Gopal S. Kallure and Balkrishna A. Shinde and Vitthal T. Barvkar and Archana Kumari and Ashok P. Giri} } @article {48197, title = {Dietary influence on modulation of Helicoverpa armigera oral secretion composition leading to differential regulation of tomato plant defense.}, journal = {Plant Science}, volume = {314}, year = {2022}, month = {JAN}, pages = {111120}, type = {Article}, abstract = {

Little is known about how different plant-based diets influence the insect herbivores{\textquoteright} oral secretion (OS) composition and eventually the plant defense responses. We analyzed the OS composition of the generalist Lepidopteran insect, Helicoverpa armigera feeding on the host plant tomato (OSH), non-host plant capsicum (OSNH), and artificial diet (OSAD) using Liquid Chromatography-Quadrupole Time of Flight Mass Spectrometry. Higher numbers and levels of alkaloids and terpenoids were observed in OSH and OSNH, respectively while OSAD was rich in phospholipids. Interestingly, treatment of H. armigera OSAD, OSH and OSNH on wounded tomato leaves showed differential expression of (i) genes involved in JA and SA biosynthesis and their responsive genes, and (ii) biosynthetic pathway genes of chlorogenic acid (CGA) and trehalose, which exhibited increased accumulation along with several other plant defensive metabolites. Specifically, high levels of CGA were detected after OSH and OSNH treatments in tomato leaves. There was higher expression of the genes involved in phenyl-propanoid biosynthesis, which may lead to the increased accumulation of CGA and related metabolites. In the insect bioassay, CGA significantly inhibited H. armigera larval growth. Our results underline the differential accumulation of plant and insect OS metabolites and identified potential plant metabolite(s) affecting insect growth and development.

}, keywords = {Chlorogenic acid, defense, Metabolites, Non-host, Oral secretion, trehalose}, issn = {0168-9452}, doi = {10.1016/j.plantsci.2021.111120}, author = {Kallure, Gopal S. and Shinde, Balkrishna A. and Barvkar, Vitthal T. and Kumari, Archana and Giri, Ashok P.} } @article {47898, title = {Diethyl phosphite-mediated switchable synthesis of bis(imidazoheterocycles) derived disulfanes and sulfanes using imidazoheterocycles and octasulfur}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {MAR }, pages = {4784-4791}, type = {Article}, abstract = {

A practical and highly efficient oxidative dual C-H sulfenylation of imidazoheterocycles using odorless, inexpensive elemental sulfur in DMSO to synthesize sulfur-bridged imidazoheterocycles under metal-free conditions is reported. The amount of diethyl phosphite and sulfur powder most attractively permits a tunable synthesis of bis(imidazoheterocycle)disulfanes and bis(imidazoheterocycle)sulfanes in good to high yields. A comprehensive substrate scope with a broad range of functional group tolerance was realized, and the efficacy of the process was proved at gram-scale reactions. Next, the bis(imidazopyridine)disulfanes were smoothly reacted with various indoles under similar conditions to form the corresponding imidazo[1,2-a]pyridine-indole-derived thioethers in high yields. A plausible mechanism has been proposed based on the control experiments.

}, issn = {1144-0546}, doi = {10.1039/d1nj05226h}, author = {Reddy, Raju Jannapu and Shankar, Angothu and Kumar, Jangam Jagadesh and Sharadha, Nunavath and Krishna, Gamidi Rama} } @article {48194, title = {Diversity assessment of Gloriosa superba accessions from Western Ghats of India based on morphological traits, ISSR markers and metabolite content}, journal = {Journal of Applied Research on Medicinal and Aromatic Plants}, volume = {30}, year = {2022}, month = {SEP}, pages = {100388}, type = {Article}, abstract = {

Gloriosa superba L. (glory lily) is a medicinally and horticulturally important plant used as a commercial source of the alkaloid colchicine. The Western Ghats in India is mostly unexplored for the morphological, genetic, and metabolite diversity of the species. In the current study, three methodologies were employed to assess the diversity among 50 established accessions of G. superba collected from several locations in the Western Ghats. The morphological analysis revealed that, among the studied traits, seed yield per vine and dry seed weight per 100 seeds for the established accessions were the most diverse traits. The former exhibited a significantly positive correlation with four vegetative and five yield traits. The first three principal components showed nine traits contributing to the variation. Intra-specific molecular variation based on inter simple sequence repeat markers distributed the accessions in three clusters with high polymorphism and low genetic diversity indices. Liquid chromatography high-resolution mass spectrometry analysis revealed significant variation among the screened accessions for colchicine content in tuber and seed tissue. Interestingly, an unexplored tissue, pod shell, was found to contain significantly high colchicine, which could be explored for commercial colchicine extraction. The morphogenetic and metabolite variation revealed by the study would be useful to develop elite varieties to expand the cultivation of glory lily across the country, fulfilling the increasing demand for colchicine and providing remunerative income to the farmers.

}, keywords = {Colchicine, Genetic diversity, Gloriosa superba, Metabolite diversity, Morphological diversity, Western Ghats}, doi = {10.1016/j.jarmap.2022.100388}, author = {Mahajan, Yogesh A. and Shinde, Balkrishna A. and Mulani, Fayaj A. and Gade, Akshay B. and Kasodekar, Amol K. and Thulasiram, H. V. and Kadoo, Narendra Y. and Nikam, Tukaram D.} } @article {48180, title = {DNA binding, antitubercular, antibacterial and anticancer studies of newly designed piano-stool ruthenium(ii) complexes}, journal = {Dalton Transactions}, volume = {51}, year = {2022}, month = {NOV }, pages = {16371-16382}, type = {Article}, abstract = {

The chemotherapeutic potential of ruthenium(ii) complexes has recently attracted researchers{\textquoteright} interest as antibacterial and anticancer agents. In this study, two novel half-sandwich imine-based Ru complexes ([Ru(p-cymene)Cl(L-1)][PF6] (Ru-1) and [Ru(p-cymene)Cl(L-2)][PF6] (Ru-2)) were reported for their deoxyribonucleic acid (DNA) binding and antitubercular, antibacterial, and anticancer activities. The molecular structure of Ru-2 was obtained by single-crystal X-ray crystallography. DNA interaction studies were conducted by UV-Vis absorbance and fluorescence spectral titration which gave rise to DNA binding constants (K-b) of 1.32 x 10(6) and 1.82 x 10(6) for Ru-1 and Ru-2, respectively and the Stern-Volmer binding constant (K-SV) values for Ru-1 and Ru-2 were 1.7763 x 10(4) M-1 and 7.6 x 10(3) M-1, respectively. The in vitro antitubercular activity was evaluated against Mycobacterium tuberculosis H37Ra. The antibacterial potential of both the Ru-complexes was examined against Gram-negative (Escherichia coli and Pseudomonas aeruginosa) and Gram-positive (Staphylococcus aureus and Bacillus subtilis) bacteria. The half-maximal inhibitory concentration (IC50) values for the antitubercular activity of Ru-1 and Ru-2 were 4.87 +/- 1.32 mu M and 5.78 +/- 0.54 mu M, respectively. A cytotoxic study of these complexes was performed against the human breast cancer cell line (MCF-7) and the human embryonic kidney cell line (HEK293) (normal cells). The study revealed meaningful activity of the Ru-1 complex against (cancer) MCF-7 cells, while the viability of HEK293 (normal) cells in the presence of Ru-2 was higher as compared to a reference drug 5FU. We suggest that these kinds of Ru-complexes could have potential for application in metallopharmaceuticals.

}, issn = {1477-9226}, doi = {10.1039/d2dt02577a}, author = {Navale, Govinda and Singh, Sain and Agrawal, Sonia and Ghosh, Chandrachur and Choudhury, Angshuman Roy and Roy, Partha and Sarkar, Dhiman and Ghosh, Kaushik} } @article {48396, title = {Dual-functional 3-acetyl-2,5-dimethylthiophene additive-assisted crystallization control and trap state passivation for high- performance perovskite solar cells}, journal = {ACS Applied Energy Materials}, volume = {5}, year = {2022}, month = {DEC }, pages = {14701-14711}, type = {Article}, abstract = {

Defect-mediated charge recombination and successive degradation mainly lag the performance of perovskite solar cells (PSCs). Insufficiency or evaporation of organic cations leaves behind the undercoordinated Pb2+ ions, which act as severe charge recombination centers. Herein, theoretical and experimental insights into crystallization control and defect passivation of MAPbI3 perovskite by the dual-functional 3-acetyl-2,5-dimethylthiophene (ADT) molecule are pre-sented. Density functional theory calculations show that both functional groups of ADT possessing different interaction energies could interact with PbI2. The carbonyl group in ADT shows the dominant interaction with Pb2+ forming an intermediate product that might decrease the crystallization rate. Further, the coordinate bonding between ADT and uncoordinated Pb2+ ions in perovskite leads to defect passivation. The 0.6\% ADT-modified PSCs possess an average power conversion efficiency (PCE) of 18.22 +/- 0.80\% and the highest PCE of 19.03\%, whereas the pristine PSCs exhibit an average PCE of 16.23 +/- 1.32\% and the highest PCE of 17.47\%. Furthermore, the modified PSCs maintain 80\% of the initial PCE up to 650 h during storage at ambient conditions (RH = 35 +/- 5\%). The present study shows that the simultaneous crystalization control and defect passivation achieved via an ADT additive engineering approach could be an efficient strategy to enhance the PCE and stability of PSCs.

}, keywords = {3-acetyl-2, 5-dimethylthiophene, additive engineering, crystallization control, defect passivation, Perovskite solar cells}, issn = {2574-0962}, doi = {10.1021/acsaem.2c01881}, author = {Saykar, Nilesh G. and Iqbal, Muzahir and Pawar, Mahendra and Chavan, Kashinath T. and Mahapatra, Santosh K.} } @article {48040, title = {Dynamic kinetic resolution of gamma,gamma-disubstituted indole 2-carboxaldehydes via NHC-Lewis acid cooperative catalysis for the synthesis of tetracyclic epsilon-lactones}, volume = {13}, year = {2022}, month = {OCT}, pages = {11513-11518}, type = {Article}, abstract = {

The ubiquity of epsilon-lactones in various biologically active compounds inspired the development of efficient and enantioselective routes to these target compounds. Described herein is the enantioselective synthesis of indole-fused epsilon-lactones by the N-heterocyclic carbene (NHC)-Lewis acid cooperative catalyzed dynamic kinetic resolution (DKR) of in situ generated gamma,gamma-disubstituted indole 2-carboxaldehydes. The Bi(OTf)(3)-catalyzed Friedel-Crafts reaction of indole-2-carboxaldehyde with 2-hydroxy phenyl p-quinone methides generates gamma,gamma-disubstituted indole 2-carboxaldehydes, which in the presence of NHC and Bi(OTf)(3) afforded the desired tetracyclic epsilon-lactones in up to 93\% yield and \>99 : 1 er. Moreover, preliminary studies on the mechanism of this formal [4 + 3] annulation are also provided.

}, issn = {2041-6520}, doi = {10.1039/d2sc03745a}, author = {Balanna, Kuruva and Barik, Soumen and Shee, Sayan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48231, title = {Effect of oxalic acid and sulphuric acid hydrolysis on the preparation and properties of pineapple pomace derived cellulose nanofibers and nanopapers}, journal = {International Journal of Biological Macromolecules}, volume = {209}, year = {2022}, month = {JUN }, pages = {1745-1759}, type = {Article}, abstract = {

Nanocellulose is the {\textquoteleft}{\textquoteleft}green magnet{\textquoteright}{\textquoteright} which attracts a wide spectrum of industries towards it due to its availability, biodegradability, and possible smart applications. For the first time, pineapple pomace was being explored as an economic precursor for cellulose nanofibers. Nanofiber isolation was accomplished using a chemo-mechanical method and solution casting was adopted for the development of nanopapers. Moreover, the study examines the structural, optical, crystalline, dimensional, and thermal features of nanofibers isolated using different acid hydrolysis (oxalic acid and sulphuric acid) methods. Fourier-transform infra-red spectroscopy, 13C solid-state nuclear magnetic resonance spectroscopy, and X-ray diffraction analysis indicated the presence of type I cellulose. The transmittance, crystallinity index, and thermal stability of PPNFS (sulphuric acid treated fiber) were greater than PPNFO (oxalic acid treated fiber). The transmission electron microscopy and dynamic light scattering analysis confirmed the nanodimension of PPNFO and PPNFS. While comparing the optical and mechanical properties of nanopapers, PPNFS outperforms PPNFO. The tensile strength of the prepared nanopapers (64 MPa (PPNFO) and 68 MPa (PPNFS)) was found to be high compared to similar works reported in the literature. The prepared nanopaper is proposed to be used for food packaging applications.

}, keywords = {cellulose nanofibers, Cellulosic nanopapers, Pineapple pomace}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2022.04.138}, author = {Neenu, K. V. and Dominic, C. D. Midhun and Begum, P. M. Sabura and Parameswaranpillai, Jyotishkumar and Kanoth, Bipinbal Parambath and David, Deepthi Anna and Sajadi, S. Mohammad and Dhanyasree, P. and Ajithkumar, T. G. and Badawi, Michael} } @article {47719, title = {The effects of cis and trans butenedioic acid on the physicochemical behavior of lumefantrine}, journal = {Crystengcomm}, volume = {24}, year = {2022}, month = {JAN }, pages = {156-168}, type = {Article}, abstract = {The present work investigates the effects of cis and trans butenedioic acid isomers (maleic acid and fumaric acid) on the crystallinity and pharmaceutical behavior of lumefantrine. Differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD), attenuated total reflectance infrared spectroscopy (ATR-IR), solid-state nuclear magnetic resonance spectroscopy (ss-NMR), and single-crystal X-ray diffraction (SC-XRD) studies were employed. Lumefantrine-fumaric acid crystallized as a salt in the monoclinic space group P2(1)/c. In comparison, DSC and PXRD showed the formation of a co-amorphous solid with maleic acid. Complete proton transfer with a strong ionic interaction led to crystalline salt formation with the trans isomer, whereas weaker/fewer hydrogen bonds with the cis isomer of butenedioic acid led to a co-amorphous salt. The in vitro dissolution of both salts resulted in a similar 2.6-2.7-fold improvement in dissolution rate when compared to that of the crystalline lumefantrine. The crystalline and co-amorphous salts were stable under accelerated stability conditions (40 +/- 2 degrees C and 75 +/- 5\% RH) for one month.}, doi = {10.1039/d0ce01709d}, author = {Tomar, Devendrasingh and Lodagekar, Anurag and Gunnam, Anilkumar and Allu, Suryanarayana and Chavan, Rahul B. and Tharkar, Minakshi and Ajithkumar, T. G. and Nangia, Ashwini K. and Shastri, Nalini R.} } @article {48169, title = {Efficient cascade C-N coupling reactions catalyzed by a recyclable MoOx/ Nb2O5 nanomaterial for valuable N-heterocycles synthesis}, journal = {Molecular Catalysis}, volume = {532}, year = {2022}, month = {NOV}, pages = {112742}, type = {Article}, abstract = {

The efficient cascade synthesis of pharmaceutically valuable N-heterocycles at solvent-free conditions was achieved using a robust, recyclable MoOx/Nb2O5 nanocatalyst. The results of catalyst screening revealed that the MoOx/Nb2O5 nanorods, calcined at 500 degrees C (MoNb5), exhibit excellent catalytic activity in the oxidative coupling of benzylamine with 96.5\% conversion and \>99.6\% selectivity to the desirable imine product. The uniform dispersion of Mo-oxide nanoparticles (average particle size: 5.2 +/- 0.5 nm) on shape-controlled Nb2O5 nanorods (width: 5.3 +/- 0.5 nm and length: 23-38 nm) in MoNb5 catalyst led to improved structural and acid properties, beneficial for the cascade C-N bond construction. The shape-controlled MoNb5 catalyst showed versatile activity in various cascade C-N coupling reactions to obtain 2-phenylbenzimidazole, 2-phenyl-quinaxoline, and 2-phenyl-2,3-dihydroquinazolin-4(1H)-one with good to excellent yields at solvent-free con-ditions. The optimum ratio of Lewis/Bronsted acid sites, the unique structure of Nb2O5 nanorods, and the strong MoO3-Nb2O5 interaction are the key reasons for the higher activity of MoNb5 catalyst. The efficient reusability of MoNb5 catalyst, its remarkable activity in diverse N-heterocycles synthesis, and efficient gram-scale synthesis emphasize its practical application for the cascade C-N coupling reactions under benign conditions.

}, keywords = {Acid sites optimization, Cascade C-N bond formation, Diverse nitrogenous chemicals, Heterogeneous nanosized catalyst, MoO3-Nb2O5 interaction, Nb2O5 nanorods}, issn = {2468-8231}, doi = {10.1016/j.mcat.2022.112742}, author = {Singh, Nittan and Kalbande, Pavan Narayan and Umbarkar, Shubhangi and Sudarsanam, Putla} } @article {48101, title = {Efficient synthesis of 5-(hydroxymethyl)furfural esters from polymeric carbohydrates using 5-(chloromethyl)furfural as a reactive intermediate}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {10}, year = {2022}, month = {MAY}, pages = {5803-5809}, type = {Article}, abstract = {

This work reports an efficient, gram-scale synthesis of 5-(hydroxymethyl)furfural (HMF) esters using biomass-derived 5-(chloromethyl)furfural (CMF) as a reactive intermediate. The HMF-esters have potential applications as chemicalintermediates, fuel additives, and bioactive compounds. Initially, CMF was prepared in good yields directly from polymericcarbohydrates (starch, inulin, and cellulose) and cellulosic materials (cotton andfilter paper) using a biphasic batch reaction system,consisting of aqueous hydrochloric acid and 1,2-dichloroethane. The use of ZnCl2as an additive allowed the reaction to proceedunder milder conditions while significantly improving the isolated yield of CMF. The effects of reaction temperature, reaction time,extracting solvent, and ZnCl2loading on CMF yield were investigated. Microcrystalline cellulose was converted into CMF with a72\% isolated yield under optimized reaction conditions (80 degrees C, 2 h). After that, CMF was transformed into various novel esters ofHMF in excellent isolated yields (\>85\%) by reacting with a slight excess amount of the triethylammonium salt of various alkyl/arylcarboxylic acids under solvent-free conditions

}, keywords = {catalysis, cellulose, furanics, HMF-esters, renewable synthesis}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.1c08571}, author = {Bhat, Navya Subray and Hegde, Shobhita L. and Dutta, Saikat and Sudarsanam, Putla} } @article {48022, title = {Electrochemically tuned synergistic nano-interface of a tertiary Ni(OH)(2)-NiO(OH)/NixP heterojunction material for enhanced and durable alkaline water splitting}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {AUG}, pages = {e202201171}, type = {Article}, abstract = {

Making water splitting cheaper is the need of the hour.The present work reports a nickel-based, non-precious catalytic system, synthesized by a two-step electrodeposition (ED) process followed by a short-term heat treatment. The Ni(OH)(2)-NiO(OH)/NixP heterojunction has been synthesized and optimized through an unprecedented, energy-conserving method to achieve its best OER performance. Further, it has been carefully tuned for the first time by thoroughly optimizing the ED parameters to exhibit Hydrogen Evolution Reaction (HER). At high current regimes, the performance surpassed that of the Ru/C and Pt/C (\>= 500 mA and \>= 600 mA) respectively. The full cell electrolyzer configuring NOPO||NOPH further establishes the supremacy of the present electrocatalysts over the benchmark Ru/C||Pt/C. Moreover, the present electrocatalyst displayed 60 and 70 hours of HER and OER performances at -100 mA and 100 mA currents respectively. In short, this work is an example that illustrates how a single chemical system gets to exhibit two complementary catalytic behaviors that is, water oxidation and reduction when certain synthetic parameters are meticulously optimized.

}, keywords = {Electrodeposition, heterojunction, Ni(OH)(2)-NiO(OH), NixP, non-precious metal, water splitting}, issn = {2365-6549}, doi = {10.1002/slct.202201171}, author = {Manappadan, Zinoy and Selvaraj, Kaliaperumal} } @article {48412, title = {Electrospun zinc-manganese bimetallic oxide carbon nanofibers as freestanding supercapacitor electrodes}, journal = {International Journal of Energy Research}, volume = {46}, year = {2022}, month = {DEC}, pages = {22100-22112}, type = {Article}, abstract = {

Flexible, lightweight, and freestanding zinc-manganese oxide carbon nanofibers are promising materials for the fabrication of portable electronic devices. Composite nanofibers were synthesized using terephthalic acid and sodium dodecyl sulfate. Terephthalic acid improves the flexibility of the composite fibers and facilitates the diffusion of electrolytic ions. Meanwhile, sodium dodecyl sulfate aids to elevate the metal (zinc) oxide particles to the surface of the nanofibers during annealing. The texturing of the carbon nanofiber surface with ZnO enhances the electrochemical activity of the composite fibers. Parametric studies were conducted by varying the weight ratio of zinc and manganese acetates from zero to unity. The optimal case with a ratio of 0.75 produces specific capacitances of 1080 and 817 F center dot g(-1) at current densities of 1 and 10 A center dot g(-1), respectively, with a wide potential window of 1.6 V, indicating outstanding energy storage capabilities. The capacitance retention was 92\% after 10 000 galvanostatic charge-discharge cycles. The bending angle test confirmed the mechanical durability of the freestanding carbon nanofiber electrodes, and the corresponding change in the cyclic voltammetry curve was negligible.

}, keywords = {electrospinning, freestanding electrode, high-energy-density, supercapacitor, ZnMn2O4}, issn = {0363-907X}, doi = {10.1002/er.7719}, author = {Joshi, Bhavana and Samuel, Edmund and Kim, Yongil and Kim, Taegun and El-Newehy, Mohamed and Aldalbahi, Ali and Yoon, Sam S.} } @article {48410, title = {Elliptically birefringent chemically tuned liquid crystalline nanocellulose composites for photonic applications}, journal = {Journal of Molecular Liquids}, volume = {366}, year = {2022}, month = {NOV }, pages = {120326}, type = {Article}, abstract = {

Cellulose nanocrystals (CNCs) based photonic materials are one of the promising materials in the recent trends. The liquid crystalline behavior of the CNCs can be tailored to different advanced applications. The proposed research investigates the potential of CNCs as an optically active material. CNCs were tuned to hydroxypropyl nano cellulose (HPNC) with the degree of substitution 1.39. The prepared liquid crystalline HPNC were dispersed in various concentrations of monomethyl ether of polyethylene glycol to get waterborne materials with specific optical anisotropy. The extraction, modification, and morphology of the CNCs were investigated using NMR (Nuclear Magnetic Resonance), TEM (Transmission Electron Microscopy), XRD (X-ray Powder Diffraction), and FESEM (Field Emission Scanning Electron Microscopy) analysis. The prepared HPNC was analyzed using a hot stage POM (Polarized Optical Microscope) for optical anisotropy. The thermal stability of prepared CNCs and HPNC was also investigated. Upon optimization using rheology and POM, it was found that at the ratio of 1:1, HPNC (5 wt\%) and mPEG (40 wt\%) had the most distinct optical properties. The potential of the prepared materials can be further explored in sensing, smart coating, and security materials. (C) 2022 Elsevier B.V. All rights reserved.

}, keywords = {bagasse, Cellulose nanocrystals, Elliptical birefringence, liquid crystals, optical anisotropy}, issn = {0167-7322}, doi = {10.1016/j.molliq.2022.120326}, author = {Singh, Shiva and Bhardwaj, Shakshi and Verma, Chhavi and Chhajed, Monika and Balayan, Kajal and Ghosh, Kaushik and Maji, Pradip K.} } @article {48229, title = {Elucidating the influence of structure and Ag+ -Na+ ion-exchange on crack-resistance and ionic conductivity of Na3Al1.8Si1.65 P-1.8 O-12 glass electrolyte}, journal = {Acta Materialia}, volume = {227}, year = {2022}, month = {APR }, pages = {117745}, type = {Article}, abstract = {

Glasses are emerging as promising and efficient solid electrolytes for all-solid-state sodium-ion batteries. However, they still suffer from poor ionic conductivity and crack-resistance, which need to be improved for better battery performance, reliability, and service life. The current study shows a significant enhancement in crack resistance (from 11.3 N to 32.9 N) for Na3Al (1.8) Si-1.65 P1.8O12 glass (Ag-0 glass) upon Na+ -Ag+ ion-exchange (IE) due to compressive stresses generated in the glass surface while the ionic conductivity values (similar to 10(-5) S/cm at 473 K) were retained. In this study, magic angle spinning-nuclear magnetic resonance (MAS-NMR), molecular dynamics (MD) simulations, Vickers micro hardness, and impedance spectroscopic techniques were used to evaluate the intermediate-range structure, atomic structure, crack resistance and conductivity of the glass. MAS-NMR and MD simulations confirm the presence of Si-OAl-O-P groups in the glass, thus enabling formation of Na percolated channel regions. AC-conductivity analysis for Ag-0 and ion-exchanged Ag-0 glass suggests that the mobility of Na+ ion increases with increasing temperature. It is observed that the measured mean square displacement (root \< R-2(t(p))\>) for sodium cations using AC-conductivity isotherms is nearly constant up to 448 K and then increases with increasing temperature up to 523 K. From the impedance spectra for ion-exchanged Ag-0 glass, it is identified that the increase in root \< R-2 (t(nu))\> and thereby, the mobility of sodium-ions for Ag-0 glass is due to the structural variations in the Ag-0 glass with increasing the temperature. Overall, the mechanisms presented in this article helps in formulating better glass based electrolyte materials for room temperature or high temperature sodium-ion batteries. (C) 2022 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

}, keywords = {amorphous, Ion-exchange, Ionic-conductivity, MD simulations, Mechanical property}, issn = {1359-6454}, doi = {10.1016/j.actamat.2022.117745}, author = {Keshri, Shweta R. and Mandal, Indrajeet and Ganisetti, Sudheer and Kasimuthumaniyan, S. and Kumar, Rajesh and Gaddam, Anuraag and Shelke, Ankita and Ajithkumar, Thalasseril G. and Gosvami, Nitya Nand and Krishnan, N. M. Anoop and Allu, Amarnath R.} } @article {47993, title = {Emerging landscape of molecular interaction networks: opportunities, challenges and prospects}, journal = {Journal of Biosciences}, volume = {47}, year = {2022}, month = {APR}, pages = {24}, type = {Review}, abstract = {

Network biology finds application in interpreting molecular interaction networks and providing insightful inferences using graph theoretical analysis of biological systems. The integration of computational bio-modelling approaches with different hybrid network-based techniques provides additional information about the behaviour of complex systems. With increasing advances in high-throughput technologies in biological research, attempts have been made to incorporate this information into network structures, which has led to a continuous update of network biology approaches over time. The newly minted centrality measures accommodate the details of omics data and regulatory network structure information. The unification of graph network properties with classical mathematical and computational modelling approaches and technologically advanced approaches like machine-learning- and artificial intelligence-based algorithms leverages the potential application of these techniques. These computational advances prove beneficial and serve various applications such as essential gene prediction, identification of drug-disease interaction and gene prioritization. Hence, in this review, we have provided a comprehensive overview of the emerging landscape of molecular interaction networks using graph theoretical approaches. With the aim to provide information on the wide range of applications of network biology approaches in understanding the interaction and regulation of genes, proteins, enzymes and metabolites at different molecular levels, we have reviewed the methods that utilize network topological properties, emerging hybrid network-based approaches and applications that integrate machine learning techniques to analyse molecular interaction networks. Further, we have discussed the applications of these approaches in biomedical research with a note on future prospects.

}, keywords = {Centrality, disease mechanisms, hybrid network-based models, machine learning, molecular interaction networks, network topology, systems biology}, issn = {0250-5991}, doi = {10.1007/s12038-022-00253-y}, author = {Panditrao, Gauri and Bhowmick, Rupa and Meena, Chandrakala and Sarkar, Ram Rup} } @article {48358, title = {Enantioselective synthesis of dihydrothiopyranones via NHC- catalyzed [3+3] annulation of 2-bromoenals with beta-oxodithioesters}, journal = {Organic Letters}, volume = {24}, year = {2022}, month = {DEC}, pages = {8848-8853}, type = {Article}, abstract = {

The N-heterocyclic carbene (NHC)-organocata-lyzed [3 + 3] annulation of 2-bromoenals with fi-oxodithioesters resulting in the enantioselective synthesis of dihydrothiopyranones is presented. The chiral a,fi-unsaturated acylazoliums generated from 2-bromoenals and carbenes underwent smooth interception with the sulfur nucleophiles to furnish the sulfur heterocycles in satisfactory yields/selectivity. The regioselective formation of dihydrothiopyranones over the competing dihydropyranones is noteworthy.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.2c03642}, author = {Barik, Shilpa and Shee, Sayan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48114, title = {Enceleamycins A-C, furo-naphthoquinones from amycolatopsis sp. MCC0218: isolation, structure elucidation, and antimicrobial activity}, journal = {Journal of Natural Products}, volume = {85}, year = {2022}, month = {MAY}, pages = {1267-1273}, type = {Article}, abstract = {

Three novel furo-naphthoquinones, enceleamycins A-C (1-3), and a new N-hydroxypyrazinone acid (4) were identified from the strain Amycolatopsis sp. MCC 0218, isolated from a soil sample collected from the Western Ghats of India. Their chemical structure and absolute and relative configurations were established by 1D and 2D NMR spectroscopy, single-crystal X-ray crystallography, and high-resolution mass spectrometry. Compounds 1 and 3 were active against methicillin-susceptible and -resistant Staphylococcus aureus with MIC values of 2-16 mu g/mL.

}, issn = {0163-3864}, doi = {10.1021/acs.jnatprod.1c01160}, author = {Khan, Abujunaid and Said, Madhukar S. and Borade, Balasaheb R. and Gonnade, Rajesh and Barvkar, Vitthal and Kontham, Ravindar and Dastager, Syed G.} } @article {48348, title = {Engineering nucleotide sugar synthesis pathways for independent and simultaneous modulation of N-glycan galactosylation and fucosylation in CHO cells}, journal = {Metabolic Engineering}, volume = {74}, year = {2022}, month = {NOV}, pages = {61-71}, type = {Article}, abstract = {

Glycosylation of recombinant therapeutics like monoclonal antibodies (mAbs) is a critical quality attribute. N-glycans in mAbs are known to affect various effector functions, and thereby therapeutic use of such glycoproteins can depend on a particular glycoform profile to achieve desired efficacy. However, there are currently limited options for modulating the glycoform profile, which depend mainly on over-expression or knock-out of glyco-syltransferase enzymes that can introduce or eliminate specific glycans but do not allow predictable glycoform modulation over a range of values. In this study, we demonstrate the ability to predictably modulate the gly-coform profile of recombinant IgG. Using CRISPR/Cas9, we have engineered nucleotide sugar synthesis pathways in CHO cells expressing recombinant IgG for combinatorial modulation of galactosylation and fucosylation. Knocking out the enzymes UDP-galactose 4 {\textquoteleft}-epimerase (Gale) and GDP-L-fucose synthase (Fx) resulted in ablation of de novo synthesis of UDP-Gal and GDP-Fuc. With Gale knock-out, the array of N-glycans on recom-binantly expressed IgG is narrowed to agalactosylated glycans, mainly A2F glycan (89\%). In the Gale and Fx double knock-out cell line, agalactosylated and afucosylated A2 glycan is predominant (88\%). In the double knock-out cell line, galactosylation and fucosylation was entirely dependent on the salvage pathway, which allowed for modulation of UDP-Gal and GDP-Fuc synthesis and intracellular nucleotide sugar availability by controlling the availability of extracellular galactose and fucose. We demonstrate that the glycoform profile of recombinant IgG can be modulated from containing predominantly agalactosylated and afucosylated glycans to up to 42\% and 96\% galactosylation and fucosylation, respectively, by extracellular feeding of sugars in a dose-dependent manner. By simply varying the availability of extracellular galactose and/or fucose, galactosylation and fucosylation levels can be simultaneously and independently modulated. In addition to achieving the pro-duction of tailored glycoforms, this engineered CHO host platform can cater to the rapid synthesis of variably glycoengineered proteins for evaluation of biological activity.

}, keywords = {Antibody, Cell engineering, Fucosylation, Fx, Galactosylation, Gale, glycosylation, Nucleotide sugar synthesis, Recombinant therapeutics}, issn = {1096-7176}, doi = {10.1016/j.ymben.2022.09.003}, author = {Prabhu, Anuja and Shanmugam, Dhanasekaran and Gadgil, Mugdha} } @article {48225, title = {Enhanced hydrogen fuel production using synergistic combination of solar radiation and TiO2 photocatalyst coupled with Burkholderia cepacia lipase}, journal = {International Journal of Hydrogen Energy}, volume = {47}, year = {2022}, month = {APR }, pages = {14483-14492}, type = {Article}, abstract = {

Promising and sustainable alternatives for hydrogen production have been investigated. Among these, the use of enzymes may represent an efficient alternative. In this work, an increase in hydrogen production under simulated sunlight by combining TiO2 and TiO2/MgCl2 with Burkholderia cepacia lipase (BCL) was reported. The samples (TiO2, TiO2/MgCl2, and TiO2 /MgCl2/BCL) were characterized by X-ray diffraction (XRD), thermo-gravimetric (TGA), N-2 adsorption-desorption isotherms (BET), scanning electron microscopy (SEM), and UV-Visible absorption spectra. Hydrogen production tests were performed in aqueous methanol solutions under simulated sunlight. The results demonstrated that 130-times greater increase in hydrogen production rate was observed by the addition of BCL than individual TiO2. This better hydrogen production rate can be attributed to the increase in the amount of reduction equivalent of the system due to the oxidation of protein peptides caused by TiO2. In conclusion, the results indicate that hydrogen production efficiency can be significantly improved when integrating TiO2/MgCl2 with BCL. (C) 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {hydrogen production, Lipase, Nano-conjugated enzymes, Photocatalyst, Solar radiation, Titanium dioxide}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2022.02.220}, author = {de Souza Brandao, Luma Mirely and Barbosa, Milson dos Santos and de Jesus, Roberta Anjos and Bharad, Pradnya Arunrao and Lima, Alvaro Silva and Faria Soares, Cleide Mara and Navarro Yerga, Rufino Manuel and Bilal, Muhammad and Romanholo Ferreira, Luiz Fernando and Iqbal, Hafiz M. N. and Gopinath, Chinnakonda S. and Figueiredo, Renan Tavares} } @article {47759, title = {Facile fabrication of nano silver phosphate on B-doped g-C3N4: an excellent p-n heterojunction photocatalyst towards water oxidation and Cr (VI) reduction}, journal = {Journal of Alloys and Compounds}, volume = {898}, year = {2022}, month = {MAR}, pages = {162853}, type = {Article}, abstract = {A photostable Ag3PO4/BCN type-II p-n heterojunction has been demonstrated by loading nano Ag3PO4 on B-doped g-C3N4 nanosheet (BCN). The photocatalysts were successfully characterized by various physicochemical techniques and their photocatalytic activities were tested towards the water oxidation reaction to produce oxygen and Cr (VI) reduction under visible light. The HRTEM confirms Ag3PO4 with a particle size of 15 nm has been deposited on BCN to construct a p-n heterojunction. The BCNS-50 absorbs more visible light in the solar spectrum as compared to other catalyst, demonstrating the ability to generate 587 mu mol h(-1)g(-1) O-2 and reduces 98\% of 20 ppm Cr (VI) solution in 1 h. The lower PL intensity as well as lower arc value in case of BCNS-50 suggests the maximum e-h separation and lower charge transfer resistance across the semiconductor/electrolyte interface. The BCN sheet provides a compact heterojunction where the oxidation peak of Ag3PO4 decreases gradually and disappear in case of BCNS-50 suggesting the enhance stability of Ag3PO4 in the heterojunction. BCNS-50 could able to produce -139 and 3087.5 mu A photocurrent both in cathodic and anodic direction which is approximately 7 and 2.4 folds higher as compared to nano Ag3PO4. The generation of photocurrent in both cathodic and anodic direction confirms the formation of p-n heterojunction which further supported by Mott-Schottky analysis. Furthermore the construction of the p-n heterojunction is verified via Mott-Schottky study. DFT calculation explains the contribution of various atomic orbital of Ag3PO4 and BCN towards the formation of hybrid orbital in the heterojunction and the path for charge delocalization between them. This work may provide a limelight and alternative pathway for enhanced photocatalytic performance on construction of the p-n heterojunction in a simple way. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Cr (VI) reduction, Density functional theory, Interfacial zone, p-n heterojunction, Photocatalyst, Water oxidation}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.162853}, author = {Sahoo, Mitarani and Babu, Pradeepta and Singh, Chandrodai Pratap and Krishnamurty, Sailaja and Parida, Kulamani} } @article {48147, title = {Facile synthesis of nanocomposites of CNF-Sn and C-Sn microspheres: Prospective field emitter}, journal = {Journal of Alloys and Compounds}, volume = {907}, year = {2022}, month = {JUN }, pages = {164318}, type = {Article}, abstract = {

We report synthesis of Carbon nanofibers (CNFs) and hybrid nanocomposites namely, CNF-Sn and C-Sn microspheres using simple electrospinning technique, followed by annealing in controlled atmosphere. The as-prepared materials were characterized using X-raydiffraction (XRD), Field emission scanning electron microscopy (FESEM), Transmission electron microscopy (TEM), Ultra-violet photoelectron spectroscopy (UPS), and Raman spectroscopy to reveal their physico-chemical properties. As carbon family members are potential materials for field emission (FE) based applications, owing to their high aspect ratio FE characteristics of the synthesized materials were explored at base pressure of 1 x 10(-8) mbar. Interestingly, the hybrid nanocomposite CNF-Sn and C-Sn emitters showed improved FE behavior (with the turn-on field of 3.4 and 1.36 V/mu m, respectively) in contrast to the pristine CNFs emitter (turn-on field of 5.4 V/mu m). Furthermore, the maximum emission current density is substantially enhanced, 7.75 and 4.6 mA/cm(2) for CNF-Sn and C-Sn emitters, respectively. The improvement in the FE behavior of nanocomposite emitters is attributed to the combined effect of morphology and modulation of electronic properties at the interface of nanocomposites. The results confirm that FE characteristics of pristine nanostructures can be greatly improved upon formation of their nanocomposites and this approach can be extended to other nanostructures for improving their multi-functionalities. (c) 2022 Elsevier B.V. All rights reserved.

}, keywords = {carbon nanofiber, electrospinning, field emission, Nanocomposite, Tin}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2022.164318}, author = {Badadhe, Satish S. and Yadav, Poonam and Suryawanshi, Sachin and More, Mahendra A.} } @article {48050, title = {Facile synthesis of the spiro-pyridoindolone scaffold via a gold-catalysed intramolecular alkynol cyclisation/hydroindolylation}, journal = {Organic \& Biomolecular Chemistry}, volume = {20}, year = {2022}, month = {MAR}, pages = {d1ob02483c}, type = {Article}, abstract = {

A simple approach for the synthesis of pyridoindolone scaffolds with a spiroannulated tetrahydrofuran ring is described. The overall process comprises intramolecular sequential gold-catalysed 5-endo-dig alkynol cycloisomerization and subsequent addition of indole C2 to the in situ generated oxocarbenium cation.

}, issn = {1477-0520}, doi = {10.1039/d1ob02483c}, author = {Shinde, Mahesh H. and Ramana, V. Chepuri} } @article {47062, title = {First synthesis of podocarflavone A and its analogs and evaluation of their antimycobacterial potential against mycobacterium tuberculosis with the support of virtual screening}, journal = {Natural Product Research}, volume = {36}, year = {2022}, month = {AUG}, pages = {3879-3886}, type = {Article}, abstract = {

The first synthetic route developed for Podocarflavone A reported from Podocarpus macrophyllus and its analogs in 7 steps. Computational analysis for binding with the pantothenate kinase (3AVO) of Mycobacterium tuberculosis showed their docking score (ds) in the range of -8.9 to -9.3 Kcal/mol. MD simulations delineated the stability of the protein-ligand complexes in the TIP3P model. MMGBSA and MMPBSA values of 8d were -42.46 Kcal/mol and -14.58 Kcal/mol, respectively. Further in-vitro antitubercular screening of compounds 8a, 8d, and 8e against M. tuberculosis H37Ra using XRMA protocol exhibited promising antimycobacterial activity with IC50 values 21.82 mu g/mL, 15.55 mu g/mL, and 16.56 mu g/mL, respectively. Compounds 8a, 8d, and 8e showed antibacterial activity with IC50 values 41.56 mu g/mL, 24.72 mu g/mL, and 72.45 mu g/mL respectively against the Staphylococcus aureus. 8a and 8d showed inhibition with IC50 values 39.6 mu g/mL and 27.64 mu g/mL, respectively, against Bacillus subtilis. The present study could help in the further development of lead molecules against tuberculosis.

}, keywords = {and MMGBSA, antimycobacterial activity, docking, MD simulations, MMPBSA, Podocarflavone A synthesis}, issn = {1478-6419}, doi = {10.1080/14786419.2021.1893317}, author = {Puranik, Ninad V. and Swami, Sagar and Misar, Ashwini V. and Mamgain, Ritu and Gulawani, Swapnaja S. and Dhiman, Sarkar and Srivastava, Pratibha} } @article {48391, title = {First-principles investigation of the electrocatalytic reduction of CO2 on zirconium-based single-, double-, and triple-atom catalysts anchored on a graphitic carbon nitride monolayer}, journal = {ACS Applied Nano Materials}, volume = {5}, year = {2022}, month = {OCT}, pages = {15409-15417}, type = {Article}, abstract = {

Conversion of carbon dioxide (CO2) with the help of an appropriate electrocatalyst with high stability, low onset potential, and exceptional selectivity is still one of the great tasks in the electrocatalytic reduction of CO2 to valuable chemicals. Herein, by means of systematic first-principles simulations, we investigate the CO2 reduction reaction (CO2RR) activity of zirconium-based single-, double-, and triple-atom (Zrn@C2N; n = 1-3) catalysts anchored on a graphitic carbon-nitride monolayer. In tune with the Sabatier principle, our results reveal that a moderate CO2 binding is vital for a low onset potential for the CO2RR. Consequently, based on rigorous free energy calculations, the Zr-based single-atom catalyst (SAC) is found to be most effective to convert CO2 to valuable products such as HCOOH and CH3OH. It is worth noting that CO2 reduction to HCOOH is spontaneous via the *HCOO intermediate on Zr1@C2N and involves a low onset potential of -0.23 V with respect to the reversible hydrogen electrode from the *COOH intermediate. Among all the catalysts evaluated computationally, the Zr SAC further reveals the lowest onset potential of -0.89 V for CH3OH formation. The results show that the Zr-based catalysts especially Zr1@C2N are found to effectively suppress the competitive hydrogen evolution reaction and promote the CO2RR. Moreover, all three catalysts exhibit high kinetic and thermal stability with negligible distortion due to which their structures can be retained very well up to 600 K. Thus, the current work may provide effective catalyst-design strategies for enhancing the electrocatalytic CO2RR performance of Zr-based materials.

}, keywords = {C1 and C2 products, CO2 reduction, first-principles simulations, hydrogen evolution reaction, onset potential, single-atom catalysts (SACs), Zrn@C2N catalysts}, doi = {10.1021/acsanm.2c03464}, author = {Hassan, Afshana and Anis, Insha and Shafi, Sadaf and Assad, Assif and Rasool, Anjumun and Khanam, Romana and Bhat, Gulzar Ahmad and Krishnamurty, Sailaja and Dar, Manzoor Ahmad} } @article {48215, title = {First-row transition metal complexes of a phosphine-silylene- based hybrid ligand}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {AUG}, pages = {13330-13341}, type = {Article}, abstract = {

We have prepared two new silylene-phosphine-based hybrid ligands Si{N(R)C6H4(PPh2)}{PhC((NBu)-Bu-t)(2)} [R = TMS {trimethylsilyl} (1) and TBDMS {tert-butyldimethylsilyl} (2)], which possess two donor sites. Furthermore, the treatment of the bidentate ligand 1 with base metal halides {FeBr2, CoBr2, NiCl(2)middotdme [nickel chloride(II) ethylene glycol dimethyl ether]} and 2 with NiBr(2)middotdme [nickel bromide(II) ethylene glycol dimethyl ether] afforded four-coordinate six-membered metal complexes 3-6, respectively, which feature coordination from both Si(II) and P(III) sites. Subsequently, complexes 3 [(FeBr2)Si{N(SiMe3)C6H4(PPh2)}{PhC((NBu)-Bu-t)(2)}], 4 [(CoBr2)Si{N(SiMe3)C6H4(PPh2)}{PhC((NBu)-Bu-t)(2)}], 5 [(NiCl2)Si{N(SiMe3)C6H4(PPh2)}{PhC((NBu)-Bu-t)(2)}], and 6 [(NiBr2)Si{N((SiBuMe2)-Bu-t)C6H4(PPh2)}{PhC((NBu)-Bu-t)(2)}] are studied for their redox and magnetic properties with the help of UV-vis spectroscopy, cyclic voltammetry, SQUID magnetometry, and theoretical calculations. Complexes 3-6 were found to display a paramagnetic behavior. All the compounds are well established by single-crystal X-ray diffraction studies.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c01233}, author = {Akhtar, Ruksana and Kaulage, Sandeep H. and Sangole, Mayur P. and Tothadi, Srinu and Parvathy, Parameswaran and Parameswaran, Pattiyil and Singh, Kirandeep and Khan, Shabana} } @article {48382, title = {Flexible ultracapacitor device fabricated with an organic electrode material- naphthalene diimide nitrile/reduced graphene oxide}, journal = {Journal of Energy Storage}, volume = {56}, year = {2022}, month = {DEC}, pages = {106036}, type = {Article}, abstract = {

In this work, we have demonstrated a high-performance flexible supercapacitor electrode based on reduced graphene oxide (rGO) and naphthalene diimide nitrile (NDI-CN) composite. The rGO/NDI-CN composite was prepared by a simple approach. This composite was well characterized using various techniques such as scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS) etc. Besides, the pi -pi stacking of NDI-CN on rGO surface was confirmed using UV-vis and FTIR techniques. As fabricated rGO/NDI-CN composite was examined as an electrode material for the supercapacitor applications. The rGO/NDI-CN electrode has delivered an excellent specific capacitance (C-sp) of 336 F g(-1) at 0.5 A g(-1)current density. The fabricated supercapacitor (SC) displays robustness with 80 \% capacitance retention over 10,000 cycles at higher current density of 10 A g(-1). To further explore the real-world application of electrode materials, the corresponding flexible supercapacitor was designed and examined. The flexible device exhibited an energy density of 9.54 mu Wh cm(-2) at a power density of 0.3 mWcm(-2). These results confirmed that the rGO/NDI-CN electrode material has good potential as an energy storage device. Furthermore, the facile construction and fabrication of flexible device displayed operation of LED when fully charged. The assembled flexible supercapacitor device could be bent and twisted, signifying the potential to be used in practical applications in various high-performance electrochemical devices.

}, keywords = {flexible supercapacitor, Naphthalene diimide, Organic molecule electrodes, pi -pi interaction, rGO}, issn = {2352-152X}, doi = {10.1016/j.est.2022.106036}, author = {Deshmukh, Ashvini B. and Biradar, Madan R. and Pawar, Meenakshi D. and Bhosale, Sidhanath V. and Shelke, Manjusha V.} } @article {48185, title = {Fluorobenzoic acid coformers to improve the solubility and permeability of the BCS class IV drug naftopidil}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {MAY }, pages = {5582-5585}, type = {Article}, abstract = {

Crystalline salts of the low solubility and low permeability drug naftopidil were investigated with mono-, di-, tri-, and tetrafluorobenzoic acids as coformers to show that 245TFBA (2,4,5-trifluorobenzoic acid) is the optimal salt with faster dissolution and high permeability, thereby opening the study of fluorinated coformers in pharmaceutical cocrystals and salts.

}, issn = {1359-7345}, doi = {10.1039/d1cc07187d}, author = {Mannava, M. K. Chaitanya and Bommaka, Manish K. and Dandela, Rambabu and Solomon, K. Anand and Nangia, Ashwini K.} } @article {48366, title = {Formation of the secondary phase domain by multi-cation substitution for the superior electrochemical performance of spinel cathodes for high-voltage li-ion batteries}, journal = {ACS Applied Energy Materials}, volume = {5}, year = {2022}, month = {DEC}, pages = {15345-15355}, type = {Article}, abstract = {

{Disorder-structured spinel oxides are opening frontiers for high-capacity/high-voltage cathodes to meet the challenges of independ-ence on cobalt-containing cathodes toward cheap and sustainable energy storage sources in Li-ion batteries (LIBs). In the present work, a series of Co-free materials: LiMn2-x-y-zNixFeyAlzO4 (x = 0.8-0.5

}, keywords = {5Ni0, cation-doped spinel cathode material, cobalt-free cathode, disorder structured spinel cathode material, high-voltage cathode, li-ion batteries, LiMn1}, issn = {2574-0962}, doi = {10.1021/acsaem.2c02667}, author = {Nayaka, Girish Praveen and Shivamurthy, Bogalera Papaiah and Thripuranthaka, Marulasiddappa and Shelke, V. Manjusha.} } @article {48107, title = {Free base phthalocyanine coating as a superior corrosion inhibitor for copper surfaces: a combined experimental and theoretical study}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {648}, year = {2022}, month = {SEP }, pages = {129138}, type = {Article}, abstract = {

In the quest of novel, eco-benign copper corrosion inhibitors, free base and a set of six metal Phthalocyanine (Pc) coatings (where metal is Zn, Cu, Fe, Co, Ni, Mn) are systematically evaluated for their corrosion inhibition efficiency. The study demonstrates that the free base Phthalocyanine coatings are superior corrosion inhibitors for Cu surface in HCl with a corrosion inhibition efficiency of 88\% as compared to its metal counterparts. A detailed and indepth study involving concerted electrochemical polarisation, impedance measurements at various concentrations of HCl assert the superior corrosion inhibition efficiency of free base Pc coatings as compared to its metal counterparts. Underlying factors/interface chemistry contributing to it is brought out using first principle based studies. First principles based computational studies establish that superior corrosion inhibition ability of free base phthalocyanine molecule is attributed to its innate binding ability with copper surface and its better inter-molecular packing. Thus, the theoretical adsorption trends of various studied phthalocyanine molecules while clearly following the experimental corrosion inhibition efficiency trends undermine the importance of contribution of chelating factors for the formation of a stable and efficient corrosion inhibition coating on a surface and that the adhesion/adsorption strength of a molecule correlates directly to its corrosion inhibition efficiency. The experimental observations are further substantiated through FE-SEM, EDAX and XPS studies. The corrosion inhibition efficiency of free base phthalocyanine is followed by its zinc based counterpart at 85\%.

}, keywords = {Copper surface, Corrosion inhibitors, DFT studies, Impedance, Phthalocyanine coatings}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2022.129138}, author = {Samal, Pragnya Paramita and Dekshinamoorthy, Amuthan and Arunachalam, Shivakami and Vijayaraghavan, Saranyan and Krishnamurty, Sailaja} } @article {48129, title = {From {\textquoteleft}{\textquoteleft}Cosmic Cooking{\textquoteright}{\textquoteright} to chemistry of the future: a collective dialogue on chemistry as a tribute to Prof. Sourav Pal.}, journal = {Frontiers in Chemistry}, volume = {10}, year = {2022}, month = {APR}, pages = {908165}, type = {Editorial Material}, keywords = {cosmic cooking, coupled cluster and density functional calculations, dialogue on chemistry, pincers porphyrinoids and oxometalates, small molecule activation, Theoretical chemistry}, issn = {2296-2646}, doi = {10.3389/fchem.2022.908165}, author = {Roy, Soumyajit and Krishnamurty, Sailaja and Schoefberger, Wolfgang} } @article {48363, title = {Graphical Biology Insights into the dynamic interactions at chemokine-receptor interfaces and mechanistic models of chemokine binding}, journal = {Journal of Structural Biology}, volume = {214}, year = {2022}, month = {SEP}, pages = {107877}, type = {Article}, abstract = {

Chemokine receptors are the central signaling hubs of several processes such as cell migration, chemotaxis and cell positioning. In this graphical review, we provide an overview of the structural and mechanistic principles governing chemokine recognition that are currently emerging. Structural models of chemokine-receptor cocomplexes with endogenous chemokines, viral chemokines and therapeutics have been resolved that highlight multiple interaction sites, termed as CRS1, CRS1.5 etc. The first site of interaction has been shown to be the Nterminal domain of the receptors (CRS1 site). A large structural flexibility of the N-terminal domain has been reported that was supported by both experimental and simulation studies. Upon chemokine binding, the Nterminal domain appears to show constricted dynamics and opens up to interact with the chemokine via a large interface. The subsequent sites such as CRS1.5 and CRS2 sites have been structurally well resolved although differences arise such as the localization of the N-terminus of the ligand to a major or minor pocket of the orthosteric binding site. Several computational studies have highlighted the dynamic protein-protein interface at the CRS1 site that seemingly appears to resolve the differences in NMR and mutagenesis studies. Interestingly, the differential dynamics at the CRS1 site suggests a mixed model of binding with complex signatures of both conformational selection and induced fit models. Integrative experimental and computational approaches could help unravel the structural basis of promiscuity and specificity in chemokine-receptor binding and open up new avenues of therapeutic design.

}, keywords = {Chemokine receptors, GPCRs, Intrinsically disordered protein domains, protein-protein interactions}, issn = {1047-8477}, doi = {10.1016/j.jsb.2022.107877}, author = {Sonawani, Archana and Kharche, Shalmali and Dasgupta, Debjani and Sengupta, Durba} } @article {48198, title = {High-alkaline water-splitting activity of mesoporous 3D heterostructures: an amorphous-shell@crystalline-core nano-assembly of Co-Ni-phosphate ultrathin-nanosheets and V- doped cobalt-nitride nanowires}, journal = {Advanced Science}, volume = {9}, year = {2022}, month = {AUG}, pages = {2201311}, type = {Article}, abstract = {

Introducing amorphous and ultrathin nanosheets of transition bimetal phosphate arrays that are highly active in the oxygen evolution reaction (OER) as shells over an electronically modulated crystalline core with low hydrogen absorption energy for an excellent hydrogen evolution reaction (HER) can boost the sluggish kinetics of the OER and HER in alkaline electrolytes. Therefore, in this study, ultrathin and amorphous cobalt-nickel-phosphate (CoNiPOx) nanosheet arrays are deposited over vanadium (V)-doped cobalt-nitride (V-3\%-Co4N) crystalline core nanowires to obtain amorphous-shell@crystalline-core mesoporous 3D-heterostructures (CoNiPOx@V-Co4N/NF) as bifunctional electrocatalysts. The optimized electrocatalyst shows extremely low HER and OER overpotentials of 53 and 270 mV at 10 mA cm(-2), respectively. The CoNiPOx@V-3\%-Co4N/NF (+/-) electrolyzer utilizing the electrocatalyst as both anode and cathode demonstrates remarkable overall water-splitting activity, requiring a cell potential of only 1.52 V at 10 mA cm(-2), 30 mV lower than that of the RuO2/NF (+)/20\%-Pt/C/NF (-) electrolyzer. Such impressive bifunctional activities can be attributed to abundant active sites, adjusted electronic structure, lower charge-transfer resistance, enhanced electrochemically active surface area (ECSA), and surface- and volume-confined electrocatalysis resulting from the synergistic effects of the crystalline V-3\%-Co4N core and amorphous CoNiPOx shells boosting water splitting in alkaline media.

}, keywords = {core-shell, hydrogen productions, metal nitrides, metal phosphates, synergistic effect, water-splitting}, doi = {10.1002/advs.202201311}, author = {Singh, Thangjam Ibomcha and Maibam, Ashakiran and Cha, Dun Chan and Yoo, Sunghoon and BabaRao, Ravichandar and Lee, Sang Uck and Lee, Seunghyun} } @article {48120, title = {Highly efficient and reusable polymer supported palladium catalyst for copper free sonogashira reaction in water}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {APR}, pages = {e202104273}, type = {Article}, abstract = {

Development of a novel, greener and efficient heterogeneous catalytic system for copper free Sonogashira reaction in water is described. This novel catalyst can be easily prepared by a simple method through synthetic modification of nitrile group in Polyacrylonitrile (PAN) using monoethanolamine (MEA) followed by its complexation with palladium chloride (PdCl2). The resulting polymer Pd complex (mPAN-Pd) was characterized by means of Fourier Transform Infrared Spectroscopy (FTIR), Energy-Dispersive X-ray Spectroscopy (EDAX), Inductively Coupled Mass Spectrometry (ICP-MS) and X-ray Photo Electron Spectroscopy (XPS) analyses. mPAN-Pd was then explored as highly efficient heterogeneous catalyst for Sonogashira coupling reaction under copper and ligand free conditions in water affording the corresponding coupling products up to 97 \% isolated yield. Moreover, the catalyst was recovered by simple filtration after the reaction and reused for next 5 cycles with excellent stability and activity. This is the first report on the use of ethanolamine modified PAN Pd (II) complex as an efficient heterogeneous catalyst for a coupling reaction.

}, keywords = {catalysis, green chemistry, Palladium, Polymer Support, Sonogashira coupling}, issn = {2365-6549}, doi = {10.1002/slct.202104273}, author = {Sruthi, Pambingal Rajan and Nimmi, Puthan Purayil and Babu, Sukumaran Santhosh and Anas, Saithalavi} } @article {48031, title = {Highly efficient chemoselective hydrogenation of 5-HMF to BHMF over reusable bimetallic Pd-Ir/C catalyst}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {JUN}, pages = {e202200456}, type = {Article}, abstract = {

Catalytic synergism was observed for a bimetallic Pd-Ir catalyst supported on activated carbon for chemoselective hydrogenation of 5-hydroxymetahyl furfural (5-HMF) to 2, 5-(bishydroxymethyl) furan (BHMF) with complete conversion and 97 \% selectivity under very mild reaction conditions. The structural characterization like XRD, N-2 sorption, FE-SEM and TEM suggested formation of fine nanoparticles (1.95-3.08 nm) having very higher surface area, uniform distribution and mesoporous nature of the material. XPS spectra and Pyridine-IR spectroscopy revealed formation of Pd-PdO and Ir/IrO2/IrO3 interface on the catalytic surface along with strong Bronsted acidic sites which were responsible for high efficiency of catalyst at 80 degrees C, 100 psig H-2 pressure at 5-HMF/Catalyst=20 and within 2.5 h of reaction time. A plausible reaction mechanism is also elucidated based on structure activity correlation.

}, keywords = {5-HMF, Carbon, Catalytic synergism, Selective hydrogenation, Valorization}, issn = {2365-6549}, doi = {10.1002/slct.202200456}, author = {Ratrey, Geetanjali and Solanki, Bhanupratap S. and Kamble, Sanjay P. and Rode, V. Chandrashekhar} } @article {48184, title = {Hydrodechlorination of 4-chloro-2-aminophenol into a recyclable product using Ni- and Cu-based catalysts}, journal = {Industrial \& Engineering Chemistry Research}, volume = {61}, year = {2022}, month = {OCT}, pages = {14433-14445}, type = {Article}, abstract = {

The 4-chloro-2-amino phenol (4C2AP) bearing wastewater is produced while manufacturing dyes and pharma-ceutical ingredients. Ni-and Cu-based cost-effective catalysts were developed, typically characterized, and subjected to hydrodechlori-nation (HDC) of 4C2AP. The role of reducing agents, concentration, pH of wastewater, presence of salt, reaction temperature, catalyst reuse, and the kinetics was investigated. A selective makeover of 2-amino phenol (2AP) was analyzed by HPLC, LCMS, and NMR. A complete HDC of 4C2AP with remarkable selectivity (98\%) toward 2AP was achieved using a Ni0 catalyst and NaBH4 at room temperature. It is observed that the alkaline condition, the presence of salt, and a high reaction temperature favor the HDC process. A maximum of 1 g L-1 of the Ni0 loading is found to be sufficient to dechlorinate the pollutant. It can be concluded that the catalytic HDC is a technically viable and inexpensive process for the conversion of 4C2AP into a valuable product, 2AP.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.2c00848}, author = {Shetty, Rohit R. and Raut, Sandesh S. and Kulkarni, Prashant S. and Kamble, Sanjay P.} } @article {47901, title = {Hypersilyl substituent in heavier low-valent group 14 chemistry}, journal = {European Journal of Inorganic Chemistry}, volume = {2022}, year = {2022}, month = {APR }, pages = {e202200071}, type = {Review}, abstract = {

The isolation of unusual compounds with low-valent main-group elements would not have been possible without the development of a series of sterically demanding ligands with bulky substituents. While early literature recognizes the advent of the sterically demanding tris(trimethylsilyl)silyl (SiMe3)(3)Si- group, also known as hypersilyl group, to stabilize species with new coordination modes for the main group elements, it has largely been more recent studies that have utilized this group for isolating stable compounds with low-valent main-group elements. Such compounds are not only interesting from the structure-bonding point of view but showcase potential for small molecule activation under ambient conditions. This review will cover the recent developments in stabilizing unusual compounds with group 14 elements using the exceptionally strong sigma-donor properties and pronounced steric effects of the hypersilyl moiety, emphasizing their synthesis, structure, and reactivity.

}, keywords = {Germylenes, Hydroboration, Hypersilyl, silylenes, Stannylenes}, issn = {1434-1948}, doi = {10.1002/ejic.202200071}, author = {Gour, Kritika and Bisai, Milan Kumar and Sen, Sakya S.} } @article {48340, title = {Hyperthermia and doxorubicin release by Fol-LSMO nanoparticles induce apoptosis and autophagy in breast cancer cells}, journal = {Nanomedicine}, volume = {17}, year = {2022}, month = {OCT}, pages = {1929-1949}, type = {Article}, abstract = {

Background: Studies on the anticancer effects of lanthanum strontium manganese oxide (LSMO) nanoparticles (NPs)-mediated hyperthermia at cellular and molecular levels are scarce. Materials \& methods: LSMO NPs conjugated with folic acid (Fol-LSMO NPs) were synthesized, followed by doxorubicin-loading (DoxFol-LSMO NPs), and their effects on breast cancer cells were investigated. Results: Hyperthermia (45 degrees C) and combination treatments exhibited the highest (similar to 95\%) anticancer activity with increased oxidative stress. The involvement of intrinsic mitochondria-mediated apoptotic pathway and induction of autophagy was noted. Cellular and molecular evidence confirmed the crosstalk between apoptosis and autophagy, involving Beclin1, Bcl2 and Caspase-3 genes with free reactive oxygen species presence. Conclusion: The study confirmed hyperthermia and doxorubicin release by Fol-LSMO NPs induces apoptosis and autophagy in breast cancer cells.

}, keywords = {Apoptosis, Autophagy, Breast cancer, combination therapy, doxorubicin, Folic acid, hyperthermia, LSMO, MDA-MB231 cells, PEG}, issn = {1743-5889}, doi = {10.2217/nnm-2022-0171}, author = {Kulkarni-Dwivedi, Neha and Patel, Pratikshkumar R. and Shravage, V. Bhupendra and Umrani, Rinku D. and Paknikar, Kishore M. and Jadhav, Sachin H.} } @article {48044, title = {Hypervalent-iodine-mediated oxidation followed by the acetoxylation/tosylation of alpha-substituted benzylamines to obtain alpha-acyloxy/tosyloxy ketones}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {SEP}, pages = {16832-16839}, type = {Article}, abstract = {

An efficient and metal-free method has been developed for the sequential oxidation of alpha-alkylbenzylamines followed by acetoxylation or tosylation for the synthesis of alpha-acyloxy/tosyloxy ketones using hypervalent iodine(iii). The employment of a simple starting material, broad substrate scope and operational simplicity are the key features of this protocol.

}, issn = {1144-0546}, doi = {10.1039/d2nj02271k}, author = {Rupanawar, Bapurao D. and Mane, Kishor D. and Suryavanshi, Gurunath} } @article {48397, title = {Identification and characterization of the key enzyme in the biosynthesis of the neurotoxin beta-ODAP in grass pea}, journal = {Journal of Biological Chemistry}, volume = {298}, year = {2022}, month = {MAY}, pages = {101806}, type = {Article}, abstract = {

Grass pea (Lathyrus sativus L.) is a grain legume commonly grown in Asia and Africa for food and forage. It is a highly nutritious and robust crop, capable of surviving both droughts and floods. However, it produces a neurotoxic compound, beta-N- oxalyl-L-alpha,beta-diaminopropionic acid (beta-ODAP), which can cause a severe neurological disorder when consumed as a primary diet component. While the catalytic activity associated with beta-ODAP formation was demonstrated more than 50 years ago, the enzyme responsible for this activity has not been identified. Here, we report on the identity, activity, 3D structure, and phylogenesis of this enzyme-beta-ODAP synthase (BOS). We show that BOS belongs to the benzylalcohol O-acetyltransfer-ase, anthocyanin O-hydroxycinnamoyltransferase, anthranilate N-hydroxycinnamoyl/benzoyltransferase, deacetylvindoline 4-O-acetyltransferase superfamily of acyltransferases and is structurally similar to hydroxycinnamoyl transferase. Using molecular docking, we propose a mechanism for its catalytic activity, and using heterologous expression in tobacco leaves (Nicotiana benthamiana), we demonstrate that expression of BOS in the presence of its substrates is sufficient for beta-ODAP production in vivo. The identification of BOS may pave the way toward engineering beta-ODAP-free grass pea cultivars, which are safe for human and animal consumption.

}, doi = {10.1016/j.jbc.2022.101806}, author = {Goldsmith, Moshe and Barad, Shiri and Knafo, Maor and Savidor, Alon and Ben-Dor, Shifra and Brandis, Alexander and Mehlman, Tevie and Peleg, Yoav and Albeck, Shira and Dym, Orly and Ben-Zeev, Efrat and Barbole, Ranjit S. and Aharoni, Asaph and Reich, Ziv} } @article {48155, title = {Identifying structural signature of dynamical heterogeneity via the local softness parameter}, journal = {Physical Review E}, volume = {105}, year = {2022}, month = {APR}, pages = {044604}, type = {Article}, abstract = {

In this work we study the relationship between the softness of a mean-field caging potential and dynamics at the local level. We first describe the local softness, which shows a distribution, thus identifying structural heterogeneity. We show that the lifetime of the softness parameter is connected to the lifetime of the well-known cage structure in supercooled liquids. Finally, our theory predicts that the local softness and the local dynamics is causal below the onset temperature where there is a decoupling between the short and long time dynamics, thus allowing a static description of the cage. With the decrease in temperature, the correlation between structure and dynamics increases. The study shows that at lower temperatures, the structural heterogeneity increases, and since the structure becomes a better predictor of the dynamics, it leads to an increase in the dynamical heterogeneity. We also find that the softness of a hard, immobile region evolves with time and becomes soft and eventually mobile due to the rearrangements in the neighborhood, confirming the well-known facilitation effect.

}, issn = {2470-0045}, doi = {10.1103/PhysRevE.105.044604}, author = {Sharma, Mohit and Nandi, Manoj Kumar and Bhattacharyya, Sarika Maitra} } @article {48406, title = {Improved mucoadhesion, permeation and in vitro anticancer potential of synthesized thiolated acacia and karaya gum combination: a systematic study}, journal = {Molecules}, volume = {27}, year = {2022}, month = {OCT}, pages = {6829}, type = {Article}, abstract = {

Thiolation of polymers is one of the most appropriate approaches to impart higher mechanical strength and mucoadhesion. Thiol modification of gum karaya and gum acacia was carried out by esterification with 80\% thioglycolic acid. FTIR, DSC and XRD confirmed the completion of thiolation reaction. Anticancer potential of developed thiomer was studied on cervical cancer cell lines (HeLa) and more than 60\% of human cervical cell lines (HeLa) were inhibited at concentration of 5 mu g/100 mu L. Immobilized thiol groups were found to be 0.8511 mmol/g as determined by Ellman{\textquoteright}s method. Cytotoxicity studies on L929 fibroblast cell lines indicated thiomers were biocompatible. Bilayered tablets were prepared using Ivabradine hydrochloride as the model drug and synthesized thiolated gums as mucoadhesive polymer. Tablets prepared using thiolated polymers in combination showed more swelling, mucoadhesion and residence time as compared to unmodified gums. Thiol modification controlled the release of the drug for 24 h and enhanced permeation of the drug up to 3 fold through porcine buccal mucosa as compared to tablets with unmodified gums. Thiolated polymer showed increased mucoadhesion and permeation, anticancer potential, controlled release and thus can be utilized as a novel excipient in formulation development.

}, keywords = {buccal tablets, enhanced permeation, ivabradine HCl, mucoadhesion, thiolated gums}, doi = {10.3390/molecules27206829}, author = {Munot, Neha and Kandekar, Ujjwala and Rikame, Chaitali and Patil, Abhinandan and Sengupta, Poulomi and Urooj, Shabana and Bilal, Anusha} } @article {48210, title = {Improvement in oxygen evolution performance of NiFe layered double hydroxide grown in the presence of 1T-Rich MoS2}, journal = {ACS Applied Materials \& Interfaces}, volume = {14}, year = {2022}, month = {JUL}, pages = {31951-31961}, type = {Article}, abstract = {

NiFe layered double hydroxide (NiFe LDH) grown in the presence of MoS2 (rich in 1T phase) shows exceptional performance metrics for alkaline oxygen evolution reaction (OER) in this class of composites. The as-prepared NiFe LDH/MoS2 composite (abbreviated as MNF) exhibits a low overpotential (eta(10)) of 190 mV; a low Tafel slope of 31 mV dec(-1); and more importantly, a high stability in its performance manifested by the delivery of current output for 45 h. It is important to note that this could be achieved with an exceedingly low loading of 0.14 mg cm(-2). The mass activity of this composite (97 A g(-1)) is about 14 times greater than that of the conventional RuO2 (7 A g(-1) ) at eta = 200 mV. When normalized with respect to the total metal content, a mass activity of 1000 A g(-1) (eta = 300 mV) was achieved. Impedance analysis further reveals that the significant reduction in charge-transfer resistance and hence high current density (5 times greater as compared to NiFe LDH at eta = 300 mV) observed for MNF is associated with interfacial adsorption kinetics of intermediates (R-1). Significant enhancement in the intrinsic activity of MNF over LDH has been observed through normalization of current with the electrochemically active surface area. Computational studies suggest that the Ni centers in the composite act as the active sites for OER, which is well-corroborated with the observed postreaction appearance of Ni3+ species.

}, keywords = {Impedance, LDH-MoS2 hybrid electrocatalyst, mass activity, OER, overpotential}, issn = {1944-8244}, doi = {10.1021/acsami.2c06210}, author = {Chakraborty, Soumita and Marappa, Shivanna and Agarwal, Sakshi and Bagchi, Debabrata and Rao, Ankit and Vinod, Chathakudath P. and Peter, Sebastian C. and Singh, Abhishek and Eswaramoorthy, Muthusamy} } @article {48132, title = {Incorporating conducting polypyrrole into a polyimide COF for carbon-free ultra-high energy supercapacitor}, journal = {Advanced Energy Materials}, volume = {12}, year = {2022}, month = {SEP}, pages = {2200754}, type = {Article}, abstract = {

Redox-active covalent organic frameworks (COFs) store charges but possess inadequate electronic conductivity. Their capacitive action works by storing H+ ions in an acidic electrolyte and is typically confined to a small voltage window (0-1 V). Increasing this window means higher energy and power density, but this risks COF stability. Advantageously, COF{\textquoteright}s large pores allow the storage of polarizable bulky ions under a wider voltage thus reaching higher energy density. Here, a COF-electrode-electrolyte system operating at a high voltage regime without any conducting carbon or redox active oxides is presented. Conducting polypyrrole (Ppy) chains are synthesized within a polyimide COF to gain electronic conductivity (approximate to 10 000-fold). A carbon-free quasi-solid-state capacitor assembled using this composite showcases high pseudo-capacitance (358 mF cm(-2)@1 mA cm(-2)) in an aqueous gel electrolyte. The synergy among the redox-active polyimide COF, polypyrrole and organic electrolytes allows a wide-voltage window (0-2.5 V) leading to high energy (145 mu Wh cm(-2)) and power densities (4509 mu W cm(-2)). Amalgamating the polyimide-COF and the polypyrrole as one material minimizes the charge and mass transport resistances. Computation and experiments reveal that even a partial translation of the modules/monomers intrinsic electronics to the COF imparts excellent electrochemical activity. The findings unveil COF-confined polymers as carbon-free energy storage materials.

}, keywords = {carbon free capacitors, cation-anion co-storage, conductivity, high energy capacitors, polypyrrole doped COFs}, issn = {1614-6832}, doi = {10.1002/aenm.202200754}, author = {Haldar, Sattwick and Rase, Deepak and Shekhar, Pragalbh and Jain, Chitvan and Vinod, Chathakudath Prabhakaran and Zhang, En and Shupletsov, Leonid and Kaskel, Stefan and Vaidhyanathan, Ramanathan} } @article {48019, title = {Indoline-based donor-pi-acceptor visible-light responsive organic dyes for dye-sensitized solar cells: co-sensitization with squaraine dye for panchromatic IPCE response}, journal = {ACS Applied Energy Materials}, volume = {5}, year = {2022}, month = {FEB}, pages = {1858-1868}, type = {Article}, abstract = {

A series of metal-free indoline-based donor-pi-acceptor (D-pi-A) visible-light active organic dyes, where an indoline unit wrapped with alkyl or alkyl and glycolic (TEG) groups is used as a donor, a mono- or bi-thiophene unit is used as a pi-spacer, and cyanoacrylic acid acts as an acceptor unit, have been designed and synthesized for dye-sensitized solar cell (DSSC) application. These dyes showed three absorption bands in a dichloromethane solution: the first and second transitions are observed in the UV (337-385 nm) and visible (477-514 nm) regions and correspond to pi-pi* and intramolecular charge transfer (ICT) transition, respectively, whereas the third absorption band obtained in the near-IR (629-758 nm) region has been observed for the first time for a D-pi-A type dye architecture. Furthermore, the ICT transition band for AKT dyes showed negative solvatochromism with increasing polarity of solvents. Photovoltaic characterizations for AKT dyes have been systematically studied with a cobalt electrolyte to evaluate the effect of thiophene incorporation and alkyl group substitution by the TEG group on the DSSC device performance. Here, AKT2 showed the highest DSSC efficiency of 3.16\% with V-OC of 0.680 V and J(SC) of 6.24 mA/cm(2) without chenodeoxycholic acid (CDCA) in the AKT dye series, whereas DSSC efficiencies for AKT dyes were not affected much upon further addition of CDCA. Furthermore, AKT dyes were co-sensitized with a complementary optical responsive indoline-based SQS4 dye and showed enhanced efficiency. The combination of AKT2/SQS4 dyes with a ratio of 1:1 showed a maximum of 5.20\% co-sensitized solar cell efficiency compared to other dye combinations with the cobalt electrolyte.

}, keywords = {Dye-sensitized solar cells, indoline-based donor-pi-acceptor dye, intramolecular charge transfer, metal-free organic dye, panchromatic-light absorption, Solvatochromism}, issn = {2574-0962}, doi = {10.1021/acsaem.1c03343}, author = {Singh, Ambarish Kumar and Nithyanandhan, Jayaraj} } @article {48187, title = {Insights into active tungsten species on Pt/W/SBA-15 catalysts for selective hydrodeoxygenation of glycerol to 1,3-propanediol}, journal = {Molecular Catalysis}, volume = {531}, year = {2022}, month = {OCT}, pages = {112704}, type = {Article}, abstract = {

Diols are important class of industrial chemicals. Their synthesis from bio-resources (instead from fossil feed-stocks) is sustainable. In this study, we probed active tungsten species on Pt/W/SBA-15 catalysts for selective synthesis of 1,3-propanediol (1,3-PDO) from aqueous glycerol through a liquid-phase hydrodeoxygenation re-action. A synergistic enhancement in glycerol conversion and 1,3-PDO selectivity was observed when both Pt and W were present on the catalyst. A volcano-shape variation followed with a gradual increase in glycerol conversion and 1,3-PDO yield with W-loading (0.25-15 wt\%) was observed. Pt dispersion and acidity of the catalyst dis-played similar variations with the W-loading confirming their critical role in the reaction. Structure-function relationships inferred that oligomeric WOx with moderate Bro center dot nsted acidity (predominant at 1 wt\% W-loading) in contact with dispersed Pt are the active species for 1,3-PDO formation and crystalline WO3 with strong Bro center dot nsted acidity (prevalent above 4 wt\% W-loading) in association with Pt nanoparticles lead to 1-propanol formation.

}, keywords = {3-Propanediol, Active sites, Glycerol, Hydrodeoxygenation, Hydrogenolysis, Supported Pt-WO x}, issn = {2468-8231}, doi = {10.1016/j.mcat.2022.112704}, author = {Bhowmik, Susmita and Enjamuri, Nagasuresh and Sethia, Govind and Akula, Venugopal and Marimuthu, Banu and Darbha, Srinivas} } @article {48087, title = {Instabilities as the origin of large-area self-assembled and aligned organic semiconductor nanocrystals}, journal = {ACS Applied Electronic Materials}, volume = {4}, year = {2022}, month = {APR}, pages = {1815-1822}, type = {Article}, abstract = {

Aligned nanocrystals of organic semiconductors (OSCs) are highly desirable for electronic devices and biomedical and photonic applications. Solution-based wet processing routes have the potential to produce aligned nanocrystals over large areas in small time frames. Herein, we demonstrate that by optimizing the hydrodynamic evaporative processes, controlled long-range crystalline assemblies of OSCs can be achieved (longest nanocrystal similar to 3 mm) purely through physical processes: namely, from fingering instabilities. Self-assembly is achieved here without strong noncovalent interactions such as hydrogen-bonding interactions. Experimentally our approach involves just placing a drop of a solution on an inclined substrate. Nanocrystals with widths of 300-800 nm and lengths of millimeters (length/width aspect ratios \>10(5)) are formed in less than 2-8 s. A hydrazine chemiresistive sensor based on the aligned crystalline patterns show unprecedented responsivity (similar to 10(-6)), 2 orders greater than those of stick-slip patterns. Finally, experimental parameters that need optimization to achieve nanocrystal patterns are investigated in detail and pointers to fabricate such OSC nanocrystals are provided.

}, keywords = {aligned fibers, diketopyrrolopyrrole, fingering instability, nanocrystal arrays, naphthalenediimide, organic semiconductors}, doi = {10.1021/acsaelm.2c00061}, author = {Venugopalan, Vijay and Jain, Bhanprakash and Mahale, Rajashree Y. and Subramani, Kumar and Krishnamoorthy, Kothandam} } @article {48128, title = {Interplay of anion-pi(+) and pi(+)-pi(+) interactions in novel pyrido[2,1-a]isoquinolinium-based aiegens - substituent- and counterion-dependent fluorescence modulation and applications in live cell mitochondrial imaging}, journal = {Chemistry-A European Journal}, volume = {28}, year = {2022}, month = {JUL }, pages = {e202200632}, type = {Article}, abstract = {

Recently, the concept of anion-pi(+) interactions has witnessed unique applications in the field of AIEgen development. In this contribution, we disclose a consolidated study of a library of N-doped ionic AIEgens accessed through silver-mediated cyclization of pyridino-alkynes. A thorough photophysical, computational and crystallographic study has been conducted to rationalize the observed substituent- and counterion-dependent fluorescence properties of these luminogens. We further elucidate the prominent role of anion-pi(+) interactions, pi(+)-pi(+) interactions and other non-covalent interactions, in inhibiting the undesired ACQ effect. Finally, we have also demonstrated the application of selected AIEgens for imaging of mitochondria in live cells.

}, keywords = {1-a]isoquinolinium, AIEgens, anion-pi(+), crystal structure, mitochondrial imaging, pyrido[2}, issn = {0947-6539}, doi = {10.1002/chem.202200632}, author = {Mule, Ravindra D. and Roy, Rupam and Mandal, Koushik and Chopra, Deepak and Dutta, Tanoy and Sancheti, Shashank P. and Shinde, Popat S. and Banerjee, Somsuvra and Lal Koner, Apurba and Bhowal, Rohit and Senthilkumar, Beeran and Patil, Nitin T.} } @article {48082, title = {Investigation of the captopril-insulin interaction by mass spectrometry and computational approaches reveals that captopril induces structural changes in insulin}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {JUL}, pages = {23115-23126}, type = {Article}, abstract = {

ABSTRACT: Post-translational modifications remarkably regulate proteins{\textquoteright} biological function. Small molecules such as reactive thiols, metabolites, and drugs may covalently modify the proteins and cause structural changes. This study reports the covalent modification and noncovalent interaction of insulin and captopril, an FDA-approved antihypertensive drug, through mass spectrometric and computation-based approaches. Mass spectrometric analysis shows that captopril modifies intact insulin, reduces it into its {\textquoteleft}{\textquoteleft}A{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}B{\textquoteright}{\textquoteright} chains, and covalently modifies them by forming adducts. Since captopril has a reactive thiol group, it might reduce the insulin dimer or modify it by reacting with cysteine residues. This was proven with dithiothreitol treatment, which reduced the abundance of captopril adducts of insulin A and B chains and intact Insulin. Liquid chromatography tandem mass spectrometric analysis identified the modification of a total of four cysteine residues, two in each of the A and B chains of insulin. These modifications were identified to be Cys6 and Cys7 of the A chain and Cys7 and Cys19 of the B chain. Mass spectrometric analysis indicated that captopril may simultaneously modify the cysteine residues of intact insulin or its subunits A and B chains. Biophysical studies involving light scattering and thioflavin T assay suggested that the binding of captopril to the protein leads to the formation of aggregates. Docking and molecular dynamics studies provided insights into the noncovalent interactions and associated structural changes in insulin. This work is a maiden attempt to understand the detailed molecular interactions between captopril and insulin. These findings suggest that further investigations are required to understand the long-term effect of drugs like captopril.

}, issn = {2470-1343}, doi = {10.1021/acsomega.2c00660}, author = {Ghosh, Amrita and Pawar, Aiswarya B. and Chirmade, Tejas and Jathar, Swaraj M. and Bhambure, Rahul and Sengupta, Durba and Giri, Ashok P. and Kulkarni, Mahesh J.} } @article {48148, title = {Isoeugenol affects expression pattern of conidial hydrophobin gene RodA and transcriptional regulators MedA and SomA responsible for adherence and biofilm formation in Aspergillus fumigatus}, journal = {Archives of Microbiology}, volume = {204}, year = {2022}, month = {APR}, pages = {214}, type = {Article}, abstract = {

Aspergillus fumigatus is one of the major pathogenic fungal species, causing life-threatening infections. Due to a limited spectrum of available antifungals, exploration of new drug targets as well as potential antifungal molecules has become pertinent. Rodlet layer plays an important role in adherence of fungal conidia to hydrophobic cell surfaces in host, which also leads to A. fumigatus biofilm formation, contributing factor to fungal pathogenicity. From decades, natural sources have been known for the development of new active molecules. The present study investigates effect of isoeugenol on genes responsible for hydrophobins (RodA), adhesion as well as biofilm formation (MedA and SomA) of A. fumigatus. Minimum inhibitory concentrations (MIC and IC50) of isoeugenol against A. fumigatus were determined using broth microdilution assay. The IC50 results showed reduced hydrophobicity and biofilm formation as well as eradication after treatment with the compound and electron micrograph data corroborated these findings. The qRT-PCR showed a significant downregulation of genes RodA, MedA, SomA and pksP involved in hydrophobicity and biofilm formation. SwissADME studies potentiated drug-like propensity for isoeugenol which formed four hydrogen bonds with low binding energy (- 4.54 kcal/mol) at the catalytic site of RodA protein studied via AutoDock4. Hence, the findings conclude that isoeugenol inhibits conidial hydrophobicity and biofilm formation of A. fumigatus and further investigations are warranted in this direction.

}, keywords = {Aspergillus fumigatus, Hydrophobicity, Isoeugenol, Transcription regulators, Virulence}, issn = {0302-8933}, doi = {10.1007/s00203-022-02817-w}, author = {Gupta, Lovely and Sen, Pooja and Bhattacharya, Asish K. and Vijayaraghavan, Pooja} } @article {48159, title = {Isolation and structural characterization of exopolysaccharide from marine Bacillus sp. and its optimization by Microbioreactor}, journal = {Carbohydrate Polymers}, volume = {285}, year = {2022}, month = {JUN }, pages = {119241}, type = {Article}, abstract = {

In the present study, a cost-effective, robust Microbioreactor based production optimization of levan like exopolysaccharide from marine Bacillus sp. SGD-03 was analysed. FE-SEM analysis has showed the significant fibrillar structure of EPS. Size exclusion chromatography and other analytical data revealed that, produced EPS has a molecular weight of 1.0 x 10(4) Da and is composed of fructose monosaccharide with hydroxyl, carbonyl, and ether groups. The backbone structure of EPS has a branching pattern of beta-(2,6) linkages which confirms the similarity with available levan like polymers. The cost-effective media composition for levan production was demonstrated. The maximum yield of crude levan obtained was 123.9 g/L by response surface methodology using robust BioLector Pro Microbioreactor, and same has been validated with shake flask, 1 L and 10 L pilot-scale fermentation.

}, keywords = {EPS, marine, Microbioreactor, Optimization, structure}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2022.119241}, author = {Wagh, Vasudev S. and Said, Madhukar S. and Bennale, Jagadish S. and Dastager, Syed G.} } @article {48111, title = {Janus cross-links in supramolecular networks}, journal = {Journal of the American Chemical Society}, volume = {144}, year = {2022}, month = {JAN}, pages = {845-853}, type = {Article}, abstract = {

Thermosets composed of cross-linked polymers demonstrate enhanced thermal, solvent, chemical, and dimensional stability as compared to their non-cross-linked counterparts. However, these often-desirable material properties typically come at the expense of reprocessability, recyclability, and healability. One solution to this challenge comes from the construction of polymers that are reversibly cross-linked. We relied on lessons from Nature to present supramolecular polymer networks comprised of cooperative Janus-faced hydrogen bonded cross-links. A triazine-based guanine-cytosine base (GCB) with two complementary faces capable of self-assembly through three hydrogen bonding sites was incorporated into poly(butyl acrylate) to create a reprocessable and recyclable network. Rheological experiments and dynamic mechanical analysis (DMA) were employed to investigate the flow behavior of copolymers with randomly distributed GCB units of varying incorporation. Our studies revealed that the cooperativity of multiple hydrogen bonding faces yields excellent network integrity evidenced by a rubbery plateau that spanned the widest temperature range yet reported for any supramolecular network. To verify that each Janus-faced motif engages in multiple cross-links, we studied the effects of local concentration of the incorporated GCB units within the polymer chain. Mechanical strength improved by colocalizing the GCB within a block copolymer morphology. This enhanced performance revealed that the number of effective cross-links in the network increased with the local concentration of hydrogen bonding units. Overall, this study demonstrates that cooperative noncovalent interactions introduced through Janus-faced hydrogen bonding moieties confers excellent network stability and predictable viscoelastic flow behavior in supramolecular networks.

}, issn = {0002-7863}, doi = {10.1021/jacs.1c10606}, author = {Mondal, Swagata and Lessard, Jacob J. and Meena, Chhuttan L. and Sanjayan, Gangadhar J. and Sumerlin, Brent S.} } @article {48117, title = {Kinetic model of GPCR-G protein interactions reveals allokairic modulation of signaling}, journal = {Biophysical Journal}, volume = {121}, year = {2022}, month = {FEB}, pages = {122}, type = {Meeting Abstract}, issn = {0006-3495}, author = {Culhane, Kelly and Gupte, Tejas and Madhugiri, Indrani and Gadgil, Chetan and Sivaramakrishnan, Sivaraj} } @article {48235, title = {Kupyaphores are zinc homeostatic metallophores required for colonization of Mycobacterium tuberculosis}, journal = {Proceedings of the National Academy of Sciences of the United States of America}, volume = {119}, year = {2022}, month = {FEB}, pages = {e2110293119}, type = {Article}, abstract = {

Mycobacterium tuberculosis (Mtb) endures a combination of metal scarcity and toxicity throughout the human infection cycle, contributing to complex clinical manifestations. Pathogens counteract this paradoxical dysmetallostasis by producing specialized metal trafficking systems. Capture of extracellular metal by siderophores is a widely accepted mode of iron acquisition, and Mtb iron-chelating siderophores, mycobactin, have been known since 1965. Currently, it is not known whether Mtb produces zinc scavenging molecules. Here, we characterize low-molecular-weight zinc-binding compounds secreted and imported by Mtb for zinc acquisition. These molecules, termed kupyaphores, are produced by a 10.8 kbp biosynthetic cluster and consists of a dipeptide core of ornithine and phenylalaninol, where amino groups are acylated with isonitrilecontaining fatty acyl chains. Kupyaphores are stringently regulated and support Mtb survival under both nutritional deprivation and intoxication conditions. A kupyaphore-deficient Mtb strain is unable to mobilize sufficient zinc and shows reduced fitness upon infection. We observed early induction of kupyaphores in Mtb-infected mice lungs after infection, and these metabolites disappeared after 2 wk. Furthermore, we identify an Mtb-encoded isonitrile hydratase, which can possibly mediate intracellular zinc release through covalent modification of the isonitrile group of kupyaphores. Mtb clinical strains also produce kupyaphores during early passages. Our study thus uncovers a previously unknown zinc acquisition strategy of Mtb that could modulate host-pathogen interactions and disease outcome.

}, keywords = {metallophore, nutritional immunity, tuberculosis, zinc}, issn = {0027-8424}, doi = {10.1073/pnas.2110293119}, author = {Mehdiratta, Kritee and Singh, Shubham and Sharma, Sachin and Bhosale, Rashmi S. and Choudhury, Rahul and Masal, Dattatraya P. and Manocha, Alzu and Dhamale, Bhushan Dilip and Khan, Naseem and Asokachandran, Vivekanand and Sharma, Pooja and Ikeh, Melanie and Brown, Amanda C. and Parish, Tanya and Ojha, Anil K. and Michael, Joy Sarojini and Faruq, Mohammed and Medigeshi, Guruprasad R. and Mohanty, Debasisa and Reddy, D. Srinivasa and Natarajan, Vivek T. and Kamat, Siddhesh S. and Gokhale, Rajesh S.} } @article {48066, title = {Lewis acid triggered N-alkylation of sulfoximines through nucleophilic ring-opening of donor-acceptor cyclopropanes: synthesis of gamma-sulfoximino malonic diesters}, journal = {Organic \& Biomolecular Chemistry}, volume = {20}, year = {2022}, month = {MAR }, pages = {2518-2529}, type = {Article}, abstract = {

Scandium triflate (Sc(OTf)(3)) catalyzed, mild, and regioselective ring-opening reaction of donor-acceptor (D-A) cyclopropanes has been developed using sulfoximines for the synthesis of gamma-sulfoximino malonic diesters. This protocol allows the synthesis of different N-alkyl sulfoximines in good to excellent yields (up to 94\%) with broad functional group tolerance. In this process, N-H and C-C bonds are cleaved to form new C-N and C-H bonds. The feasibility of this method is supported by a gram-scale reaction and synthetic elaboration of the obtained product.

}, issn = {1477-0520}, doi = {10.1039/d2ob00213b}, author = {More, Satish G. and Suryavanshi, Gurunath} } @article {48364, title = {Lewis acid-catalyzed chemodivergent and regiospecific reaction of phenols with quaternary peroxyoxindoles}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {NOV }, pages = {14155-14167}, type = {Article}, abstract = {

The indium-catalyzed regiospecific coupling of substituted phenol derivatives and quaternary peroxyoxindoles for the synthesis of C2 or C4 benzoxazin-3-one-substituted phenols via skeletal rearrangement is described. This reaction is demonstrated with 17 examples with good yields and diverse aryl substituents. In contrast to the indium-catalyzed reaction, the Cu(OTf)2- catalyzed reaction of the phenol with quaternary peroxyoxindoles afforded C2 or C4 2-oxindole-substituted phenol derivatives. This diverse catalytic reaction generated various biologically important phenol-substituted 2-oxindole derivatives directly without any skeleton rearrangement and was demonstrated with 19 examples in high yield. The regiospecificity and the reaction pathways were explained with the support of density functional theory (DFT).

}, issn = {0022-3263}, doi = {10.1021/acs.joc.2c01701}, author = {Shaikh, Moseen A. and Samal, Pragnya Paramita and Ubale, Akash S. and Krishnamurty, Sailaja and Gnanaprakasam, Boopathy} } @article {48350, title = {Ligands as {\textquoteleft}{\textquoteleft}Matchmakers{\textquoteright}{\textquoteright}: alloying from a physical mixture of metal nanoparticle dispersions by digestive ripening}, journal = {Langmuir}, volume = {38}, year = {2022}, month = {DEC }, pages = {15917-15924}, type = {Article}, abstract = {

Digestive ripening (DR) of a physical mixture of different metal nanoparticles (NPs) in the presence of a suitable ligand is demonstrated to be a convenient way to obtain alloy NPs. The results show that the right choice of metal-ligand combination is extremely important for efficient alloying. The results are rationalized on the basis of hard soft acid base principles, and it is concluded that better alloying ensues if DR is carried out with soft ligands when soft metals are being used and hard ligands facilitate alloying between hard metals. On the other hand, when a physical mixture of hard-soft metals is taken, ligands with intermediate character work better. The results presented here could prove to be extremely valuable and open new avenues of making interesting alloy/intermetallic systems.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.2c01884}, author = {Shimpi, Jayesh R. and Prasad, V. Bhagavatula L.} } @article {48220, title = {Lignocellulose degradation by Penicillium janthinellum enzymes is influenced by its variable secretome and a unique set of feedstock characteristics}, journal = {Bioresource Technology}, volume = {365}, year = {2022}, month = {DEC}, pages = {128129}, type = {Article}, abstract = {

Substrate characteristics and proteins that affect lignocellulose-hydrolysis by the hypercellulolytic fungus Peni-cillium janthinellum NCIM 1366 (PJ-1366) were investigated. The hydrolysis rate of PJ-1366 enzymes was very high, with upto 75 \% of the reaction being completed in initial 4 h. Comparison of the hydrolytic efficiencies on differently pretreated biomass indicated that the greatest (negative) effect was imparted by lignin, suggesting that improving ligninase activity of the PJ-1366 enzymes may help to improve hydrolysis. Larger pore sizes and higher crystallinity of substrates, which favor enzyme penetration and processive hydrolysis, positively influ-enced hydrolysis efficiency. For alkali-pretreated substrates, 16 FPU/g of PJ-1366 cellulases released the sugar -equivalent of using 10 FPU/g of a commercial biomass hydrolyzing enzyme. By correlation analysis, 41 proteins, including 20 CAZymes were identified, whose abundance in the secretome positively correlated with the cellulase activities of the culture filtrate. These proteins may be considered as the primary drivers of FPase/ CMCase/pNPGase/xylanase activity in PJ-1366.

}, keywords = {Biofuel, CAZyme, Cellulase, Penicillium, Secretome}, issn = {0960-8524}, doi = {10.1016/j.biortech.2022.128129}, author = {Christopher, Meera and Sreeja-Raju, Athiraraj and Sankar, Meena and Gokhale, Digambar Vitthal and Pandey, Ashok and Sukumaran, Rajeev K.} } @article {48150, title = {Luminescence turn-off detection of metal ions and explosives using graphene quantum dots}, journal = {MRS Communications}, volume = {12}, year = {2022}, month = {APR}, pages = {168-174}, type = {Article}, abstract = {

Green luminescent graphene quantum dots (GQDs) obtained from combustion of white printing paper were used for detection of fourteen different metal ions and six different explosives in an aqueous medium. These were obtained using a microwave-assisted synthesis process. After optimizing the experimental conditions (pH 6; quantum yield (QY) similar to 38.2\%), a sensitive sensing system was developed to detect explosives and free residual metal ions in the environment based on fluorescence quenching of GQDs. The as-synthesized GQDs, as a sensing system, is most sensitive for Cu2+ ion and 2,4-DNP with a detection limit of 0.62 mu M and 0.50 mu M, respectively.

}, issn = {2159-6859}, doi = {10.1557/s43579-022-00157-w}, author = {Jyotsna, Shubhra and Sadhu, Subha and Sharma, Vinay and Gupta, Preeti and Sharma, Geeta and Poddar, Pankaj} } @article {48154, title = {Luminescent magnesium complexes with intra- and inter-ligand charge transfer}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {OCT}, pages = {11843-11846}, type = {Article}, abstract = {

Herein, we report two 2,2{\textquoteright}-pyridylpyrrolide (PyPyrH) ligand supported magnesium complexes (1 and 2), which demonstrate bright luminescence with a quantum yield of 22\% and 14\% in the solid state, respectively. Theoretical calculations reveal that their emissive properties originate from the intra- and inter-ligand charge transfer.

}, issn = {1359-7345}, doi = {10.1039/d2cc04142a}, author = {Kumar, Rohit and Pahar, Sanjukta and Chatterjee, Joy and Dash, Soumya Ranjan and Gonnade, Rajesh G. and Vanka, Kumar and Sen, Sakya S.} } @article {48236, title = {Machine learning-based approach to determine infection status in recipients of BBV152 (Covaxin) whole-virion inactivated SARS-CoV-2 vaccine for serological surveys}, journal = {Computers in Biology and Medicine}, volume = {146}, year = {2022}, month = {JUL}, pages = {105419}, type = {Article}, abstract = {

Data science has been an invaluable part of the COVID-19 pandemic response with multiple applications, ranging from tracking viral evolution to understanding the vaccine effectiveness. Asymptomatic breakthrough infections have been a major problem in assessing vaccine effectiveness in populations globally. Serological discrimination of vaccine response from infection has so far been limited to Spike protein vaccines since whole virion vaccines generate antibodies against all the viral proteins. Here, we show how a statistical and machine learning (ML) based approach can be used to discriminate between SARS-CoV-2 infection and immune response to an inactivated whole virion vaccine (BBV152, Covaxin). For this, we assessed serial data on antibodies against Spike and Nucleocapsid antigens, along with age, sex, number of doses taken, and days since last dose, for 1823 Covaxin recipients. An ensemble ML model, incorporating a consensus clustering approach alongside the support vector machine model, was built on 1063 samples where reliable qualifying data existed, and then applied to the entire dataset. Of 1448 self-reported negative subjects, our ensemble ML model classified 724 to be infected. For method validation, we determined the relative ability of a random subset of samples to neutralize Delta versus wild-type strain using a surrogate neutralization assay. We worked on the premise that antibodies generated by a whole virion vaccine would neutralize wild type more efficiently than delta strain. In 100 of 156 samples, where ML prediction differed from self-reported uninfected status, neutralization against Delta strain was more effective, indicating infection. We found 71.8\% subjects predicted to be infected during the surge, which is concordant with the percentage of sequences classified as Delta (75.6\%-80.2\%) over the same period. Our approach will help in real-world vaccine effectiveness assessments where whole virion vaccines are commonly used.

}, keywords = {BBV152, Covaxin, COVID-19, Ensemble methods, Infection, machine learning, SARS-CoV-2}, issn = {0010-4825}, doi = {10.1016/j.compbiomed.2022.105419}, author = {Singh, Prateek and Ujjainiya, Rajat and Prakash, Satyartha and Naushin, Salwa and Sardana, Viren and Bhatheja, Nitin and Singh, Ajay Pratap and Barman, Joydeb and Kumar, Kartik and Gayali, Saurabh and Khan, Raju and Rawat, Birendra Singh and Tallapaka, Karthik Bharadwaj and Anumalla, Mahesh and Lahiri, Amit and Kar, Susanta and Bhosale, Vivek and Srivastava, Mrigank and Mugale, Madhav Nilakanth and Pandey, C. P. and Khan, Shaziya and Katiyar, Shivani and Raj, Desh and Ishteyaque, Sharmeen and Khanka, Sonu and Rani, Ankita and Promila and Sharma, Jyotsna and Seth, Anuradha and Dutta, Mukul and Saurabh, Nishant and Veerapandian, Murugan and Venkatachalam, Ganesh and Bansal, Deepak and Gupta, Dinesh and Halami, Prakash M. and Peddha, Muthukumar Serva and Veeranna, Ravindra P. and Pal, Anirban and Singh, Ranvijay Kumar and Anandasadagopan, Suresh Kumar and Karuppanan, Parimala and Rahman, Syed Nasar and Selvakumar, Gopika and Venkatesan, Subramanian and Karmakar, Malay Kumar and Sardana, Harish Kumar and Kothari, Anamika and Parihar, Devendra Singh and Thakur, Anupma and Saifi, Anas and Gupta, Naman and Singh, Yogita and Reddu, Ritu and Gautam, Rizul and Mishra, Anuj and Mishra, Avinash and Gogeri, Iranna and Rayasam, Geethavani and Padwad, Yogendra and Patial, Vikram and Hallan, Vipin and Singh, Damanpreet and Tirpude, Narendra and Chakrabarti, Partha and Maity, Sujay Krishna and Ganguly, Dipyaman and Sistla, Ramakrishna and Balthu, Narender Kumar and Kumar, Kiran A. and Ranjith, Siva and Kumar, B. Vijay and Jamwal, Piyush Singh and Wali, Anshu and Ahmed, Sajad and Chouhan, Rekha and Gandhi, Sumit G. and Sharma, Nancy and Rai, Garima and Irshad, Faisal and Jamwal, Vijay Lakshmi and Paddar, Masroor Ahmad and Khan, Sameer Ullah and Malik, Fayaz and Ghosh, Debashish and Thakkar, Ghanshyam and Barik, S. K. and Tripathi, Prabhanshu and Satija, Yatendra Kumar and Mohanty, Sneha and Khan, Md Tauseef and Subudhi, Umakanta and Sen, Pradip and Kumar, Rashmi and Bhardwaj, Anshu and Gupta, Pawan and Sharma, Deepak and Tuli, Amit and Chaudhuri, Saumya Ray and Krishnamurthi, Srinivasan and Prakash, L. and Rao, V. Ch and Singh, B. N. and Chaurasiya, Arvindkumar and Chaurasiya, Meera and Bhadange, Mayuri and Likhitkar, Bhagyashree and Mohite, Sharada and Patil, Yogita and Kulkarni, Mahesh and Joshi, Rakesh and Pandya, Vaibhav and Mahajan, Sachin and Patil, Amita and Samson, Rachel and Vare, Tejas and Dharne, Mahesh and Giri, Ashok and Mahajan, Sachin and Paranjape, Shilpa and Sastry, G. Narahari and Kalita, Jatin and Phukan, Tridip and Manna, Prasenjit and Romi, Wahengbam and Bharali, Pankaj and Ozah, Dibyajyoti and Sahu, RaviKumar and Dutta, Prachurjya and Singh, Moirangthem Goutam and Gogoi, Gayatri and Tapadar, Yasmin Begam and Babu, Elapavalooru V. S. S. K. and Sukumaran, Rajeev K. and Nair, Aishwarya R. and Puthiyamadam, Anoop and Valappil, Prajeesh Kooloth and Prasannakumari, Adrash Velayudhan Pillai and Chodankar, Kalpana and Damare, Samir and Agrawal, Ved Varun and Chaudhary, Kumardeep and Agrawal, Anurag and Sengupta, Shantanu and Dash, Debasis} } @article {48085, title = {Magnetostriction studies on transition metal substituted cobalt ferrite}, journal = {Journal of the Indian Chemical Society}, volume = {99}, year = {2022}, month = {AUG}, pages = {100599}, type = {Article}, abstract = {

Structural, magnetic and microstructural properties of transition metal (TM) substituted cobalt ferrite Co0.9TM0.1Fe2O4 (where TM = Ti, Cr, Mn, Ni and Cu and Zn) were investigated. The present study shows marked dependence of the magnetostriction on the concentration of the substituted transition metal ions for Cobalt in CoFe2O4. The magnetic characteristics of the prepared compositions such as coercivity, anisotropy constant and saturation magnetization changed significantly on transition metal substitution. The present study shows the way to tune the anisotropy of cobalt ferrite by effective substitution of other transition metal ions for Co which subsequently affects the stress sensing performance by changing the slope of the magnetostriction curve. Apart from the magnetic properties the microstructure can also be effectively modified by substitution of other transition metal ions. Only 10\% substitution of cobalt showed drastic influence on magnetostriction and slope of magnetostriction curve. The composition with 10\% nickel Co0.9Ni0.1Fe2O4 exhibited maximum slope for the magnetostriction curve of -53.7 ppm/Oe, along with reasonably high magnitude of strain of 186 ppm making it a suitable for exploring stress sensing applications.

}, keywords = {Ferrite, Magnetoelastic, Magnetostriction, oxide, stress sensing}, issn = {0019-4522}, doi = {10.1016/j.jics.2022.100599}, author = {Bhame, D. Shekhar and Bhapkar, Abhishek and Shirolkar, Mandar M. and Joy, Pattayil A.} } @article {48357, title = {Maltooligosaccharide forming amylases and their applications in food and pharma industry}, journal = {Journal of Food Science and Technology-Mysore}, volume = {59}, year = {2022}, month = {OCT}, pages = {3733-3744}, type = {Review}, abstract = {

Oligosaccharides are low molecular weight carbohydrates with a wide range of health benefits due to their excellent bio-preservative and prebiotic properties. The popularity of functional oligosaccharides among modern consumers has resulted in impressive market demand. Organoleptic and prebiotic properties of starch-derived oligosaccharides are advantageous to food quality and health. The extensive health benefits of oligosaccharides offered their applications in the food, pharmaceuticals, and cosmetic industry. Maltooligosaccharides and isomaltooligosaccharides comprise 2-10 glucose units linked by alpha-1-4 and alpha-1-6 glycoside bonds, respectively. Conventional biocatalyst-based oligosaccharides processes are often multi-steps, consisting of starch gelatinization, hydrolysis and transglycosylation. With higher production costs and processing times, the current demand cannot meet on a large-scale production. As a result, innovative and efficient production technology for oligosaccharides synthesis holds paramount importance. Malto-oligosaccharide forming amylase (EC 3.2.1.133) is one of the key enzymes with a dual catalytic function used to produce oligosaccharides. Interestingly, Malto-oligosaccharide forming amylase catalyzes glycosidic bond for its transglycosylation to its inheritance hydrolysis and alternative biocatalyst to the multistep technology. Genetic engineering and reaction optimization enhances the production of oligosaccharides. The development of innovative and cost-effective technologies at competitive prices becomes a national priority.

}, keywords = {Glycosyl hydrolases, Isomaltooligosaccharides, Maltooligosaccharide, Maltooligosaccharide forming amylase, Transglycosylation}, issn = {0022-1155}, doi = {10.1007/s13197-021-05262-7}, author = {Shinde, Vidhya K. and Vamkudoth, Koteswara Rao} } @article {48084, title = {Mapping the finite-temperature behavior of conformations to their potential energy barriers: case studies on Si6B and Si5B clusters}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {FEB }, pages = {6167-6173}, type = {Article}, abstract = {

Dynamical simulations of molecules and materials have been the route to understand the rearrangement of atoms within them at different temperatures. Born-Oppenheimer molecular dynamical simulations have further helped to comprehend the reaction dynamics at various finite temperatures. We take a case study of Si6B and Si5B clusters and demonstrate that their finite-temperature behavior is rather mapped to the potential energy surface. The study further brings forth the fact that an accurate description of the dynamics is rather coupled with the accuracy of the method in defining the potential energy surface. A more precise potential energy surface generated through the coupled cluster method is finally used to identify the most accurate description of the potential energy surface and the interconnected finite-temperature behavior.

}, issn = {2470-1343}, doi = {10.1021/acsomega.1c06654}, author = {Maneri, Asma H. and Singh, Chandrodai Pratap and Kumar, Ravi and Maibam, Ashakiran and Krishnamurty, Sailaja} } @article {47810, title = {Mathematical model of the multi-amino acid multi-transporter system predicts uptake flux in CHO cells}, journal = {Journal of Biotechnology}, volume = {344}, year = {2022}, month = {JAN}, pages = {40-49}, type = {Article}, abstract = {Supply and uptake of amino acids is of great importance to mammalian cell culture processes. Mammalian cells such as Chinese hamster ovary (CHO) cells express several amino acid (AA) transporters including uniporters and exchangers. Each transporter transports multiple AAs, making prediction of the effect of changed medium composition or transporter levels on individual AA transport rate challenging. A general kinetic model for such combinatorial amino acid transport, and a simplified analytical expression for the uptake rate as a function of amino acid concentrations and transporter levels is presented. From this general model, a CHO cell-specific AA transport model, to our knowledge the first such network model for any cell type, is constructed. The model is validated by its prediction of reported uptake flux and dependencies from experiments that were not used in model construction or parameter estimation. The model defines theoretical conditions for synergistic/repressive effect on the uptake rates of other AAs upon external addition of one AA. The ability of the CHO-specific model to predict amino acid interdependencies experimentally observed in other mammalian cell types suggests its robustness. This model will help formulate testable hypotheses of the effect of process changes on AA initial uptake, and serve as the AA transport component of kinetic models for cellular metabolism.}, keywords = {Amino acid transport, CHO cell, Exchanger, mathematical model, Multiple transporters}, issn = {0168-1656}, doi = {10.1016/j.jbiotec.2021.12.003}, author = {Sreejan, Ashley and Gadgil, Mugdha and Gadgil, Chetan J.} } @article {47099, title = {Mechanics of soft polymeric materials using a fractal viscoelastic model}, journal = {Mechanics of Time-Dependent Materials}, volume = {26}, year = {2022}, month = {JUN}, type = {Article}, abstract = {

Soft materials are known for their plethora of biomedical applications, intricate structure-property correlation and nonlinear mechanical response. Multiple length-time scale phenomena and hierarchical structure results in their nonlinearity. Phenomenological and continuum mechanical models have been developed to predict their mechanics, which have mostly been very material-specific with inability to predict the mechanics of different types of soft materials simultaneously. This shortcoming has been addressed in the present work, wherein a generic nonlinear viscoelastic model has been proposed to predict the mechanical response of hydrogels, sponges, and xerogels. A fractal derivative viscoelastic model is proposed considering a fractal Maxwell model in parallel with a nonlinear spring. In particular, this model is chosen to qualitatively mimic the material nonlinearity inherent in soft materials. The fractal dashpot in combination with the nonlinear spring accounts for the power law time-dependent rheology of generic soft materials. These two different aspects in the form of nonlinear stiffness and non-Newtonian rheology account for mechanics of most soft materials. The present model is shown to fit well the existing literature results for mechanical response of a multitude of soft material classes with different test conditions and loading rates, which is one of the salient features of the model, apart from its simplistic mathematical framework. Further, a parametric study is reported on the mechanics of nanocellulose loaded poly(vinyl alcohol) xerogel. The model predictions are observed to be in conjunction with the experimental observations.

}, keywords = {Mechanics, Nonlinear, Polymeric composites, Soft materials, viscoelastic}, issn = {1385-2000}, doi = {10.1007/s11043-021-09486-0}, author = {Pramanik, R. and Soni, F. and Shanmuganathan, K. and Arockiarajan, A.} } @article {47899, title = {Mechanistically guided one pot synthesis of phosphine-phosphite and its implication in asymmetric hydrogenation}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {JAN}, pages = {e202101447}, type = {Article}, abstract = {

Although hybrid bidentate ligands are known to yield highly enantioselective products in asymmetric hydrogenation (AH), synthesis of these ligands is an arduous process. Herein, a one pot, atom-economic synthesis of a hybrid phosphine-phosphite (L1) is reported. After understanding the reactivity difference between an 0-nucleophile versus C-nucleophile, one pot synthesis of Senphos (L1) was achieved (72\%). When L1 was treated with [Rh], P-31 NMR revealed bidentate coordination to Rh. Senphos, in the presence of rhodium, catalyzes the AH of Methyl-2-acetamido-3-phenylacrylate and discloses an unprecedented turn over frequency of 2289, along with excellent enantio-selectivity (92\%). The generality is demonstrated by hydrogenating an array of alkenes. The AH operates under mild conditions of 1-2 bar H-2 pressure, at room temperature. The practical relevance of Ll is demonstrated by scaling-up the reaction to 1 g and by synthesizing DOPA, a drug widely employed for the treatment of Parkinson{\textquoteright}s disease. Computational insights indicate that the R isomer is preferred by 3.8 kcal/mol over the S isomer.

}, keywords = {asymmetric hydrogenation, catalysis, DOPA synthesis, One pot synthesis, Phosphine-phosphite ligand}, issn = {1434-193X}, doi = {10.1002/ejoc.202101447}, author = {Sen, Anirban and Kumar, Rohit and Pandey, Swechchha and Raj, K. Vipin and Kumar, Pawan and Vanka, Kumar and Chikkali, Samir H.} } @article {48127, title = {Metagenomic mining of Indian river confluence reveal functional microbial community with lignocelluloytic potential}, journal = {3 Biotech}, volume = {12}, year = {2022}, month = {JUN}, pages = {132}, type = {Article}, abstract = {

Microbial carbohydrate-active enzymes (CAZyme) can be harnessed for valorization of Lignocellulosic biomass (LCB) to value-added chemicals/products. The two Indian Rivers Ganges and the Yamuna having different origins and flow, face accumulation of carbon-rich substrates due to the discharge of wastewater from adjoining paper and pulp industries, which could potentially contribute to the natural enrichment of LCB utilizing genes, especially at their confluence. We analyzed CAZyme diversity in metagenomic datasets across the sacred confluence of the Rivers Ganges and Yamuna. Functional annotation using CAZyme database identified a total of 77,815 putative genes with functional domains involved in the catalysis of carbohydrate degradation or synthesis of glycosidic bonds. The metagenomic analysis detected similar to 41\% CAZymes catalyzing the hydrolysis of lignocellulosic biomass polymers- cellulose, hemicellulose, lignin, and pectin. The Beta diversity analysis suggested higher CAZyme diversity at downstream region of the river confluence, which could be useful niche for culture-based studies. Taxonomic origin for CAZymes revealed the predominance of bacteria (97\%), followed by archaea (1.67\%), Eukaryota (0.63\%), and viruses (0.7\%). Metagenome guided CAZyme diversity of the microflora spanning across the confluence of Ganges-Yamuna River, could be harnessed for biomass and bioenergy applications.

}, keywords = {CAZymes, Confluence (Sangam), Lignocellulosic, River Ganges, River Yamuna}, issn = {2190-572X}, doi = {10.1007/s13205-022-03190-7}, author = {Rajput, Vinay and Samson, Rachel and Yadav, Rakeshkumar and Dastager, Syed and Khairnar, Krishna and Dharne, Mahesh} } @article {48024, title = {Metal-free access to hindered N-alkyl sulfoximines via in-situ generated Aza-oxyallyl cations from functionalized alkyl bromide}, journal = {Asian Journal of Organic Chemistry}, volume = {11}, year = {2022}, month = {JUL}, pages = {e202200210}, type = {Article}, abstract = {

Herein, we report a catalyst-free and mild synthetic method for the construction of hindered N-alkyl sulfoximines derivative. A wide range of hindered di-alkyl sulfoximines can be readily obtained from the reaction of alpha-bromo-hydroxamates with a variety of sulfoximines, including diaryl, aryl-alkyl, di-alkyl and heteroaryl sulfoximines.

}, keywords = {alpha-Bromo hydroxamates, Aza-oxyallyl cations, Di-alkyl sulfoximines, metal-free, Sulfoximines}, issn = {2193-5807}, doi = {10.1002/ajoc.202200210}, author = {More, Satish G. and Mane, Kishor D. and Suryavanshi, Gurunath} } @article {47997, title = {Metal-free aminocarbonylation of p-quinone methides with isocyanides: synthesis of sterically hindered alpha-arylated acetamides}, journal = {Chemistry-an Asian Journal}, volume = {17}, year = {2022}, month = {OCT}, pages = {e202200642}, type = {Article}, abstract = {

The synthesis of sterically hindered alpha-arylated acetamides generally requires a multistep reaction sequence and is also difficult to access due to steric constraints. This protocol allows the synthesis of sterically hindered alpha-arylated acetamides in moderate to high yields via 1,6-addition of isocyanides to p-quinone methides in the presence of BF3 center dot OEt2. The present transformation features transition metal-free conditions, avoiding the use of toxic carbon monoxide, broad substrate scope, mild reaction conditions, and operational simplicity.

}, keywords = {Aminocarbonylation, Isocyanide, p-Quinone methide, Sterically Hindered alpha-Arylated Acetamides}, issn = {1861-4728}, doi = {10.1002/asia.202200642}, author = {Shirsath, Sachin R. and More, Devidas A. and Muthukrishnan, M.} } @inbook {47812, title = {Molecular determinants of GPCR pharmacogenetics: deconstructing the population variants in β2-adrenergic receptor}, booktitle = {Advances in Protein Chemistry and Structural Biology}, volume = {128}, year = {2022}, month = {JAN}, pages = {361-396}, type = {Article}, abstract = {

G protein-coupled receptors (GPCRs) are membrane proteins that play a central role in cell signaling and constitute one of the largest classes of drug targets. The molecular mechanisms underlying GPCR function have been characterized by several experimental and computational methods and provide an understanding of their role in physiology and disease. Population variants arising from nsSNPs affect the native function of GPCRs and have been implicated in differential drug response. In this chapter, we provide an overview on GPCR structure and activation, with a special focus on the β2-adrenergic receptor (β2-AR). First, we discuss the current understanding of the structural and dynamic features of the wildtype receptor. Subsequently, the population variants identified in this receptor from clinical and large-scale genomic studies are described. We show how computational approaches such as bioinformatics tools and molecular dynamics simulations can be used to characterize the variant receptors in comparison to the wildtype receptor. In particular, we discuss three examples of clinically important variants and discuss how the structure and function of these variants differ from the wildtype receptor at a molecular level. Overall, the chapter provides an overview of structure and function of GPCR variants and is a step towards the study of inter-individual differences and personalized medicine.

}, isbn = {9780323988957}, doi = {10.1016/bs.apcsb.2021.08.002}, author = {Joshi, Manali and Nikte, Siddhanta and Sengupta, Durba} } @article {47986, title = {Molecular mechanisms underlying caveolin-1 mediated membrane curvature}, journal = {Journal of Membrane Biology}, volume = {255}, year = {2022}, month = {JUN}, pages = {225-236}, type = {Article}, abstract = {

Caveolin-1 is one of the main protein components of caveolae that acts as a mechanosensor at the cell membrane. The interactions of caveolin-1 with membranes have been shown to lead to complex effects such as curvature and the clustering of specific lipids. Here, we review the emerging concepts on the molecular interactions of caveolin-1, with a focus on insights from coarse-grain molecular dynamics simulations. Consensus structural models of caveolin-1 report a helix-turn-helix core motif with flanking domains of higher disorder that could be membrane composition dependent. Caveolin-1 appears to be mainly surface-bound and does not embed very deep in the membrane to which it is bound. The most interesting aspect of caveolin-1 membrane binding is the interplay of cholesterol clustering and membrane curvature. Although cholesterol has been reported to cluster in the vicinity of caveolin-1 by several approaches, simulations show that the clustering is maximal in membrane leaflet opposing the surface-bound caveolin-1. The intrinsic negative curvature of cholesterol appears to stabilize the negative curvature in the opposing leaflet. In fact, the simulations show that blocking cholesterol clustering (through artificial position restraints) blocks membrane curvature, and vice versa. Concomitant with cholesterol clustering is sphingomyelin clustering, again in the opposing leaflet, but in a concentration-dependent manner. The differential stress due to caveolin-1 binding and the inherent asymmetry of the membrane leaflets could be the determinant for membrane curvature and needs to be further probed. The review is an important step to reconcile the molecular level details emerging from simulations with the mesoscopic details provided by state of the art experimental approaches. [GRAPHICS] .

}, keywords = {Cholesterol clustering, Membrane curvature, Protein-lipid interactions}, issn = {0022-2631}, doi = {10.1007/s00232-022-00236-y}, author = {Prakash, Shikha and Malshikare, Hrushikesh and Sengupta, Durba} } @article {47391, title = {Molecular phylogeny, structure modeling and in silico screening of putative inhibitors of aerolysin of Aeromonas hydrophila EUS112}, journal = {Journal of Biomolecular Structure \& Dynamics}, volume = {40}, year = {2022}, month = {JUN}, type = {Article}, abstract = {

Aeromonas hydrophila, a Gram-negative bacterium, causes diseases in fish, resulting in excessive loss to the aquaculture industry. Aeromonas is a highly heterogeneous group of bacteria, and the heterogeneity of the genus is attributed to variation and diversity in the virulence factors and toxins among various Aeromonas strains. One of the major toxins aerolysin, secreted by the bacterium, causes hemorrhagic-septicemia and diarrhea and can serve as a drug target. Here, we describe characterization, molecular phylogeny, and homology modeling of the aerolysin of A. hydrophila strain EUS112 (Ah(EUS112)) cloned in our lab. The encoded aerolysin is 485 amino acids long with an N-terminal signal sequence of 23 amino acids. Phylogenetic analysis of the aerolysin of Ah(EUS112) revealed that it belongs to a diverse group of toxins, showing maximum similarity with aerolysins of other Aeromonas strains followed by Vibrio toxin. The homology model of the mature aerolysin of Ah(EUS112) was generated using the crystal structure of a mutant aerolysin (PDB\#3g4n) as the template, which showed that the encoded aerolysin exists as a channel protein. Validation of the generated model using bioinformatics tool confirmed it to be a good quality model that can be used for drug design. Molecular dock analysis revealed that drugs, aralia-saponin I, cyclamin, ardisiacrispin B, and aralia-saponin II bind to aerolysin with a higher affinity as compared to other drugs and at functionally important amino acids of aerolysin. Hence, these molecules can act as an effective therapeutics for inhibiting the aerolysin pore formation and curtail the severity of Aeromonas infection. Communicated by Ramaswamy H. Sarma

}, keywords = {Aerolysin, homology modeling, Molecular docking, Molecular dynamic simulation, phylogenetic tree}, issn = {0739-1102}, doi = {10.1080/07391102.2021.1918254, Early Access Date = APR 2021}, author = {Yadav, Sunita Kumari and Panwar, Deepak and Singh, Ankita and Tellis, Meenakshi B. and Joshi, Rakesh Shamsunder and Dixit, Aparna} } @article {48141, title = {Monomeric magnesium catalyzed alkene and alkyne hydroboration}, journal = {Chemistry-A European Journal}, volume = {28}, year = {2022}, month = {OCT }, type = {Article}, abstract = {

In this work, two monomeric magnesium alkyl complexes (1 and 2) were prepared using bis(phosphino)carbazole framework and among them 1 has been used as a catalyst for hydroboration of alkenes and alkynes with pinacolborane (HBpin). A broad variety of aromatic and aliphatic alkenes and alkynes were efficiently reduced. Anti-Markovnikov regioselective hydroboration of alkenes and alkynes was achieved, which was confirmed by deuterium-labelling experiments. The work represents the first example of the use of magnesium in homogeneous catalytic hydroboration of alkene with broad substrate scope. Experimental mechanistic investigations and DFT calculations provided insights into the reaction mechanism. Finally, the hydroboration protocol was extended to terpenes.

}, keywords = {carbazole, Magnesium, monomeric complexes, phosphorous, X-ray Structure}, issn = {0947-6539}, doi = {10.1002/chem.202201896}, author = {Kumar, Rohit and Dutta, Sayan and Sharma, Vishal and Singh, Praval P. and Gonnade, Rajesh G. and Koley, Debasis and Sen, Sakya S.} } @article {48157, title = {Morphology-tuned Pt3Ge accelerates water dissociation to industrial-standard hydrogen production over a wide pH range}, journal = {Advanced Materials}, volume = {34}, year = {2022}, month = {JUL}, pages = {2202294}, type = {Article}, abstract = {

The discovery of novel materials for industrial-standard hydrogen production is the present need considering the global energy infrastructure. A novel electrocatalyst, Pt3Ge, which is engineered with a desired crystallographic facet (202), accelerates hydrogen production by water electrolysis, and records industrially desired operational stability compared to the commercial catalyst platinum is introduced. Pt3Ge-(202) exhibits low overpotential of 21.7 mV (24.6 mV for Pt/C) and 92 mV for 10 and 200 mA cm(-2) current density, respectively in 0.5 m H2SO4. It also exhibits remarkable stability of 15 000 accelerated degradation tests cycles (5000 for Pt/C) and exceptional durability of 500 h (@10 mA cm(-2)) in acidic media. Pt3Ge-(202) also displays low overpotential of 96 mV for 10 mA cm(-2) current density in the alkaline medium, rationalizing its hydrogen production ability over a wide pH range required commercial operations. Long-term durability (\>75 h in alkaline media) with the industrial level current density (\>500 mA cm(-2)) has been demonstrated by utilizing the electrochemical flow reactor. The driving force behind this stupendous performance of Pt3Ge-(202) has been envisaged by mapping the reaction mechanism, active sites, and charge-transfer kinetics via controlled electrochemical experiments, ex situ X-ray photoelectron spectroscopy, in situ infrared spectroscopy, and in situ X-ray absorption spectroscopy further corroborated by first principles calculations.

}, keywords = {Electrochemistry, hydrogen production, intermetallics, water electrolysis}, issn = {0935-9648}, doi = {10.1002/adma.202202294}, author = {Mondal, Soumi and Sarkar, Shreya and Bagchi, Debabrata and Das, Tisita and Das, Risov and Singh, Ashutosh Kumar and Prasanna, Ponnappa Kechanda and Vinod, C. P. and Chakraborty, Sudip and Peter, Sebastian C.} } @article {48367, title = {Multi-purpose synthetic alpha-amino acid featuring coumarin and ureidopyrimidinone motifs on its backbone: Synthesis and peptide formation}, journal = {Tetrahedron Letters}, volume = {93}, year = {2022}, month = {MAR}, pages = {153695}, type = {Article}, abstract = {

Herein we report a synthetic a-amino acid featuring intensely fluorescent coumarin moiety and a strongly self-assembling ureidopyrimidinone (UPy) motif. This two-in-one synthetic amino acid, displaying both fluorescence and self-assembling property, has been synthesized in four easy steps starting from commercially available inexpensive starting materials. Suitably protected amino acid has been incorporated into various peptide sequences, following solution-phase peptide coupling protocols, to demonstrate its synthetic feasibility.(c) 2022 Elsevier Ltd. All rights reserved.

}, keywords = {Fluorescent amino acids, Fluorescent Peptides, Quadruple hydrogen bonding, Unnatural amino acids, Ureidopyrimidinone}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2022.153695}, author = {Rashid, P. P. and Sanjayan, Gangadhar J.} } @article {48214, title = {MXenes: advances in the synthesis and application in supercapacitors and batteries}, journal = {Journal of Materials Research}, volume = {37}, year = {2022}, month = {NOV}, pages = {3865-3889}, type = {Review}, abstract = {

MXenes, the newest family member of the two-dimensional materials have been widely investigated for different applications, particularly in the energy storage realm. With regard to this, MXene precursors have attained widespread attention for the application in electrochemical energy storage devices especially supercapacitors and batteries. This review has comprehensively studied various synthesis strategies adopted for MXenes including the top-down and bottom-up approaches. The shift to renewable energy alternatives have focused on the electrochemical choices such as supercapacitors and batteries, the most common and relevant ones. Thus the application of MXenes and its composite in supercapacitors as electrodes have been analyzed along with its detailed mechanism and electrochemical performance. Several battery chemistries including lithium-ion, sodium-ion and other battery systems utilizing MXenes have also been discussed here. Thus the existing strategies, advancements, and drawbacks regarding the inclusivity of MXenes in the electrochemical energy systems of supercapacitors and batteries are reviewed in this article.

}, issn = {0884-2914}, doi = {10.1557/s43578-022-00770-4}, author = {Wasnik, Kundan and Pawar, Meenakshi D. and Raphael, Leya Rose and Pullanchiyodan, Abhilash and Shelke, V. Manjusha and Raghavan, Prasanth} } @article {48139, title = {Nanocellulose/melanin-based composites for energy, environment, and biological applications}, journal = {Journal of Materials Science}, volume = {57}, year = {2022}, month = {AUG}, pages = {14188-14216}, type = {Review}, abstract = {

Melanins, a class of brown-black pigments present in many natural sources, exhibit unique physical and chemical properties such as photoprotection, photoconductivity, metal ion chelation, free radical quenching, proton conductivity, and significant antimicrobial properties. These properties could be leveraged in various environmental and energy applications. However, their limited solubility makes them less amenable to processing. Over the last decade, there has been tremendous interest in developing synthetic analogs of melanin that are easy to dissolve and process. Nonetheless, melanins or their synthetic analogs cannot form mechanically robust free-standing films and fibers. This drawback could be partly circumvented by creating composites of melanin with nanocellulose, a nanomaterial derived from cellulosic biomass. Composites of melanins and nanocellulose offer an opportunity to utilize the functional aspects of melanin-like polymers in a mechanically stable nanocellulose network. This review attempts to capture the recent developments on this topic with special emphasis on technologically relevant applications.

}, issn = {0022-2461}, doi = {10.1007/s10853-022-07512-1}, author = {Ram, Farsa and Yadav, Prashant and Shanmuganathan, Kadhiravan} } @article {48415, title = {Noble-metal-free heterojunction photocatalyst for selective CO2 reduction to methane upon induced strain relaxation}, journal = {ACS Catalysis}, volume = {12}, year = {2022}, month = {JAN }, pages = {687-697}, type = {Article}, abstract = {

Sunlight-driven CO2 hydrogenation has drawn tremendous attention. However, selective CH4 formation via CO2 photoreduction is very challenging. Herein, we report a metal oxide semiconductor heterojunction consisting of BiVO4 and WO3 as a photocatalyst for the efficient conversion of carbon dioxide (CO2) selectively to methane (105 mu mol g(-1) h(-1)) under visible light in the absence of a sacrificial agent. Wise selection of the reaction medium and the strategically tuned heterojunction upon strain relaxation suppresses the competitive hydrogen generation reaction. The detailed photophysical, photoelectrochemical, and X-ray absorption spectroscopy studies pointed to the Z-scheme mechanism of electron transfer, which favors superior electron and hole separation compared to the individual components of the composite catalyst and other well-known photocatalysts reported for CO2 reduction. The observations are further corroborated by experimental diffuse reflectance infrared Fourier transform spectroscopy and theoretical density-functional theory calculations, which reveal that the heterojunction has a lower free-energy barrier for CO2 conversion to CH4 due to the larger stabilization of the *CH2O intermediate on the strain-relaxed heterojunction surface, in comparison to the pristine BiVO4 surface. The present work provides fundamental insights for constructing high-performance heterojunction photocatalysts for the selective conversion of CO2 to desired chemicals and fuels.

}, keywords = {CO2 reduction, heterostructure, methane, Photocatalysis, Z-scheme}, issn = {2155-5435}, doi = {10.1021/acscatal.1c04587}, author = {Das, Risov and Sarkar, Shreya and Kumar, Ritesh and Ramarao, Seethiraju D. and Cherevotan, Arjun and Jasil, Mohammed and Vinod, Chathakudath P. and Singh, Abhishek Kumar and Peter, Sebastian C.} } @article {47770, title = {Novel 3-fluoro-4-morpholinoaniline derivatives: synthesis and assessment of anti-cancer activity in breast cancer cells}, journal = {Journal of Molecular Structure}, volume = {1253}, year = {2022}, month = {APR }, pages = {132127}, type = {Article}, abstract = {Heterocyclic morpholine compounds are well-known for their anti-cancer activity. In this study, novel morpholine and its sulfonamide derivatives were designed and synthesized as potential anti-tumor agents. The new compounds were obtained from amine derivatives via nucleophilic addition reactions, providing the desired products in 70 to 90\% yield. The docking analysis was performed for all thirty-one compounds. Out of them, we represent the docking poses for compounds NAM-5 and NAM-7 as representatives. After docking analysis, compounds NAM-5 and NAM- 7 were tested for in vitro antitumor activity against breast cancer cell lines (MCF-7 and MDA-MB-231) and healthy mouse embryonic fibroblast cell line (3T3L-1). Amongst these, sulfonamide group-containing compound NAM-5 showed significant anti-proliferative activity with IC50 of 1.811 mu M and 2.143 mu M for MCF-7 and MDA-MB-231 cells, respectively. On the other hand, NAM-7 showed good anti-proliferative activity against MCF-7 (IC50 1.883 mu M) but slightly lower activity against MDA-MB-231 cells (IC50 4.688 mu M). The activity of both the compound was also tested on 3T3L-1 Cell line which showed activity similar to clinically approved anti-cancer drug doxorubicin (DOX). The cell death analysis by flow-cytometry confirmed apoptosis mediated cell death in 3T3L-1, MCF-7 and MDA-MB-231 cells when treated with the NAM-5 and NAM-7, respectively. The results demonstrated that the synthesized sulfonamide derivatives have significant potential as anti-cancer agents and have a substantial importance in cancer therapeutics with favourable safety profile. Structural analysis of docked poses of sulfonamide derivatives attempts to shed light on the structural basis of sulfonamide derivatives based anti-cancer effect. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {Anticancer activity, Apoptosis, Breast cancer, Heterocyclic compounds, Morpholine, Sulfonamide}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2021.132127}, author = {More, Namita A. and Jadhao, Nitin L. and Meshram, Rohan J. and Tambe, Prajakta and Salve, Rajesh A. and Sabane, Jagjivan K. and Sawant, Sanskruti N. and Gajbhiye, Virendra and Gajbhiye, Jayant M.} } @article {48175, title = {Novel crystal forms of Entresto: a supramolecular complex of trisodium sacubitril/valsartan hemi-pentahydrate}, journal = {Crystengcomm}, volume = {24}, year = {2022}, month = {OCT}, pages = {7387-7393}, type = {Article}, abstract = {

Entresto is a salt-cocrystal supramolecular complex with the chemical name trisodium sacubitril/valsartan hemi-pentahydrate for treating chronic heart failure and was approved by the US FDA in 2015. This multidrug complex was synthesized in our laboratory to investigate its polymorphic behavior. Different crystallization conditions, including various solvent systems, yielded different novel solid forms of Entresto (Form-I to Form-VI), including the reported form. All the novel solids are solvent-dependent and were reproducibly crystallized on a 10 g scale quantity. The 1H NMR spectra confirmed the 1 : 1 stoichiometry of the two drugs, namely, sacubitril and valsartan, in all the solid forms of the crystalline products. Powder X-ray diffraction and DSC analysis of the crystalline solids established that they are distinct crystalline forms. Stability studies under ambient conditions carried out over a one-year period showed higher stability for Form-I and Form-III compared to the other forms, including the innovator crystal form (labelled as Form-II). The novel crystal forms (notably Form-I and Form-III) exhibit higher stability and less hygroscopicity than the reported Form-II.

}, doi = {10.1039/d2ce01009g}, author = {Shaikh, Tabrez R. and George, Christy P. and Bhukya, Priyanka and Shelke, Nikita and Pawar, Komal and Garai, Abhijit and Dandela, Rambabu and Gonnade, Rajesh G. and Nangia, Ashwini K.} } @article {47593, title = {Novel lignin as natural-biodegradable binder for various sectors-A review}, journal = {Journal of Applied Polymer Science}, volume = {139}, year = {2022}, month = {APR }, pages = {e51951}, type = {Review}, abstract = {Lignin functions as an essential polymer in plants that forms the plant body{\textquoteright}s structural framework. The natural glue holds the cellulosic fibers together in the plant body, thereby providing rigidity and strength. Despite this, lignin shows promising relevance for biomaterial production due to its abundance, nontoxic nature and biodegradability. Considerably, adhesive components were derived from petroleum, which is increasingly more expensive. Hence, lignin, the natural glue in plant materials, gained much popularity because of its phenolic nature, making it an attractive substitute for adhesives. Lignin-based binders are produced through phenols substitution in phenol-formaldehyde resins with lignin due to their similar structural framework. Many researchers have confirmed the multifunctional applications of lignin, such as wood adhesive in fiber board, plywood and particleboard, a binder in printed wiring boards, abrasive tools, epoxy asphalts, epoxy wood composites, 3D printing, adhesive hydrogels, soil suppressants, lignocellulosic paper and coatings. This review presents a comprehensive description of the utilization of lignin-based binders for different applications. The present work highlights the discussion on the various methods by which lignin can be used to replace synthetic binders. This review focuses on global research work introducing lignin in different chemical adhesives for a more cost-effective and less harmful alternative.}, keywords = {binder, biodegradable, lignin, multifunctional}, issn = {0021-8995}, doi = {10.1002/app.51951}, author = {Mili, Medha and Hashmi, Sayed Azhar Rasheed and Ather, Madeeha and Hada, Vaishnavi and Markandeya, Nishant and Kamble, Sanjay and Mohapatra, Mamata and Rathore, Sanjai Kumar Singh and Srivastava, Avanish Kumar and Verma, Sarika} } @article {47814, title = {Novel pharmaceutical cocrystal of apalutamide, a nonsteroidal antiandrogen drug: synthesis, crystal structure, dissolution, stress, and excipient compatibility}, journal = {Crystal Growth \& Design}, volume = {22}, year = {2022}, month = {JAN}, pages = {1130-1142}, abstract = {Apalutamide (APA), a second-generation nonsteroidal antiandrogen BCS Class II drug with poor solubility and high permeability. A novel 1:1 cocrystal of Apalutamide (APA) with methylparaben (MP) was identified by cooling crystallization during the cocrystal screening and characterized by various solid-state techniques, such as PXRD, DSC, TGA, FT-IR, and 13C solid-state CP-MAS NMR spectroscopy. The crystal structures of APA and its cocrystal (APA-MP) were determined by the SC-XRD technique. The crystal structure analysis of the APA-MP cocrystal revealed that the APA and MP molecules are connected through strong O{\textendash}H{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}O hydrogen bonds. The novel cocrystal improves the solubility and dissolution rate in different physiological conditions compared to poorly soluble APA due to strong hydrogen bond between the drug and the coformer. The cocrystal is stable (physically and chemically) under stress conditions, such as exposure to the relative humidity, mechanical grinding, open exposure to atmosphere at cRT (critical room temperature) and compression pressure of 10 tons. In addition, the compatibility of the cocrystal with excipients used in the drug product of APA (ERLEADA) was also investigated, and no disproportionation of cocrystal was observed.}, doi = {10.1021/acs.cgd.1c01087}, author = {Saladi, Venkata Narasayya and Kammari, Bal Raju and Mandad, Pratap Reddy and Krishna, Gamidi Rama and Sajja, Eswaraiah and Thirumali, Rajan S. and Marutapilli, Arthanareeswari and Mathad, Vijayavitthal T.} } @article {48142, title = {Nucleophilic substitution at a coordinatively saturated five-membered NHC center dot haloborane centre}, journal = {Inorganics}, volume = {10}, year = {2022}, month = {JUL}, pages = {97}, type = {Article}, abstract = {

In this paper, we have used a saturated five-membered N-Heterocyclic carbene (5SIDipp = 1,3-bis-(2,6-diisopropylphenyl)imidazolin-2-ylidine) for the synthesis of SNHC-haloboranes adducts and their further nucleophilic substitutions to put unusual functional groups at the central boron atom. The reaction of 5-SIDipp with RBCl2 yields Lewis-base adducts, 5-SIDipp center dot RBCl2 [R = H (1), Ph (2)]. The hydrolysis of 1 gives the NHC stabilized boric acid, 5-SIDipp center dot B(OH)(3) (3), selectively. Replacement of chlorine atoms from 1 and 2 with one equivalent of AgOTf led to the formation of 5-SIDipp center dot HBCl(OTf) (4) and 5-SIDipp center dot PhBCl(OTf) (5a), where all the substituents on the boron atoms are different. The addition of two equivalents of AgNO3 to 2 leads to the formation of rare di-nitro substituted 5-SIDipp center dot BPh(NO3)(2) (6). Further, the reaction of 5-SIDipp with B(C6F5)(3) in tetrahydrofuran and diethyl ether shows a frustrated Lewis pair type small molecule activated products, 7 and 8.

}, keywords = {NHC-haloboranes, nucleophilic substitution, saturated NHC, tetra-coordinate boron}, doi = {10.3390/inorganics10070097}, author = {Kundu, Gargi and Tothadi, Srinu and Sen, Sakya S.} } @article {47777, title = {One-pot concurrent biosynthesis of biphasic CuxO (cuprous and cupric oxide) nanoparticles using leaf extract of Eichhornia crassipes and investigation of their potent healthcare applications}, journal = {Emergent Materials}, year = {2022}, month = {FEB}, type = {Article}, abstract = {Eichhornia crassipes, an aquatic weed, has been used for the one-pot quick synthesis of cuprous and cupric oxide nanoparticles in this report. The identification and validation of the formed nanoparticles were successfully done by sophisticated characterization techniques such as UV{\textendash}visible spectroscopy, transmission electron microscopy (TEM), X-ray diffraction (XRD), and Fourier transform infrared (FTIR) spectroscopy. Their biomedical interventions were assessed by their antioxidant and anticancer activities. The synthesized nanoparticles have a spherical morphology with an average diameter of 10~nm. Antioxidant assay performed showed an increasing trend in a dose-dependent manner with the percentage radical scavenging activity up to 94.70\% at a much higher concentration of 1000~{\textmu}g/ml. The antioxidant potential at such higher concentration is suspected to invoke a change in the cytotoxic potential of the nanoparticles which is then verified by the MTT assay. A significant cytotoxic activity against HeLa (cervical cancer) and HCT 116 (colorectal carcinoma) cell lines was detected with noted IC50 values of 17.17 and 13.70~{\textmu}g/ml respectively. The conclusive findings obtained are enough to substantiate the use of these nanoparticles in biomedical areas specifically in anticancer treatment due to their high toxicities. The hazards imposed by Eichhornia crassipes can be alleviated by using them as biofactories for the synthesis of a variety of nanomaterials. This helps in curbing the water pollution issues as well as the developing synthesis protocols for robust and stable nanoparticles.}, isbn = {2522-574X}, doi = {10.1007/s42247-022-00347-1}, url = {https://doi.org/10.1007/s42247-022-00347-1}, author = {Moudgil, Aliesha and Varma, Sanjana and Shinde, Manish D. and Vamkudoth, Koteswara Rao and Sarkar, Dhiman M. and Shende, Rajnigandha A. and Amalnerkar, Dinesh and Chaudhari, Bhushan P.} } @article {48086, title = {Palladium mediated selective cleavage of benzyl and allyl phosphates: a convenient non-hydrogenolytic method for the synthesis of phosphates and phospholipids.}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {JUL }, pages = {e202201167}, type = {Article}, abstract = {

Palladium(II) hydroxide on carbon is a catalyst routinely used for the cleavage of O-benzyl groups by hydrogenolysis to obtain the corresponding parent organic compound. The work described in this article shows that allyl and benzyl phosphates, can be cleaved efficiently and selectively using palladium(II) hydroxide on carbon, under non-hydrogenolytic and neutral conditions, precluding the migration of acyl groups. The utility of these cleavage reactions for the synthesis of diacylglycerol and phosphatidic acid, containing unsaturation, is demonstrated. These methods have high potential for the synthesis of a variety of phosphates and natural phospholipids.

}, keywords = {Carbohydrate, Ether cleavage, Palladium, Phosphate, Phospholipid, Protecting group}, issn = {2365-6549}, doi = {10.1002/slct.202201167}, author = {Mart, Alson and Sarkar, Nitai N. and Shashidhar, Mysore S.} } @article {48072, title = {Perception of glycerol carbonate as green chemical: synthesis and applications}, journal = {Catalysis Communications}, volume = {172}, year = {2022}, month = {DEC}, pages = {106542}, type = {Article}, abstract = {

Glycerol carbonate (GC) is a prominent component in industrial practice and has a remarkable potential for the sophisticated applications. While GC has come into prominence due to the perceived overflow of glycerol (GLY) as a coproduct of biodiesel industry, its contemporary and future downstream applications are driving tremendous interest in recent years. This review comprises strategies for glycerol carbonate synthesis, properties and its applications. The conversion of GLY to GC via transesterification has appeared in consensus to be the most promising route. A detailed explanation of the effect of the catalysts and operating conditions on the GC yield to provide an updated understanding of the process are summarized. Future directions for GC production through catalytic transesterification are also discussed.

}, keywords = {Biodiesel, biofuels, catalysis, Glycerol, Glycerol carbonate, green chemistry, transesterification}, issn = {1566-7367}, doi = {10.1016/j.catcom.2022.106542}, author = {Gade, Swapna M. and Saptal, Vitthal B. and Bhanage, Bhalchandra M.} } @article {48063, title = {Pharmaceutical standardization and physicochemical characterization of traditional ayurvedic mineral drug red ochre roasted in cow{\textquoteright}s ghee (Shuddha Gairik)}, journal = {Indian Journal of Traditional Knowledge}, volume = {21}, year = {2022}, month = {APR}, pages = {303-316}, type = {Article}, abstract = {

Rasashastra is a pharmaceutics branch of Ayurveda describing scientific methods to convert metals and minerals into bio-compatible formulations used individually or plant admixed to enhance their bioavailability and efficacy. In the present study, red ochre (Gairik) powder was processed in cow{\textquoteright}s ghee by textual method of roasting. The steps of preparation and changes in the properties therein were documented and validated in triplicate batches to develop a monograph. Ayurvedic and basic tests were performed to determine the properties of Shuddha Gairik. The physical characterization included Scanning Electron Microscopy (SEM), X-ray Diffraction (XRD), Fourier Transform Infra-red (FT-IR), Dynamic Light Scattering (DLS) and Thermo-gravimetric Analysis (TGA). Elemental composition was estimated by titration and gravimetric analysis while heavy metal limits were assessed using Inductively Coupled Plasma Optical Emission Spectrophotometry (ICPOES). This study depicted that crude red ochre, containing Kaolinite with high iron percentage, on roasting in cow{\textquoteright}s ghee led to the formation of fatty acids adsorbed red ochre particles. The developed monograph will be a guideline to the Ayurvedic industry for precise formulation of Shuddha Gairik. This will help researchers for better understanding the importance of Ayurvedic methods of pharmaceutical preparations and carry out their mechanistic studies in various diseases.

}, keywords = {Ferric oxide, Gairik, Kaolinite, Monograph, Red ochre, Roasting}, issn = {0972-5938}, author = {Chavan, S. B. and Gupta, V. S. and Deshmukh, V. V. and Sardeshmukh, S. P.} } @article {48039, title = {Poly(N-vinylcaprolactam) containing solid lipid polymer hybrid nanoparticles for controlled delivery of a hydrophilic drug gemcitabine hydrochloride}, journal = {RSC Advances}, volume = {12}, year = {2022}, month = {JUN}, pages = {17621-17628}, type = {Article}, abstract = {

Folic acid tagged and hydrophilic polymer containing solid lipid nanoparticles (SLNs) were formulated for the controlled and targeted delivery of gemcitabine, a hydrophilic drug. Drug loaded SLNs were prepared by double emulsion method and optimized by 3(2) level factorial design. Then, a hydrophilic polymer, namely, poly(N-vinylcaprolactam) (PVCL) was incorporated in the optimized SLN batch in the first aqueous phase (W1) to obtain solid lipid polymer hybrid nanoparticles (SLPHNs) that were further decorated with folic acid (F-SLPHNs). TEM analysis of SLNs and SLPHNs revealed the spherical shape with no aggregation while SLPHNs showed higher \% EE. SLPHNs exhibited limited burst release of gemcitabine compared to SLNs as well as lower overall \% release. All the formulations showed good cytocompatibility against MDA-MB-231 cell lines and folic acid-tagged hybrid particles (F-SLPHNs) showed remarkably higher cellular uptake.

}, doi = {10.1039/d2ra02845j}, author = {Surapaneni, Sai Geetika and Ambade, V. Ashootosh} } @article {48094, title = {Potential- and time-dependent dynamic nature of an oxide-derived pdin nanocatalyst during electrochemical CO2 reduction}, journal = {ACS Nano}, volume = {16}, year = {2022}, month = {APR}, pages = {6185-6196}, type = {Article}, abstract = {

Electrochemical reduction of CO2 into valuable fuels and chemicals is a promising route of replacing fossil fuels by reducing CO2 emissions and minimizing its adverse effects on the climate. Tremendous efforts have been carried out for designing efficient catalyst materials to selectively produce the desired product in high yield from CO2 by the electrochemical process. In this work, a strategy is reported to enhance the electrochemical CO2 reduction reaction (ECO2RR) by constructing an interface between a metal-based alloy (PdIn) nanoparticle and an oxide (In2O3), which was synthesized by a facile solution method. The oxide-derived PdIn surface has shown excellent eCO(2)RR activity and enhanced CO selectivity with a Faradaic efficiency (FE) of 92.13\% at -0.9 V (vs RHE). On the other hand, surface PdO formation due to charge transfer on the bare PdIn alloy reduces the CO2RR activity. With the support of in situ (EXAFS and IR) and ex situ (XPS, Raman) spectroscopic techniques, the optimum presence of the Pd-In-O interface has been identified as a crucial parameter for enhancing eCO(2)RR toward CO in a reducing atmosphere. The influence of eCO(2)RR duration is reported to affect the overall performance by switching the product selectivity from H-2 (from water reduction) to CO (from eCO(2)RR) on the oxide-derived alloy surface. This work also succeeded in the multifold enhancement of the current density by employing the gas diffusion electrode (GDE) and optimizing its process parameters in a flow cell configuration.

}, keywords = {CO2 reduction, Electrochemistry, heterostructure interface, in situ mechanism, nanocatalyst}, issn = {1936-0851}, doi = {10.1021/acsnano.1c11664}, author = {Bagchi, Debabrata and Sarkar, Shreya and Singh, Ashutosh Kumar and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48360, title = {Preface to special issue on protein-mediated membrane remodeling}, journal = {Journal of Membrane Biology}, volume = {255}, year = {2022}, month = {DEC}, pages = {633-635}, type = {Editorial Material}, issn = {0022-2631}, doi = {10.1007/s00232-022-00273-7}, author = {Chakraborty, Hirak and Sengupta, Durba} } @article {47820, title = {Probes and techniques used in active and the hypoxia-based dormant state of an antitubercular drug screening assay}, journal = {Medicine in Drug Discovery}, volume = {13}, year = {2022}, month = {MAR}, pages = {100115}, type = {Article}, abstract = {Current antitubercular drug therapy requires more than six months and is unable to kill latent or dormant forms of tuberculosis. Thus, it is a need of new drug therapy to fight against dormant tuberculosis. However, the major obstacle in the development of novel drugs for dormant tuberculosis is the lack of relevant screening systems and using reliable probes to measure growth inhibition. Until now, several probes used in active state assays are significantly determining the inhibitory effect against the active state of mycobacteria. The dormant condition assays are based on hypoxia-derived dormancy which include resazurin reduction assay, nitrite reductase assay, XTT reduction menadione assay and low oxygen recovery assay. Major probes used in those assays are colorimetric/fluorescent dyes, enzymatic activity, and reporter genes include luciferase and fluorescent proteins. Although these dormant assays are based on hypoxia-induced features and difficult to maintain for a longer duration. Also, they further complicated by growth detection and pursuit of high throughput screening criteria. Here we reviewed complications of probes and assay techniques used for anti-dormant drug screening programs of tuberculosis. This will provide the knowledge to design better alternative drug screening method for the anti-dormant form of tuberculosis.}, keywords = {Active and dormant states, and, Drug screening assay, Probes, tuberculosis}, issn = {2590-0986}, doi = {10.1016/j.medidd.2021.100115}, author = {Yeware, Amar and Akhtar, Shamim and Sarkar, Dhiman} } @article {48104, title = {Process development for crystalline xylitol production from corncob biomass by Pichia caribbica}, journal = {Food and Bioproducts Processing}, volume = {133}, year = {2022}, month = {MAY}, pages = {45-56}, type = {Article}, abstract = {

Xylitol, a commodity chemical, is widely used in nutraceutical and pharmaceutical formulations. Microbial xylitol production is a promising alternative to mitigate current industrial practice issues and offers an environment-friendly sustainable conversion route. This study demonstrates a bioprocess for xylitol production from corncob using a mesophilic yeast Pichia caribbica. Corncob was hydrolyzed by dilute acid and steam explosion to recover fermentable xylose and used as the feed for xylitol production. Activated carbon treatment (3\% w/v) completely removed the biomass-derived inhibitors furfural and hydroxymethyl furfural from the liquid hydrolysate. The fermenting yeast Pichia caribbica produced 124.1 +/- 0.45 g/L xylitol from the detoxified and concentrated corncob hydrolysate with a high yield of 0.80 +/- 0.02 g/g. The crystallized xylitol with 96.5\% purity demonstrated no harmful effects on the cell line used as a control for the in-vitro toxicity studies. This proof of concept can be applied to help scale up for bio-refinery-based large-scale production of xylitol from corncob biomass.(c) 2022 Institution of Chemical Engineers. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Biomass, Corncob, Detoxification, Fermentation, Toxicity analysis, xylitol}, issn = {0960-3085}, doi = {10.1016/j.fbp.2022.02.006}, author = {Dasgupta, Diptarka and Sidana, Arushdeep and Sarkar, Bipul and More, Snehal and Ghosh, Debashish and Bhaskar, Thallada and Ray, Anjan} } @article {47762, title = {Process development for detoxification of corncob hydrolysate using activated charcoal for xylitol production}, journal = {Journal of Environmental Chemical Engineering}, volume = {10}, year = {2022}, month = {FEB}, pages = {107097}, type = {Article}, abstract = {The work describes process development for detoxification of corncob hydrolysate using activated carbon for microbial xylitol production. Activated carbon was used as an adsorbent to completely remove the major fermentation inhibitors obtained during dilute acid and steam explosion of biomass. A xylitol yield of 0.78 g/g was achieved from the detoxified hydrolysate in a 5 L fermenter by Pichia caribbica. The spent carbon was effectively regenerated and used for three consecutive cycles of operation. The successive regeneration and reuse of carbon could reduce the operational cost by similar to 38\% and be used as a reference dataset for process scale-up and cost-effective xylitol production.}, keywords = {Activated charcoal, Detoxification, Fermentation, Regeneration, xylitol}, issn = {2213-2929}, doi = {10.1016/j.jece.2021.107097}, author = {Ahuja, Vishal and Kshirsagar, Siddheshwar and Ghosh, Prasenjit and Sarkar, Bipul and Sutar, Ajit and More, Snehal and Dasgupta, Diptarka} } @article {48375, title = {Profiling of metabolic alterations in mice infected with malaria parasites via high-resolution metabolomics}, journal = {Molecular and Biochemical Parasitology}, volume = {252}, year = {2022}, month = {NOV}, pages = {111525}, type = {Article}, abstract = {

Background: Malaria infection can result in distinct clinical outcomes from asymptomatic to severe. The association between patho-physiological changes and molecular changes in the host, and their correlation with severity of malaria progression is not fully understood. Methods: In this study, we addressed mass spectrometry-based temporal profiling of serum metabolite levels from mice infected with Plasmodium berhgei (strain ANKA). Results: We show global perturbations and identify changes in specific metabolites in correlation with disease progression. While metabolome-wide changes were apparent in late-stage malaria, a subset of metabolites exhibited highly correlated changes with disease progression. These metabolites changed early on following infection and either continued or maintained the change as mice developed severe disease. Some of these have the potential to be sentinel metabolites for severe malaria. Moreover, glycolytic metabolites, purine nucleotide precursors, tryptophan and its bioactive derivatives were many fold decreased in late-stage disease. Interestingly, uric acid, a metabolic waste reported to be elevated in severe human malaria, increased with disease progression, and subsequently appears to be detoxified into allantoin. This detoxification mechanism is absent in humans as they lack the enzyme uricase. Conclusions: We have identified candidate marker metabolites that may be of relevance in the context of human malaria.

}, keywords = {Host response, Infectious diseases, malaria, metabolite, Plasmodium}, issn = {0166-6851}, doi = {10.1016/j.molbiopara.2022.111525}, author = {Chhibber-Goel, Jyoti and Shukla, Anurag and Shanmugam, Dhanasekaran and Sharma, Amit} } @article {47750, title = {Progress and potential of electrospinning-derived substrate-free and binder-free lithium-ion battery electrodes}, journal = {Chemical Engineering Journal}, volume = {430}, year = {2022}, month = {FEB }, pages = {132876}, type = {Review}, abstract = {Carbon nanofibers derived from electrospun precursors show great promise for electronic applications owing to their flexibility, conductivity, high surface area, and open structure. The integration of metal oxides and sulfides in carbon nanofibers, rather than using them with other binders, eliminates many problems caused by poor adhesion, nanomaterial agglomeration, excess mass contributed by inactive binders, and low conductivity of embedded active materials. The engineering of electrospun fibers with novel morphologies, such as core-shell, hollow, or porous structures, and the use of decorated carbon nanofibers (e.g., by electrodeposition or co precipitation) are discussed in this review. Representative schematic illustrations of the lithium-storage mechanism for these binder-free electrodes are presented. We describe how the electrospinning technique can offer a cost-effective strategy for fabrication of lightweight lithium-ion batteries with high capacity and excellent bendability. This review presents the fascinating morphologies of these specially designed carbon nanofiber electrodes, which enhance the electrochemical performance of metal oxides and sulfides, illustrating their enormous potential for use in wearable electronic devices and hybrid electric vehicles.}, keywords = {Carbon nanofibers, Co-axial, composites, core-shell, electrospinning, Flexible}, issn = {1385-8947}, doi = {10.1016/j.cej.2021.132876}, author = {Joshi, Bhavana and Samuel, Edmund and Kim, Yong-il and Yarin, Alexander L. and Swihart, Mark T. and Yoon, Sam S.} } @article {48182, title = {Protophilic solvent-impelled quasi-catalytic CO2 valorization to formic acid and N-formamides}, journal = {Fuel}, volume = {326}, year = {2022}, month = {OCT}, pages = {125074}, type = {Article}, abstract = {

As a low-price and luxuriant C1 sustainable resource, CO2 has the privilege of synthesizing hydrogen carriers and valuable chemicals. However, expensive metallic and organic catalysts are often indispensable for going on wheels of the relevant reaction processes. In this work, a protophilic solvent-impelled quasi-catalytic system was developed for efficient synthesis of formic acid and various N-formamides with high yields of 76-94\% via reductive CO2 functionalization under mild reaction conditions (50 ?). Direct activation of the liquid hydrosilane toward the reduction of CO2 enabled by DMSO with optimum basicity/protophilicity is the predominant reaction route among the examined interaction models, while carbonic acid potentially derived from excessive CO2 and residual water inhibits the reaction, as explicitly disclosed by theoretical calculations and isotope labeling experiments. In addition, the in situ formed O-formyl species is conductive to the cascade CO2 reduction steps, which remarkably facilitated the overall quasi-catalytic upgrading process.

}, keywords = {CO2 utilization, Formic acid, Green energy, Nitrogenous chemicals, Quasi-catalysis}, issn = {0016-2361}, doi = {10.1016/j.fuel.2022.125074}, author = {Wu, Hongguo and Li, Hu and Zhao, Wenfeng and Sudarsanam, Putla and Yang, Song} } @article {48201, title = {Pseudo-boehmite AlOOH supported NGr composite-based air electrode for mechanically rechargeable Zn-air battery applications}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {MAY}, pages = {10014-10025}, type = {Article}, abstract = {

Both mechanically and electrically rechargeable zinc-air batteries (ZABs) have received much interest due to their high energy density and suitability for mobile and stationary applications. However, their commercialization has been impeded by the lack of robust, low-cost and environmentally benign catalyst materials that can be easily scaled up. In this context, the present work introduces a new type of transition metal-free catalytic material (AlOOH/NGr) by anchoring the pseudo-boehmite phase of aluminium oxyhydroxide (AlOOH) nanosheets over nitrogen-doped graphene (NGr) via a single-step and straightforward hydrothermal process. Furthermore, density functional theory (DFT) based computation demonstrates that the nucleation of AlOOH starts from the N-sites and points towards the strong surface interaction between AlOOH and NGr via doped nitrogen. AlOOH/NGr consisting of thin layered pseudo-boehmite sheets uniformly distributed over NGr has displayed an oxygen reduction reaction onset potential of 0.83 V and a half-wave potential of 0.72 V, along with good catalytic durability in alkaline medium. With this, AlOOH/NGr, when used as an air electrode for fabricating a primary Zn-air battery, the system has exhibited an open circuit voltage of similar to 1.27 V with a flat discharge profile at a current rate of 10 mA cm(-2). The fabricated system delivered a specific capacity of similar to 720 mA h g(-1) and a high power density of 204 mW cm(-2) and is comparable to the counterpart system based on the state-of-the-art Pt/C (20 wt\% Pt) cathode. Additionally, the homemade battery was able to maintain its performance after 4 times of mechanical recharging of the battery, which lasted for more than 35 h at a discharge current density of 10 mA cm(-2). Thus, we have uncovered the potential of an earth-abundant metal-based catalytic system for fabricating and demonstrating a robust mechanically rechargeable zinc-air battery.

}, issn = {2050-7488}, doi = {10.1039/d2ta00546h}, author = {Kharabe, Geeta Pandurang and Manna, Narugopal and Nadeema, Ayasha and Singh, Santosh K. and Mehta, Shweta and Nair, Aathira and Joshi, Kavita and Kurungot, Sreekumar} } @article {48143, title = {Ready access to densely substituted furans using Tsuji-Wacker type cyclization}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {JAN }, pages = {556-568}, type = {Article}, abstract = {

A competent method for the construction of highly substituted furans catalyzed by Pd(II) and Cu(II) chloride has been developed. The method provides easy access to di-, tri-, and tetrasubstituted furans from corresponding diols with relatively mild conditions in a unified strategy. The developed method has been successfully tested with more than 25 substrates, which resulted in furans of multiple substitution patterns with up to 84\% isolated yields.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c02567}, author = {Masal, Dattatraya P. and Choudhury, Rahul and Singh, Aman and Reddy, D. Srinivasa} } @article {48091, title = {Reference quality genome sequence of Indian pomegranate cv. {\textquoteleft}Bhagawa{\textquoteright} (Punica granatum L.)}, journal = {Frontiers in Plant Science}, volume = {13}, year = {2022}, month = {SEP}, pages = {947164}, type = {Article}, abstract = {

Pomegranate is an important fruit crop for ensuring livelihood and nutrition security in fragile semi-arid regions of the globe having limited irrigation resources. This is a high-value, nutritionally rich, and export-oriented agri-commodity that ensures high returns on investment to growers across the world. Although it is a valuable fruit crop, it has received only a limited genomics research outcome. To fast-track the pomegranate improvement program, de novo whole-genome sequencing of the main Indian cultivar {\textquoteleft}Bhagawa{\textquoteright} was initiated by the Indian Council of Agricultural Research-National Research Center on Pomegranate (ICAR-NRCP). We have demonstrated that a combination of commercially available technologies from Illumina, PacBio, 10X Genomics, and BioNano Genomics could be used efficiently for sequencing and reference-grade de novo assembly of the pomegranate genome. The research led to a final reference-quality genome assembly for {\textquoteleft}Bhagawa{\textquoteright} of 346.08 Mb in 342 scaffolds and an average N50 of 16.12 Mb and N90 of 1088.62 Kb. This assembly covered more than 98\% of the estimated pomegranate genome size, 352.54 Mb. The LTR assembly index (LAI) value of 10 and 93.68\% Benchmarking Universal Single-Copy Orthologs (BUSCO) completeness score over the 1,440 ortholog genes of the completed pomegranate genome indicates the quality of the assembled pomegranate genome. Furthermore, 29,435 gene models were discovered with a mean transcript length of 2,954 bp and a mean coding sequence length 1,090 bp. Four transcript data samples of pomegranate tissues were mapped over the assembled {\textquoteleft}Bhagawa{\textquoteright} genome up to 95\% significant matches, indicating the high quality of the assembled genome. We have compared the {\textquoteleft}Bhagawa{\textquoteright} genome with the genomes of the pomegranate cultivars {\textquoteleft}Dabenzi{\textquoteright} and {\textquoteleft}Taishanhong.{\textquoteright} We have also performed whole-genome phylogenetic analysis using Computational Analysis of Gene Family Evolution (CAFE) and found that Eucalyptus grandis and pomegranate diverged 64 (60-70) million years ago. About 1,573 protein-coding resistance genes identified in the {\textquoteleft}Bhagawa{\textquoteright} genome were classified into 32 domains. In all, 314 copies of miRNA belonging to 26 different families were identified in the {\textquoteleft}Bhagawa{\textquoteright} genome. The reference-quality genome assembly of {\textquoteleft}Bhagawa{\textquoteright} is certainly a significant genomic resource for accelerated pomegranate improvement.

}, keywords = {genome sequencing, hybrid genome assembly, Long Terminal Repeats Assembly Index (LAI), PacBio, pomegranate}, issn = {1664-462X}, doi = {10.3389/fpls.2022.947164}, author = {Roopa Sowjanya, P. and Shilpa, Parashuram and Patil, Goudappa Prakash and Babu, Dhinesh Karuppannan and Sharma, Jyotsana and Sangnure, Vipul R. and Mundewadikar, Dhananjay M. and Natarajan, Purushothaman and Marathe, Arvind Rajiv and Reddy, Umesh K. and Singh, Vikram Nripendra} } @article {47769, title = {Regioselectivity in metalloradical catalyzed C-H bond activation: a theoretical study}, journal = {Journal of Organometallic Chemistry}, volume = {957}, year = {2022}, month = {JAN }, pages = {122179}, type = {Article}, abstract = {Pure quantum mechanical calculations were performed to find out the origin of regioselectivity under the metalloradical catalysis (MRC) by Co(II)-porphyrin, which showed regioselectivity is the inherent property of the aminyl radical generated from the sulfamoyl azide substrate. Different conformational analysis for the transition state from alpha-Co-III-aminyl radical to zeta-Co-III-alkyl radical formation have been studied to find out the most stable conformation for the preferable selectivity. The outcome of our study completely agrees with the reported experimental results. (C) 2021 Elsevier B.V. All rights reserved.}, keywords = {C-H activation, DFT, Metalloporphyrin, Metalloradical, Regioselectivity}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2021.122179}, author = {Mukherjee, Anirban and Singh, Ritesh and Mane, Kishor D. and Das, Gourab Kanti} } @article {48100, title = {Research progress and perspective on lithium/sodium metal anodes for next-generation rechargeable batteries}, journal = {ChemSusChem}, volume = {15}, year = {2022}, month = {JUL}, pages = {e202200504}, type = {Review}, abstract = {

With the development of consumer electronic devices and electric vehicles, lithium-ion batteries (LIBs) are vital components for high energy storage with great impact on our modern life. However, LIBs still cannot meet all the essential demands of rapidly growing new industries. In pursuance of higher energy requirement, metal batteries (MBs) are the next-generation high-energy-density devices. Li/Na metals are considered as an ideal anode for high-energy batteries due to extremely high theoretical specific capacity (3860 and 1165 mAh g(-1) for Li and Na, respectively) and low electrochemical potential (-3.04 V for Li and -2.71 V for Na vs. standard hydrogen electrode). Unfortunately, uncontrolled dendrite growth, high reactivity, and infinite volume change induce severe safety concerns and poor cycle efficiency during their application. Consequently, MBs are far from commercialization stage. This Review represents a comprehensive overview of failure mechanism of lithium/sodium metal anode and its progress for rechargeable batteries through (i) electrolyte optimization, (ii) artificial solid-electrolyte interphase (SEI) layer formation, and (iii) nanoengineering at materials level in current collector, anode, and host. The challenges in current MBs research and potential applications of lithium/sodium metal anodes are also outlined and summarized.

}, keywords = {anode, Batteries, dendrite growth, Electrolytes, Energy storage}, issn = {1864-5631}, doi = {10.1002/cssc.202200504}, author = {Patrike, Apurva and Yadav, Poonam and Shelke, Vilas and Shelke, Manjusha} } @article {48226, title = {Review of recent progress in electrospinning-derived freestanding and binder-free electrodes for supercapacitors}, journal = {Coordination Chemistry Reviews}, volume = {460}, year = {2022}, month = {JUN }, pages = {214466}, type = {Review}, abstract = {

The versatile electrospinning technique is scalable and suitable to fabricate highly conducting freestanding carbon nanofiber composite electrodes for energy storage devices. Freestanding/flexible electrodes hold enormous potential for use in wearable electronic devices. Carbon-yielding polymers and the optimal use of sacrificial polymers, metal oxides, and sulfides retain the flexibility and enhance the surface area and pseudocapacitance of electrodes. Both as-prepared electrospun fibers and carbonized nanofibers are compatible with surface decoration via various chemical and electrochemical routes. Metal oxides/sulfides with various morphologies, such as nanocones and nanosheets, can be grown on the carbon nanofibers or on the as-prepared electrospun fibers using chemical synthesis methods such as electro-deposition, hydrothermal processes, and chemical impregnation to enhance the pseudocapacitance of the electrodes. Similarly, the deposition of metal organic frameworks on as-prepared electrospun fibers embellishes these fibers with nanostructures of specific morphologies such as dodecahedral and spindle-shaped structures. Under optimal conditions, these morphologies do not hamper the flexibility of the fibers, and binders are not required to retain them or maintain the electrode integrity. The engineering of electrodes with various morphologies and process parameters is presented systematically. Electrospinning-derived electrodes that have demonstrated significant electrochemical performance are highlighted and critically analyzed, and the energy storage mechanisms of these supercapacitors are described in detail. (C) 2022 Elsevier B.V. All rights reserved.

}, keywords = {Carbon nanofibers, Co-axial, composites, core-shell, electrospinning, Flexible, Porous, supercapacitor}, issn = {0010-8545}, doi = {10.1016/j.ccr.2022.214466}, author = {Joshi, Bhavana and Samuel, Edmund and Kim, Yong-il and Yarin, Alexander L. and Swihart, Mark T. and Yoon, Sam S.} } @article {48103, title = {Review on computational analysis of big data in breast cancer for predicting potential biomarkers}, journal = {Current Topics in Medicinal Chemistry}, volume = {22}, year = {2022}, month = {SEP}, pages = {1793-1810}, type = {Review}, abstract = {

Breast cancer is the most predominantly occurring cancer in the world. Several genes and proteins have been recently studied to predict biomarkers that enable early disease identification and monitor its recurrence. In the era of high-throughput technology, studies show several applications of big data for identifying potential biomarkers. The review aims to provide a comprehensive overview of big data analysis in breast cancer towards the prediction of biomarkers with emphasis on computational methods like text mining, network analysis, next-generation sequencing technology (NGS), machine learning (ML), deep learning (DL), and precision medicine. Integrating data from various computational approaches enables the stratification of cancer patients and the identification of molecular signatures in cancer and their subtypes. The computational methods and statistical analysis help expedite cancer prognosis and develop precision cancer medicine (PCM). As a part of case study in the present work, we constructed a large gene-drug interaction network to predict new biomarkers genes. The gene-drug network helped us to identify eight genes that could serve as novel potential biomarkers.

}, keywords = {Big data, Biomarkers, Breast cancer, Driver genes, Network analysis, text mining}, issn = {1568-0266}, doi = {10.2174/1568026622666220907121942}, author = {Shaikh, Nilofer and Bapat, Sanket and Karthikeyan, Muthukumarasamy and Vyas, Renu} } @article {48216, title = {Role of 2D material families in energy harvesting: an editorial overview}, journal = {Journal of Materials Research}, volume = {37}, year = {2022}, month = {NOV }, pages = {3857-3864}, type = {Article}, abstract = {

The ever increasing proportion of an energy consuming society and the boost in industrialization accelerated the depletion of fossil fuel based energy sources at an alarming rate. This emphasizes the necessity of sustainable energy generation and storage to meet the daily energy demands. But, these alternative renewable energy sources like solar and wind power are intermittent and highly depend on weather, place and individuals. This creates the inevitability of suitable energy storage devices like batteries and supercapacitors. The interfacing of energy storing devices is required to maintain the supply chain equilibrium, power efficiency, regulate power fluctuations and reduce pollution. Besides, the boom in electric mobility and consumer electronics also require uninterrupted power supply. Hence, in the upcoming years the energy storing devices play a vital role in addressing the energy crisis. Innovations in new materials and technologies will be the core area of research and development in the coming future. 2D materials like graphene,transition metal carbides and nitrides (MXenes), transition metal borides (MBenes) and so on are the new class of materials among them MXenes are getting more attention in energy storage owing to its exceptional properties.

}, issn = {0884-2914}, doi = {10.1557/s43578-022-00721-z}, author = {Raghavan, Prasanth and Ahn, Jou-Hyeon and Shelke, Manjusha} } @article {48102, title = {Room temperature chemoselective hydrogenation of C=C, C=O and C=N bonds by using a well-defined mixed donor Mn(I) pincer catalyst}, journal = {Chemical Science}, volume = {13}, year = {2022}, month = {NOV }, pages = {13764-13773}, type = {Article}, abstract = {

Chemoselective hydrogenation of C=C, C=O and C=N bonds in alpha,beta-unsaturated ketones, aldehydes and imines is accomplished at room temperature (27 degrees C) using a well-defined Mn(I) catalyst and 5.0 bar H-2. Amongst the three mixed-donor Mn(I) complexes developed, kappa(3)-((PNNPyz)-P-R2-N-3)Mn(CO)(2)Br (R = Ph, Pr-i, Bu-t); the Bu-t -substituted complex ((PNNPyz)-P-tBu2-N-3)Mn(CO)(2)Br shows exceptional chemoselective catalytic reduction of unsaturated bonds. This hydrogenation protocol tolerates a range of highly susceptible functionalities, such as halides (-F, -Cl, -Br, and -I), alkoxy and hydroxy, including hydrogen-sensitive moieties like acetyl, nitrile, nitro, epoxide, and unconjugated alkenyl and alkynyl groups. Additionally, the disclosed method applies to indole, pyrrole, furan, thiophene, and pyridine-containing unsaturated ketones leading to the corresponding saturated ketones. The C=C bond is chemoselectively hydrogenated in alpha,beta-unsaturated ketones, while the aldehyde{\textquoteright}s C=O bond and imine{\textquoteright}s C=N bond are preferentially reduced over the C=C bond. A detailed mechanistic study highlighted the non-innocent behavior of the ligand in the ((PNNPyz)-P-tBu2-N-3) Mn(I) complex and indicated a metal-ligand cooperative catalytic pathway. The molecular hydrogen (H-2) acts as a hydride source, whereas MeOH provides a proton for hydrogenation. DFT energy calculations supported the facile progress of most catalytic steps, involving a crucial turnover-limiting H-2 activation.

}, issn = {2041-6520}, doi = {10.1039/d2sc05274a}, author = {Shabade, Anand B. and Sharma, Dipesh M. and Bajpai, Priyam and Gonnade, Rajesh G. and Vanka, Kumar and Punji, Benudhar} } @article {48118, title = {Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts}, journal = {Catalysis Science \& Technology}, volume = {12}, year = {2022}, month = {MAR }, pages = {1843-1849}, type = {Article}, abstract = {

Hemilabile and phosphine-free quinolinyl-based NNN-type pincer and non-pincer cobalt complexes were developed for the room temperature catalytic transfer semi-hydrogenation of alkynes to Z-alkenes. Treatment of the quinolinyl-amine ligand, [C9H6N(NH)CH2CH2NEt2] ((NNN2NEt2)-N-Q-N-CH)-H with CoX2 afforded the pincer complexes kappa(3)-((NNN2NEt2)-N-Q-N-CH)CoX2 (X = Cl, Br), whereas, the quinolinyl-amide ligand, [C9H6N(NH)C(O)CH2NEt2] ((NNNNEt2)-N-Q-N-C(O))-H gave chelate anionic complexes kappa(2)-((NN)-N-Q)CoX2((NHNEt2)-H-C(O)) (X = Cl, Br). The well-defined anionic non-pincer cobalt complexes efficiently catalyzed the semi-hydrogenation of diverse alkynes to deliver highly chemoselective and stereodivergent Z-alkenes at room temperature. This hydrogenation exhibited broad substrate scope with the tolerance of sensitive functional groups, such as -Cl, -Br, -I, -OH, -NH2, -COOMe, and pyridinyl, employing a stable and user-friendly ammonia borane hydrogen source.

}, issn = {2044-4753}, doi = {10.1039/d2cy00027j}, author = {Sharma, Dipesh M. and Gouda, Chandrakant and Gonnade, Rajesh G. and Punji, Benudhar} } @article {48163, title = {Ru, Pd doped WO3 nanomaterials: a synergistic effect of noble metals to enhance the acetone response properties}, journal = {Ceramics International}, volume = {48}, year = {2022}, month = {JUN}, pages = {17923-17933}, type = {Article}, abstract = {

Noble metals (NMs) have an enormous impact on the intrinsic properties of the metal oxides. We report the synergistic effect of Ruthenium (Ru) and Palladium (Pd) noble metals on the enhancement of gas sensing properties of pure tungsten oxide (WO3). The gas sensing material is synthesized by simple and straight forward precipitation route, and its physico-chemical analyses are determined using XRD, FESEM, TEM/HRTEM, FFT, UV-Vis, XPS, EDAX, and BET measurements. Use of the developed material as a gas sensor is evaluated using several target gases (oxidizing as well as reducing), with acetone showing the best selectivity. The noble metal doping and hence catalytic action improved the gas response qualities. The synergistic effect of Ru and Pd on WO3 gas response properties are identified, where the effect is 99.80\% sensitivity, and lower response/recovery time (10 s and 2 min) at 300 degrees C operating temperature. Nonetheless, the sensors displayed better gas sensing properties even at lower operating temperatures ranging from 200 to 275 degrees C. In addition, the synergistic effect has displayed the dramatic enhancement in the sensitivity to 76.44\% at barely 10 ppm acetone concentration. This particular result will undoubtedly be helpful for diagnostic purpose of diabetic patients, and a strong candidate for prospective gas sensing applications, particularly acetone.

}, keywords = {Acetone vapours, Precipitation route, Ru -Pd doping, synergistic effect, WO3}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2022.03.065}, author = {Kodam, Pavan M. and Ghadage, Pandurang A. and Nadargi, Digambar Y. and Shinde, K. P. and Mulla, Imtiaz S. and Park, J. S. and Suryavanshi, Sharad S.} } @article {48344, title = {Scalable mechanochemical synthesis of beta-ketoenamine-linked covalent organic frameworks for methane storage}, journal = {Chemistry-An Asian Journal}, volume = {17}, year = {2022}, month = {DEC}, type = {Article}, abstract = {

In the current scenario of increased pollution and releasing toxic gases by burning petroleum products, switching to natural gas is more promising for reducing CO2 emissions and air pollutants. Hence, research on Liquefied Natural Gas and Compressed Natural Gas is gaining more value. However, natural gas primarily consists of CH4, which has less energy density than conventional fuels. Interestingly, since the C-H ratio of CH4 gas is 1 : 4, it is easily combustible, gives less carbon footprint, and reduces unburnt hydrocarbon pollution. Hence, research on storing and transporting CH4 has utmost importance, and porous materials are one of the suitable candidates for storing CH4. Herein we report the scalable synthesis of highly porous and crystalline covalent organic frameworks for storing CH4 at room temperature and pressure. Two COFs, namely, Tp-Azo and Tp-Azo-BD(Me)(2), synthesized in 1 kg at similar to 45 g batch scale using a Planetary mixer, displayed a maximum BET surface area of around 3345 m(2)/g, and 2342 m(2)/g and CH4 storage of 174.10 cc/cc and 151 cc/cc, respectively. A comparison of the CH4 sorption of Tp-Azo and Tp-Azo-BD(Me)(2) COFs synthesized in different batches has a variation of only +/- 5 cc/cc and shows the consistency in bulk scale synthesis of COFs. The cyclic equilibrium CH4 adsorption studies showed the COFs are stable with consistent CH4 adsorption and desorption cycles. The present study is a step towards the scalable mechanochemical synthesis of COFs for gas storage applications.

}, keywords = {CH4 storage, COF, porous material, scalable synthesis}, issn = {1861-4728}, doi = {10.1002/asia.202201012}, author = {Asokan, Kiran and Patil, Manoj Krishnat and Mukherjee, Shatabdi Porel and Sukumaran, Santhosh Babu and Nandakumar, T.} } @article {48219, title = {Scan-find-scan-model: discrete site-targeted suppressor design strategy for amyloid-beta}, journal = {ACS Chemical Neuroscience}, volume = {13}, year = {2022}, month = {JUL}, pages = {2191-2208}, type = {Article}, abstract = {

Alzheimer{\textquoteright}s disease is undoubtedly the most well-studied ranks at the top in terms of getting attention from the scientific community for structural property-based characterization. Even after decades of extensive research, there is existing volatility in terms of understanding and hence the effective tackling procedures against the disease that arises due to the lack of knowledge of both specific targetand site-specific drugs. Here, we develop a multidimensional approach based on the characterization of the common static-dynamic-thermodynamic trait of the monomeric protein, which efficiently identifies a small target sequence that contains an inherent tendency to misfold and consequently aggregate. The robustness of the identification of the target sequence comes with an abundance of a priori knowledge about the length and sequence of the target and hence guides toward effective designing of the target-specific drug with a very low probability of bottleneck and failure. Based on the target sequence information, we further identified a specific mutant that showed the maximum potential to act as a destabilizer of the monomeric protein as well as enormous success as an aggregation suppressor. We eventually tested the drug efficacy by estimating the extent of modulation of binding affinity existing within the fibrillar form of the A beta protein due to a single-point mutation and hence provided a proof of concept of the entire protocol.

}, keywords = {configurational misfoldability, drug developability, inherent frustration, potential aggregability, sequence-based mutability, target specificity}, issn = {1948-7193}, doi = {10.1021/acschemneuro.2c00272}, author = {Bhagavatula, Hasathi and Sarkar, Archishman and Santra, Binit and Das, Atanu} } @article {47731, title = {Selective production of C9 monomeric phenols via hydrogenolysis of lignin using Pd-(W/Zr/Mo oxides)-supported on biochar catalyst}, journal = {Fuel}, volume = {308}, year = {2022}, month = {JAN }, pages = {121818}, type = {Article}, abstract = {Valorizing lignin to phenolic monomers and fine chemicals is an essential component of a sustainable biorefinery that uses lignocellulosic feedstocks. In this study, Pd-metal oxides (ZrO2, WOx, MoO3) supported on activated biochar (ABC) catalysts were developed for hydrogenolysis of lignin. The metals (2\% Pd, 5\% Zr, 5\% W, 5\% Mo) were supported on activated biochar using the wetness impregnation method, and the catalysts were extensively characterized. The effect of addition of secondary metals on active surface properties such as acidity, Pd metal particle size and dispersion were also evaluated. The selectivity to C9 monomeric phenols followed the trend: 2Pd-5Mo/ABC (57.3\%) > 2Pd-5Zr/ABC (49.2\%) > 2Pd-5W/ABC (45\%) > 2Pd/ABC (42.9\%). The maximum C9 phenolic monomer yield achieved in this study was similar to 22 wt\%. The fractional conversion of lignin was 67-69\% with Pd-metal oxide catalysts. The presence of Mo in the catalyst inhibited the hydrogenation of aliphatic C-alpha = C-beta in lignin and led to the formation of t-isoeugenol, while the presence of W and Zr resulted in selective formation of the hydrogenated product, propyl guaiacol. Using model compounds, it is proved that the formation of propyl guaiacol is via hydrogenation of t-isoeugenol, and not through dehydroxylation of propanol guaiacol. The dehydroxylation activity of the catalysts is attributed to the higher Lewis acidity and electropositive nature of the metals. A notable carbon atom economy of 47-50\% towards total phenolic monomers was achieved with 2Pd/ABC, 2Pd-5Mo/ABC and 2Pd-5Zr/ABC catalysts.}, keywords = {Activated biochar, Guaiacol, Hydrogenolysis, lignin, Metal oxides, Palladium}, issn = {0016-2361}, doi = {10.1016/j.fuel.2021.121818}, author = {Gurrala, Lakshmiprasad and Kumar, M. Midhun and Sharma, Shweta and Paek, Changyub and Vinu, R.} } @article {48004, title = {Shape-controlled nanostructured MoO3/CeO2 catalysts for selective cyclohexene epoxidation}, journal = {Catalysis Communications}, volume = {164}, year = {2022}, month = {APR}, pages = {106433}, type = {Article}, abstract = {

This study reported a vital role of CeO2 shape on the structure-activity properties of MoOx/CeO2 catalysts for cyclohexene epoxidation. Uniform dispersion of MoOx on the surface of shape-controlled CeO2 nanocubes (average particle size: 23.5 nm) and nanorods (average width: 6.3 nm and length: 15-95 nm) was found in MoOx/CeO2 nanomaterials. The MoOx/CeO2 nanocubes showed higher epoxide selectivity (97.3\%) with 98.9\% cyclohexene conversion, although it has lower BET surface area (30.2 m(2)/g) compared with MoOx/CeO2 nanorods (72.8 m(2)/g). The presence of more electropositive Mo6+ species and the strong Mo-Ce interaction led to improved catalytic efficacy of MoOx/CeO2 nanocubes in cyclohexene epoxidation.

}, keywords = {CeO2 nanocubes, CeO2 shapes, Nanosized MoOx/CeO2 catalyst, Selective epoxidation, Structure-activity properties}, issn = {1566-7367}, doi = {10.1016/j.catcom.2022.106433}, author = {Sudarsanam, Putla and Singh, Nittan and Kalbande, Pavan Narayan} } @article {48079, title = {Silk fibroin microparticle scaffold for use in bone void filling: safety and efficacy studies}, journal = {ACS Biomaterials Science \& Engineering}, volume = {8}, year = {2022}, month = {MAR}, pages = {1226-1238}, type = {Article}, abstract = {

Silk fibroin (SF) is a natural biocompatible protein polymer extracted from cocoons of silkworm Bombyx mori. SF can be processed into a variety of different forms and shapes that can be used as scaffolds to support bone regeneration. Threedimensional (3D) SF scaffolds have shown promise in bone-void -filling applications. In in vitro studies, it has been demonstrated that a microparticle-based SF (M-RSF) scaffold promotes the differentiation of stem cells into an osteoblastic lineage. The expression of differentiation markers was also significantly higher for M-RSF scaffolds as compared to other SF scaffolds and commercial ceramic scaffolds. In this work, we have evaluated the in vitro and in vivo biocompatibility of M-RSF scaffolds as per the ISO 10993 guidelines in a Good Laboratory Practice (GLP)-certified facility. The cytotoxicity, immunogenicity, genotoxicity, systemic toxicity, and implantation studies confirmed that the M-RSF scaffold is biocompatible. Further, the performance of the MRSF scaffold to support bone formation was evaluated in in vivo bone implantation studies in a rabbit model. Calcium sulfate (CaSO4) scaffolds were chosen as reference material for this study as they are one of the preferred materials for bone-void -filling applications. M-RSF scaffold implantation sites showed a higher number of osteoblast and osteoclast cells as compared to CaSO4 implantation sites indicating active bone remodeling. The number density of osteocytes was double for M-RSF scaffold implantation sites, and these M-RSF scaffold implantation sites were characterized by enhanced collagen deposition, pointing toward a finer quality of the new bone formed. Moreover, the M-RSF scaffold implantation sites had a negligible incidence of secondary fractures as compared to the CaSO4 implantation sites (similar to 50\% sites with secondary fracture), implying a reduction in postsurgical complications. Thus, the study demonstrates that the M-RSF scaffold is nontoxic for bone-void -filling applications and facilitates superior healing of fracture defects as compared to commercial calcium-based bone void fillers.

}, keywords = {Biocompatibility, biological safety, bone void filler, ISO 10993, M-RSF, Serioss, Silk fibroin}, issn = {2373-9878}, doi = {10.1021/acsbiomaterials.1c01103}, author = {Deshpande, Rucha and Shukla, Swati and Kale, Amod and Deshmukh, Narendra and Nisal, Anuya and Venugopalan, Premnath} } @article {48405, title = {Silver dependent enantiodivergent gold(i) catalysed asymmetric intramolecular hydroamination of alkenes: a theoretical study}, journal = {Catalysts}, volume = {12}, year = {2022}, month = {NOV}, pages = {1392}, type = {Article}, abstract = {

We report a theoretical study of the first silver-dependent enantiodivergent gold-catalysed reaction. The combination of a single chiral binuclear gold(I) chloride complex and silver perchlorate catalyses the asymmetric intramolecular hydroamination of alkenes and affords both enantiomers of the products by applying a simple solvent change from toluene to methanol. A gold-silver chloride adduct that occurs only in methanol appears to control the enantioinversion. If one gold atom coordinates and activates the alkene moiety, the other gold is included in an adduct with silver chloride, which coordinates a methanol solvent molecule and further interacts with the amine function. If the use of toluene implies free anions and affords (S)-enantiomer, methanol allows a proximal interaction with the amine, leads to an opposite stereodifferentiation of the two diastereomeric intermediates during the final protodeauration step and results in the (R)-enantiomer.

}, keywords = {alkene, enantiodivergent catalysis, Gold, hydroamination, Silver}, doi = {10.3390/catal12111392}, author = {Dixit, Ruchi and Sharma, Himanshu and Agbossou-Niedercorn, Francine and Vanka, Kumar and Michon, Christophe} } @article {47998, title = {Single-step insertion of M-Nx moieties in commercial carbon for sustainable bifunctional electrocatalysis: mapping insertion capacity, mass loss, and carbon reconstruction}, journal = {Carbon}, volume = {196}, year = {2022}, month = {AUG}, pages = {1001-1011}, type = {Article}, abstract = {

Atomically dispersed earth-abundant metals in N-doped carbon (M-N-Cs) have emerged as a new class of electroactive materials that can match not only the performance of the precious metals but can catalyze both the cathodic and the anodic reactions due to their bifunctional behaviour. This inspires the development of simpler strategies for scale-up production since the existing ones rely on precursors whose commercial viability is not yet ascertained. Herein, we demonstrate the insertion prospects of M-Nx (M = Fe, Co, Ni) moieties, the electrocatalytic centers in the M-N-Cs, into commercial carbon to establish that a single-step heating of the inexpensive precursors is sufficient to generate bifunctional electrocatalysts for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) with efficiencies that bypass the majority of the known catalysts. Further importantly, we quantify both the ORR and OER trends and the metal insertion limits for each metal while maintaining an atomic dispersion, without the formation of surface migration-induced clustering, because such clustering is inevitable in the existing processes to necessitate an extra acid-leaching step to remove them. We further quantify and explain for each metal a negative mass balance originating from anomalous mass loss of both metal and carbon content, and a massive reconstruction of the carbon backbone catalyzed by the very metal, an event documented for the first time though it ought to be associated with other M-N-C syntheses too. The study establishes an incredibly simple and inexpensive strategy for the realization of M-N-Cs and outlines the parameters to be considered during mass-production.

}, keywords = {Bifunctional catalysis, Carbon reconstruction, Commercial carbon, Metal insertion, Oxygen electrocatalysis}, issn = {0008-6223}, doi = {10.1016/j.carbon.2022.06.008}, author = {Garg, Reeya and Sahoo, Lipipuspa and Kaur, Komalpreet and Vinod, C. P. and Gautam, Ujjal K.} } @article {48232, title = {Single-step synthesis of exfoliated Ti3C2Tx MXene through NaBF4/HCl etching as electrode material for asymmetric supercapacitor}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {MAY}, pages = {e202201166}, type = {Article}, abstract = {

Two-dimensional Ti3C2Tx MXene, derived from the parent Ti3AlC2 phase, is considered a promising electrode material for electrochemical energy storage applications. Ti3C2Tx MXene synthesis methods often employ concentrated hydrofluoric acid (HF), which is harsh, corrosive, and hazardous to the environment. Herein, we report the preparation of Ti3C2Tx MXene following a new synthetic route under a mild reaction condition comprising an aqueous solution of NaBF4 and HCl. This etching environment at a moderate temperature of 130 degrees C effectively removes the Al layer of the Ti3AlC2 precursor, assisted by the in situ formed HF in the reaction medium. Electron microscopy images of the as-prepared Ti3C2Tx (MX-130) reveal a partially exfoliated nanosheet-like morphology. The material displays a specific capacitance of 262 F g(-1) (three-electrode assembly, 1 A g(-1), -0.85 to -0.25 V vs. Hg/Hg2SO4) in 1 M H2SO4 electrolyte. The achieved specific capacitance is superior to that of Ti3C2Tx prepared via the common HF-treatment (25 F g(-1)). Additionally, the potential application of the optimized MXene as a negative electrode material is demonstrated in a quasi-solid-state RuO2|MX-130 asymmetric supercapacitor device.

}, keywords = {asymmetric supercapacitor, Electrochemistry, Fluoride salt etchant, Layered electrode materials, Transition metal carbides}, issn = {2365-6549}, doi = {10.1002/slct.202201166}, author = {Ghosh, Meena and Szunerits, Sabine and Cao, Ning and Kurungot, Sreekumar and Boukherroub, Rabah} } @article {48126, title = {Six-membered saturated NHC-stabilized borenium cations: isolation of a cationic analogue of borinic acid}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {AUG}, pages = {12991-12997}, type = {Article}, abstract = {

The reaction of six-membered saturated NHC [1,3-di(2,6-diisopropylphenyl) tetrahydropyrimidine-2-ylidene; henceforth abbreviated as 6-SIDipp] with PhBCl2 yields a Lewis base adduct, 6-SIDipp.PhBCl2 (1), which readily undergoes nucleophilic substitution reaction with AgNO3, leading to the single (2) and double (3) substitution of both chlorides with ONO2 moieties at the boron atom. The reaction of 1 with 1 equiv of AlCl3 resulted in a borenium cation of composition [6-SIDipp.B(Ph)Cl]+ (4) with AlCl4- as the counteranion. Although borenium cations with different substituents on boron have been reported, a structurally characterized phenylchloroborenium cation remains unknown. Similarly, the reaction of 1 with triflic acid provides the first representative of a new class of borenium cations bearing one hydroxyl and one phenyl group on boron (5), a cationic analogue of borinic acid. Ph-BN H Diphenylborinic acid

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c00611}, author = {Kundu, Gargi and Balayan, Kajal and Tothadi, Srinu and Sen, Sakya S.} } @article {48001, title = {Solvent-driven mono- and bis-sulfenylation of (E)-beta-iodovinyl sulfones with thiols for flexible synthesis of 1,2-thiosulfonylalkenes and 1,2-dithioalkenes}, journal = {Journal of Organic Chemistry}, volume = {87}, year = {2022}, month = {MAR}, pages = {3934-3951}, type = {Article}, abstract = {

The nature of solvent is a key factor for stereoselective mono-and bis-thiolation of (E)-beta-iodovinyl sulfones with thiols under basic conditions. A novel and unprecedented vicinal bisthiolation of (E)-beta-iodovinyl sulfones with thiols under the influence of K2CO3/DMSO at room temperature for quick assembly of (E)-1,2-dithio-1-alkenes is presented. Solvent-induced stereoselective monosulfenylation of (E)-beta-iodovinyl sulfones with thiols has also been established for the synthesis of both (E)- and (Z)-1,2-thiosulfonylethenes in MeCN and MeOH, respectively. Moreover, K2CO3-mediated desulfonylative-sulfenylation of (Z)-1,2-thiosulfonylethenes with thiols in DMSO furnished unsymmetrical (Z)-1,2-dithio-1-alkenes for the first time. The solvent-dependent versatile reactivity of (E)-beta-iodovinyl sulfones has been successfully explored to provide a set of (E)-/(Z)-1,2-dithio-1-alkenes and (E)-/(Z)-1,2-thiosulfonyl-1-alkenes in good to high yields with excellent stereoselectivities. Notably, this operationally simple process utilizes a broad substrate scope with good functional group tolerance and compatibility. The efficacy of the process has been proven for gram-scale reactions, and plausible mechanistic models are outlined on the basis of experimental results and control experiments.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.1c02444}, author = {Reddy, Raju Jannapu and Kumari, Arram Haritha and Sharadha, Nunavath and Krishna, Gamidi Rama} } @article {48211, title = {Spinel magnesium ferrite (MgFe2O4): a glycine-assisted colloidal combustion and its potentiality in gas-sensing application}, journal = {Chemosensors}, volume = {10}, year = {2022}, month = {SEP}, pages = {361}, type = {Article}, abstract = {

Herein, we describe the facile synthesis of spinel MgFe2O4 ferrite and its potential use as a gas sensor using a straightforward and reliable sol-gel approach, i.e., the glycine-assisted auto-combustion route. The novelty in obtaining the sensing material via the auto-combustion route is its inherent simplicity and capability to produce the material at an industry scale. The said cost-effective process makes use of simple metal salts (Mg and Fe-nitrates) and glycine in an aqueous solution, which leads to the formation of spinel MgFe2O4 ferrite. A single-phase crystallinity with crystallite sizes ranging between 36 and 41 nm was observed for the synthesized materials using the X-ray diffraction (XRD) technique. The porous morphologies of the synthesized materials caused by auto-ignition during the combustion process were validated by the microscopic investigations. The EDS analysis confirmed the constituted elements such as Mg, Fe, and O, without any impurity peaks. The gas-sensing ability of the synthesized ferrites was examined to detect various reducing gases such as LPG, ethanol, acetone, and ammonia. The ferrite showed the highest response (\>80\%) toward LPG with the response and recovery times of 15 s and 23 s, respectively. Though the sensor responded low toward ammonia (similar to 30\%), its response and recovery times were very quick, i.e., 7 s and 9 s, respectively. The present investigation revealed that the synthesized ferrite materials are good candidates for fabricating high-performance sensors for reducing gases in real-world applications.

}, keywords = {Gas sensors, glycine combustion, MgFe2O4, reducing gases}, doi = {10.3390/chemosensors10090361}, author = {Nadargi, Digambar and Umar, Ahmad and Nadargi, Jyoti and Patil, Jayvant and Mulla, Imtiaz and Akbar, Sheikh and Suryavanshi, Sharad} } @article {48134, title = {Sponge microflowers of NiCo2O4: a versatile material for high performance supercapacitor}, journal = {Journal of Porous Materials}, volume = {29}, year = {2022}, month = {AUG}, pages = {1239-1252}, type = {Article}, abstract = {

We report the development of well optimised NiCo2O4 microflowers for high performance supercapacitor application. The efforts were made to optimise the electrode material by tuning the synthetic as well as electrolyte concentration parameters such as (i) hydrothermal reaction temperature, (ii) hydrothermal reaction time, (iii) sintering temperature, and (iv) electrolyte concentration. The physico-chemical and supercapacitive properties were analysed using TGA, XRD, SEM/TEM/HRTEM, XPS, BET, and electrochemical measurements. The well optimised electrode material was obtained at 150 degrees C hydrothermal reaction temperature, 12 h of hydrothermal reaction time, 300 degrees C sintering temperature, and 3 M KOH electrolyte concentration. The optimised sample displayed high specific -capacitance (1478 F/g), -energy density (16.5 Wh/kg), and -power density (248 W/kg). The specific capacitance can be retained to 97.61\% after 1000 cycles. The developed NiCo2O4 microflower structures are well optimised and offer great promise for future industrial applications.

}, keywords = {hydrothermal, Microflowers, Nickel cobaltite, supercapacitor}, issn = {1380-2224}, doi = {10.1007/s10934-022-01247-9}, author = {Ghadage, Ambar and Kodam, Pavan and Nadargi, Digambar and Shinde, K. P. and Mulla, Imtiaz and Park, J. S. and Suryavanshi, Sharad} } @article {48223, title = {Stacking herbicide detoxification and resistant genes improves glyphosate tolerance and reduces phytotoxicity in tobacco (Nicotiana tabacum L.) and rice (Oryza sativa L.)}, journal = {Plant Physiology and Biochemistry}, volume = {189}, year = {2022}, month = {OCT}, pages = {126-138}, type = {Article}, abstract = {

Glyphosate residues retained in the growing meristematic tissues or in grains of glyphosate-resistant crops affect the plants physiological functions and crop yield. Removing glyphosate residues in the plants is desirable with no penalty on crop yield and quality. We report a new combination of scientific strategy to detoxify glyphosate that reduces the residual levels and improve crop resistance. The glyphosate detoxifying enzymes Aldo-keto reductase (AKR1) and mutated glycine oxidase (mGO) with different modes of action were co-expressed with modified EPSPS, which is insensitive to glyphosate in tobacco (Nicotiana tabacum L.) and rice (Oryza sativa L.). The transgenic tobacco plants expressing individual PsAKR1, mGO, CP4-EPSPS, combinations of PsAKR1:CP4EPSPS, PsAKR1:mGO, and multigene with PsAKR1: mGO: CP4EPSPS genes were developed. The bio-efficacy studies of in-vitro leaf regeneration on different concentrations of glyphosate, seedling bioassay, and spray on transgenic tobacco plants demonstrate that glyphosate detoxification with enhanced resistance. Comparative analysis of the transgenic tobacco plants reveals that double and multigene expressing transgenics had reduced accumulation of shikimic acid, glyphosate, and its primary residue AMPA, and increased levels of sarcosine were observed in all PsAKR1 expressing transgenics. The multigene expressing rice transgenics showed improved glyphosate resis-tance with yield maintenance. In summary, results suggest that stacking genes with two different detoxification mechanisms and insensitive EPSPS is a potential approach for developing glyphosate-resistant plants with less residual content.

}, keywords = {Detoxification, Gene stacking, Glyphosate, Herbicide, Multigene, Residual toxicity, Resistant, rice, Tobacco, Transgenics}, issn = {0981-9428}, doi = {10.1016/j.plaphy.2022.08.025}, author = {Vennapusa, Amaranatha Reddy and Agarwal, Subham and Hm, Hanumanth Rao and Aarthy, Thiagarayaselvam and Babitha, K. C. and Thulasiram, V. Hirekodathakallu and Kulkarni, Mahesh J. and Melmaiee, Kalpalatha and Sudhakar, Chinta and Udayakumar, M. and Vemanna, Ramu S.} } @article {47757, title = {Steroidal alkaloids defence metabolism and plant growth are modulated by the joint action of gibberellin and jasmonate signalling}, journal = {New Phytologist}, volume = {233}, year = {2022}, month = {FEB}, pages = {1220-1237}, type = {Article}, abstract = {Steroidal glycoalkaloids (SGAs) are protective metabolites constitutively produced by Solanaceae species. Genes and enzymes generating the vast structural diversity of SGAs have been largely identified. Yet, mechanisms of hormone pathways coordinating defence (jasmonate; JA) and growth (gibberellin; GA) controlling SGAs metabolism remain unclear. We used tomato to decipher the hormonal regulation of SGAs metabolism during growth vs defence tradeoff. This was performed by genetic and biochemical characterisation of different JA and GA pathways components, coupled with in vitro experiments to elucidate the crosstalk between these hormone pathways mediating SGAs metabolism. We discovered that reduced active JA results in decreased SGA production, while low levels of GA or its receptor led to elevated SGA accumulation. We showed that MYC1 and MYC2 transcription factors mediate the JA/GA crosstalk by transcriptional activation of SGA biosynthesis and GA catabolism genes. Furthermore, MYC1 and MYC2 transcriptionally regulate the GA signalling suppressor DELLA that by itself interferes in JA-mediated SGA control by modulating MYC activity through protein-protein interaction. Chemical and fungal pathogen treatments reinforced the concept of JA/GA crosstalk during SGA metabolism. These findings revealed the mechanism of JA/GA interplay in SGA biosynthesis to balance the cost of chemical defence with growth.}, keywords = {alpha-tomatine, defence, gibberellin (GA), growth, jasmonate (JA), steroidal glycoalkaloids (SGAs), Tomato}, issn = {0028-646X}, doi = {10.1111/nph.17845}, author = {Panda, Sayantan and Jozwiak, Adam and Sonawane, Prashant D. and Szymanski, Jedrzej and Kazachkova, Yana and Vainer, Andrii and Kilambi, Himabindu Vasuki and Almekias-Siegl, Efrat and Dikaya, Varvara and Bocobza, Samuel and Shohat, Hagai and Meir, Sagit and Wizler, Guy and Giri, Ashok P. and Schuurink, Robert and Weiss, David and Yasuor, Hagai and Kamble, Avinash and Aharoni, Asaph} } @article {48098, title = {Strain-enhanced phase transformation of iron oxide for higher alcohol production from CO2}, journal = {ACS Catalysis}, volume = {12}, year = {2022}, month = {SEP}, pages = {11118-11128}, type = {Article}, abstract = {

Conversion of CO2 to higher alcohols (HAs) and higher hydrocarbons (HCs) has a greater advantage compared to C1 products because of their high energy density and wide range of applications in daily life. Despite the immense potential of these chemicals, not much of scientific research has been focused on the conversion of CO2 to HAs. In the present work, we have introduced the concept of strain in designing the material to enhance the CO(2 )to HA performance. We introduced strain in a traditional iron-based catalyst, Fe2O3, by the introduction of indium (In), which facilitates the selective conversion of CO2 to HA. An optimum strain favored a 36.7\% CO2 conversion with a 42\% HA selectivity, and a record yield of 15.42\%. The strain has been tuned further with the introduction of K as a promoter. The introduced strain upon In substitution and K promotion favored the conversion of CO2, which is mapped by powder X-ray diffraction, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy. Further, the change in the mechanism upon In incorporation and K promotion has been probed by in situ diffuse reflectance infrared fourier transform spectroscopy, and it is found that the OCHx intermediate, which produces HAs, is more prominent upon In substitution, which favored the enhancement of HA production compared to that of pristine Fe2O3.

}, keywords = {CO2 to HA, Fischer-Tropsch synthesis (FTS), Phase transformation, reverse water gas shift (RWGS) reaction, strain}, issn = {2155-5435}, doi = {10.1021/acscatal.2c0318311118}, author = {Goud, Devender and Churipard, Sathyapal R. and Bagchi, Debabrata and Singh, Ashutosh Kumar and Riyaz, Mohd and Vinod, C. P. and Peter, Sebastian C.} } @article {48368, title = {Structure-property insights into chiral thiophene copolymers by direct heteroarylation polymerization}, journal = {European Polymer Journal}, volume = {181}, year = {2022}, month = {DEC }, pages = {111676}, type = {Article}, abstract = {

Chiral thiophene copolymers with fluorene as co monomer are designed having N-Boc-L-glutamic acid-1-tert-butyl ester as a chiral substituent located either on the thiophene unit or the fluorene unit with varying spacer length. The atom-economic direct heteroarylation polymerization (DHAP) method is utilized for the polymerization. Gibb{\textquoteright}s free energy (delta G) for polymerization determined using DFT calculations indicate difficulty in achieving high molar mass when the bulky chiral substituents are attached through short spacer to the backbone. The experimental observations are in agreement with the theoretical calculations with no polymer-ization or very low molar mass sticky compounds obtained for reactions with predicted + \& UDelta;G values. Structure -property relationship are compared for two chiral polymers -P4 and P5 having the chiral substitution on thiophene and fluorene units respectively. No CD signal is observed in THF-a good solvent where the polymers are molecularly dissolved. Intense bisignated CD signal is observed for both polymers upon addition of methanol - a poor solvent, to their THF solution. The bisignate CD signal with maxima at lower wavelength and inflection point associated with the pi-pi* absorption band is characteristic of exciton coupling between polymer chains in a left handed helical orientation. Small differences are observed in the intensity of the CD signal for the polymers P4 and P5 highlighting the impact of steric hindrance of bulky pendant groups on polymer conformation. DHAP is an atom economic polymerization procedure that can be gainfully utilized for developing chiral conjugated polymers.

}, keywords = {chiral, DFT, Direct heteroarylation polymerization, Gibb?s free energy, Steric Hindrance}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2022.111676}, author = {Nikam, Shrikant B. and Singh, Chandrodai Pratap and Krishnamurty, Sailaja and Asha, S. K.} } @article {48088, title = {Structure-tailored surface oxide on Cu-Ga intermetallics enhances CO2 reduction selectivity to methanol at ultralow potential}, journal = {Advanced Materials}, volume = {34}, year = {2022}, month = {MAY}, pages = {2109426}, type = {Article}, abstract = {

Electrochemical CO2 reduction reaction (eCO(2)RR) is performed on two intermetallic compounds formed by copper and gallium metals (CuGa2 and Cu9Ga4). Among them, CuGa2 selectively converts CO2 to methanol with remarkable Faradaic efficiency of 77.26\% at an extremely low potential of -0.3 V vs RHE. The high performance of CuGa2 compared to Cu9Ga4 is driven by its unique 2D structure, which retains surface and subsurface oxide species (Ga2O3) even in the reduction atmosphere. The Ga2O3 species is mapped by X-ray photoelectron spectroscopy (XPS) and X-ray absorption fine structure (XAFS) techniques and electrochemical measurements. The eCO(2)RR selectivity to methanol are decreased at higher potential due to the lattice expansion caused by the reduction of the Ga2O3, which is probed by in situ XAFS, quasi in situ powder X-ray diffraction, and ex situ XPS measurements. The mechanism of the formation of methanol is visualized by in situ infrared (IR) spectroscopy and the source of the carbon of methanol at the molecular level is confirmed from the isotope-labeling experiments in presence of (CO2)-C-13. Finally, to minimize the mass transport limitations and improve the overall eCO(2)RR performance, a poly(tetrafluoroethylene)-based gas diffusion electrode is used in the flow cell configuration.

}, keywords = {(2) reduction, CO, Electrochemistry, Methanol}, issn = {0935-9648}, doi = {10.1002/adma.202109426}, author = {Bagchi, Debabrata and Raj, Jithu and Singh, Ashutosh Kumar and Cherevotan, Arjun and Roy, Soumyabrata and Manoj, Kaja Sai and Vinod, C. P. and Peter, Sebastian C.} } @article {48008, title = {Studies toward the total synthesis of (+)-neopeltolide using N-heterocyclic carbene-catalyzed oxo-acyloxylation/reductive oxa-Michael addition strategy}, journal = {Bulletin of the Korean Chemical Society}, volume = {43}, year = {2022}, month = {OCT}, pages = {1169-1172}, type = {Article}, abstract = {

This article describes a concise synthesis of two important fragments (tetrahydropyran [THP] and ketone moieties) of the cytotoxic macrolide (+)-neopeltolide in 10 long linear steps in enantiomerically pure form. Asymmetric Keck allylation to install the required C11 and C13 stereocenters, N-heterocyclic carbene (NHC)-catalyzed oxoacyloxylation to functionalize alkenes, and reductive oxa-Michael addition to construct 2,6-difunctionalized THP unit intramolecularly are the important steps in synthetic efforts. Finally, Keck asymmetric allylation and Lewis acid-catalyzed diastereoselective allylation of the aldehyde were sequentially employed to establish the stereocenters at C11 and C13 positions, respectively.

}, keywords = {(+)-neopeltolide, Keck allylation, Macrolide, NHC-catalyzed oxoacyloxylation, reductive oxa-Michael addition}, issn = {0253-2964}, doi = {10.1002/bkcs.12604}, author = {Reddi, Rambabu N. and Sudalai, Arumugam and Jo, Changbum} } @article {48149, title = {Substitution at sp(3) boron of a six-membered NHC center dot BH3: convenient access to a dihydroxyborenium cation}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {MAR }, pages = {3783-3786}, type = {Article}, abstract = {

Herein, we have undertaken the synthesis and investigated the reactivity of a 6-membered saturated NHC borane adduct (1). Direct electrophilic halogenation of 1 with a stoichiometric amount of I-2 led to NHC boryl iodides, 6-SIDipp center dot BH2I (2) and 6-SIDipp center dot BHI2 (3), which were further reacted with various nucleophiles to give novel 6-SIDipp based mono and disubstituted boranes with OTf (4 and 6) or ONO2 (5 and 7) functional groups. The addition of Br-2/H2O to 1 smoothly results in a dihydroxyborenium cation (8).

}, issn = {1359-7345}, doi = {10.1039/d1cc06816d}, author = {Kundu, Gargi and Ajithkumar, V. S. and Raj, K. Vipin and Vanka, Kumar and Tothadi, Srinu and Sen, Sakya S.} } @article {48043, title = {Substrate induced dynamical remodeling of the binding pocket generates GTPase specificity in DOCK family of guanine nucleotide exchange factors}, journal = {Biochemical and Biophysical Research Communications}, volume = {631}, year = {2022}, month = {NOV}, pages = {32-40}, type = {Article}, abstract = {

Dedicator of cytokinesis (DOCK) family of guanine nucleotide exchange factors (GEFs) activate two members of Rho family GTPases, Rac1/Cdc42, to exert diverse cellular processes, including cell migration. As DOCK GEFs have been critically implicated in tumour cell migration, understanding their function and specificity is imperative for designing anti-metastatic drugs. Based on their GTPase specificity they have been classified as Rac, Cdc42 and dual specific GEFs. Despite extensive structural studies, the factors that determine GTPase specificity of DOCK GEFs have remained elusive. Here, we show that subtle dynamical coupling between GEF and GTPase structures modulate the binding interface to generate mutual spec-ificity. To cluster the dynamically coupled residues in GEF-GTPase complexes a novel intra-residue backbone-torsion-angles based mutual information (TMI) technique was employed. TMI was calcu-lated from 4500 trajectories obtained from a total of 4.5ms molecular dynamics simulations performed on members of all the three clades of DOCK GEFs. The obtained clusters suggest a specificity generation mechanism that involves optimization of the binding pocket for the crucial divergent residue at the 56th position of Rac/Cdc42 (FCdc42/WRac1). These clusters encompass five residues from the structural segment lobe C -a10 helix of the DOCK proteins and functional SWI region of GTPase, which induce orchestrated structural modulations to generate the specificity. Even the conserved residues from SWI region are seen to augment the specificity defining dynamical rearrangements. Furthermore, the pro-posed dynamical GTPase-DOCK GEF specificity model was verified using mutagenesis studies on Rac1 and dual GTPase specific Dock2 and Dock6, respectively. Thus the current study provides the generic substrate specificity determinants of DOCK GEFs, which are not apparent from the conventional struc-tural analysis.(c) 2022 Elsevier Inc. All rights reserved.

}, keywords = {Dedicator of cytokinesis, GTPase specificity, Guanine exchange factors, Molecular dynamics simulations, Mutual information, Rho GTPases}, issn = {0006-291X}, doi = {10.1016/j.bbrc.2022.09.059}, author = {Roy, Debopriya and Sengupta, Durba and Kulkarni, Kiran} } @article {48430, title = {Suitability of different supported Ru, Pt and Ni catalysts for the hydrogenolysis of sorbitol}, journal = {Results in Engineering}, volume = {15}, year = {2022}, month = {SEP}, pages = {100594}, type = {Article}, abstract = {

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

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

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

}, doi = {10.1016/j.rineng.2022.100594}, author = {Kandasamy, Thirunavukkarasu and Banu, Marimuthu and Shanthi, R. Vijaya and Sivasanker, S.} } @article {48131, title = {SUMOylation of dorsal attenuates Toll/NF-kappa B signaling}, journal = {Genetics}, volume = {221}, year = {2022}, month = {JUL }, type = {Article}, abstract = {

In Drosophila, Toll/NF-kappa B signaling plays key roles in both animal development and in host defense. The activation, intensity, and kinetics of Toll signaling are regulated by posttranslational modifications such as phosphorylation, SUMOylation, or ubiquitination that target multiple proteins in the Toll/NF-kappa B cascade. Here, we have generated a CRISPR-Cas9 edited Dorsal (DL) variant that is SUMO conjugation resistant. Intriguingly, embryos laid by dl(SCR) mothers overcome dl haploinsufficiency and complete the developmental program. This ability appears to be a result of higher transcriptional activation by DLSCR. In contrast, SUMOylation dampens DL transcriptional activation, ultimately conferring robustness to the dorso-ventral program. In the larval immune response, dl(SCR) animals show an increase in crystal cell numbers, stronger activation of humoral defense genes, and high cactus levels. A mathematical model that evaluates the contribution of the small fraction of SUMOylated DL (1-5\%) suggests that it acts to block transcriptional activation, which is driven primarily by DL that is not SUMO conjugated. Our findings define SUMO conjugation as an important regulator of the Toll signaling cascade, in both development and host defense. Our results broadly suggest that SUMO attenuates DL at the level of transcriptional activation. Furthermore, we hypothesize that SUMO conjugation of DL may be part of a Ubc9-dependent mechanism that restrains Toll/NF-kappa B signaling.

}, keywords = {Drosophila, haploinsufficiency, innate immunity, SUMO, transcription}, issn = {0016-6731}, doi = {10.1093/genetics/iyac081}, author = {Hegde, Sushmitha and Sreejan, Ashley and Gadgil, Chetan J. and Ratnaparkhi, Girish S.} } @article {47824, title = {Surface alteration driven bi-functional catalytic activity of alkali niobate-N doped graphene composite for exalted oxygen electrochemistry}, journal = {Applied Surface Science}, volume = {580}, year = {2022}, month = {APR}, pages = {152160}, type = {Article}, abstract = {In this work, we establish that surface reconstruction, oxygen vacancies {\textemdash}specifically those located on the catalyst surface, and high crystallinity can be effective in tuning the catalytic activity of perovskite oxides. We report a high-performance electrocatalyst with an orthorhombic perovskite structure (NaNbO3), having an anisotropic surface layer and high crystallinity that exhibits superior activity and durability for the bi-functional oxygen electrochemistry compared to that of a similar perovskite composition with an isotropic surface layer and low crystallinity. The improvement in the electrocatalytic activity for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) is mainly attributed to the formation of an easy diffusion path on the surface layer due to the ionic movements, enhanced intrinsic activity of the catalytic sites resulting from the higher crystallinity, high oxygen vacancies and a large electrochemically active surface area. The sole key parameter in achieving all the acquired characteristics is the annealing temperature. We believe that the straightforward method of bringing the desired combination of properties by just tweaking the annealing temperature is handy and energy-efficient, and hence easily adoptable.}, keywords = {Bi-functionality, N-doped graphene, Oxygen Evolution Reaction, oxygen reduction reaction, perovskite, Surface reconstruction}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2021.152160}, author = {Suman Kumari Jhajharia and Shashaank Gupta and Zinoy Manappadan and Kaliaperumal Selvaraj and Myoor K. Padmanabhan and Roop L. Mahajan} } @article {48208, title = {Sustainable composite of SnFe2O4 conversion alloying anode for lithium-ion storage}, journal = {Sustainable Energy \& Fuels}, volume = {6}, year = {2022}, month = {AUG }, pages = {3806-3817}, type = {Article}, abstract = {

The development of high-performance, low-cost electrodes using sustainable materials for Li-ion batteries is of vital importance in view of their increasing demand for use in electronics and electric vehicles, as we transition from non-renewable energy resources. Challenges associated with commercial graphite anode materials include relatively low capacity, the use of high-temperature synthesis, Li dendrite formation, and limited rate capability. In this study, we present a tin ferrite SnFe2O4 (SFO) conversion alloying material (CAM), and its synergistic composite with a scalable and low-cost waste-derived carbon (WDC), which was prepared by low-temperature pyrolysis of a waste material sustainably. The combination of SFO with the WDC in the composite boosts the conductivity, diffusion kinetics, stability, and reversibility, and accommodates volume expansion upon cycling. The first charge capacity obtained for WDC, SFO, and SFO-WDC is 595, 1269, and 1331 mA h g(-1), respectively at 100 mA g(-1) in a Li-ion half-cell. In a full cell fabricated with LFP, a stable capacity of 80 mA h g(-1) at 100 mA g(-1) could be obtained, and the corresponding energy density for the SFO-WDCIILFP full cell is 300 W h kg(-1). Kinetic studies revealed that capacitance-controlled charge storage is dominant so the capacity was higher in the composite. This composite system addresses both the low capacity issue of the carbon anode and stability issues of CAMs while being compatible for use with current Li-ion battery technology.

}, issn = {2398-4902}, doi = {10.1039/d2se00919f}, author = {Yadav, Poonam and Parte, Golu and Malik, Wahid and Sabri, Ylias M. and Jones, Lathe A. and Shelke, V. Manjusha} } @article {48158, title = {Sustainable fabrication of copper nanoparticles: a potent and affordable candidate for water treatment, water disinfection, antioxidant activity and theranostic agent}, journal = {ChemistrySelect}, volume = {7}, year = {2022}, month = {APR}, pages = {e202103552}, type = {Article}, abstract = {

This study reports a simple, green, and large-scale biosynthetic fabrication of spherical copper nanoparticles (Cu NPs), approximate 28 nm, using the aqueous extracts of Diaplazium esulentum (Retz.) Sw. fern. Characterization was carried out for morphology, size, elemental analysis, crystallinity and for identification of functionalities responsible for reduction and stabilization. Extraordinary remediation efficiency was obtained for the developed Cu NPs for the elimination of two industrially important pollutants; Methyl Violet 6B and Methylene Blue (greater than 92 \% within 150 mins). A mechanism was postulated for the process using the data on the identification of NPs and also spent NPs apart from degraded products. Furthermore, the Cu NPs revealed excellent antibacterial activity against gram positive bacteria: Staphylococcus aureus, Streptococcus pneumonia and Bacillus subtilis, as well as gram negative bacteria: Pseudomonas aeruginosa, Escherichia coli and potential action against fungal strains; Aspergillus niger and Candida albicans. Additionally, the assay depicted that Cu NPs has fairly decent radical scavenging activity with IC50 value 2.11 mM. Moreover, the Cu NPs were found to exhibit profound anticancerous activity against two human cancer line cells. The present research work has implications for exploitation of DE fern extract for the development of Cu NPs and their numerous applications ranging from pollutants removal to antibacterial, antifungal, antioxidant and anticancerous agents.

}, keywords = {Anticancer, antifungal, Antimicrobial, Antioxidant, Photodegradation and Phytosynthesis}, issn = {2365-6549}, doi = {10.1002/slct.202103552}, author = {Sinha, Tanur and Adhikari, Partha Pradip and Bhandari, Vinay M.} } @article {48013, title = {Synergetic storage of ammonia over Al quantum dots embedded graphene sheets: a first principles perspective}, journal = {International Journal of Hydrogen Energy}, volume = {47}, year = {2022}, month = {OCT }, pages = {36873-36885}, type = {Article}, abstract = {

In view of the increasing energy demand and global warming, it is imperative to search for a renewable and environmental friendly fuel in lieu of non-renewable energy resources. Hydrogen stands out to be the best fuel as both, renewable and clean. Concerning the use of hydrogen as a fuel, its production as well as storage are current global challenges being worked on. In this article, a density functional theory based study is performed to identify the potential of supported Al cluster cages for ammonia storage. In this context, initially, stability of pristine and doped aluminum nanoclusters anchored on graphene sheet is evaluated following which thus supported stable nanoclusters are studied for the adsorption of NH3 to identify their storage capacity. For both, complexes and NH3 adsorbed complexes, Density of States (DOS), Charge Density Difference (CDD) and Bader charge analysis is done to understand their electronic properties.(c) 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.

}, keywords = {Aluminum nanoclusters, Defective graphene, Endohedral doping, NH 3 adsorption}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2022.08.268}, author = {Singh, Chandrodai Pratap and Krishnamurty, Sailaja} } @article {48347, title = {Synergistic and competitive lipid interactions in the serotonin1A receptor microenvironment}, journal = {ACS Chemical Neuroscience}, volume = {13}, year = {2022}, month = {DEC }, pages = {3403-3415}, type = {Article}, abstract = {

The interaction of lipids with G-protein-coupled receptors (GPCRs) has been shown to modulate and dictate several aspects of GPCR organization and function. Diverse lipid interaction sites have been identified from structural biology, bioinformatics, and molecular dynamics studies. For example, multiple cholesterol interaction sites have been identified in the serotonin1A receptor, along with distinct and overlapping sphingolipid interaction sites. How these lipids interact with each other and what is the resultant effect on the receptor is still not clear. In this work, we have analyzed lipid-lipid crosstalk at the receptor of the serotonin1A receptor embedded in a membrane bilayer that mimics the neuronal membrane composition by long coarse-grain simulations. Using a set of similarity coefficients, we classified lipids that bind at the receptor together as synergistic cobinding, and those that bind individually as competitive. Our results show that certain lipids interact with the serotonin1A receptor in synergy with each other. Not surprisingly, the ganglioside GM1 and cholesterol show a synergistic cobinding, along with the relatively uncommon GM1-phosphatidylethanolamine (PE) and cholesterol-PE synergy. In contrast, certain lipid pairs such as cholesterol and sphingomyelin appear to be in competition at several sites, despite their coexistence in lipid nanodomains. In addition, we observed intralipid competition between two lipid tails, with the receptor exhibiting increased interactions with the unsaturated lipid tails. We believe our work represents an important step in understanding the diversity of GPCR-lipid interactions and exploring synergistic cobinding and competition in natural membranes.

}, keywords = {GPCR, lipid crosstalk, Martini coarse-grain simulations, Membrane cholesterol, neuronal membranes}, issn = {1948-7193}, doi = {10.1021/acschemneuro.2c00422}, author = {Mohole, Madhura and Sengupta, Durba and Chattopadhyay, Amitabha} } @article {48183, title = {Synergistic electronic effects in AuCo nanoparticles stabilized in a triazine-based covalent organic framework: a catalyst for methyl orange and methylene blue reduction}, journal = {ACS Applied Nano Materials}, volume = {5}, year = {2022}, month = {APR }, pages = {4744-4753}, type = {Article}, abstract = {

Developing stable active catalysts for reducing water-soluble pollutants is a desirable target. In this pursuit, we have functionalized covalent organic frameworks (COFs) with gold (Au) and cobalt (Co) nanoparticles via a one-step aqueous synthesis process, and their catalytic activity in reducing methyl orange and methylene blue is examined. Operando absorbance measurements of methyl orange (anionic dye) reduction revealed AuCoCOF (1.3 Au/1.0 Co) to have superior kinetics over many other catalysts, which typically require additional external stimuli (e.g., photons) and higher catalyst loadings. After confirming the homogeneous dispersion of the nanoparticles on the COF support using three-dimensional (3D) tomography and material stability through powder X-ray diffraction (PXRD), infrared (IR), and thermal studies, we investigated their redox activity. Cyclic voltammetry (CV) confirmed the involvement of both metals in the redox process, while spectroelectrochemical measurements show that their activity and kinetics remain unaltered by an applied potential. Solid-state UV measurements reveal that the neat COF is a semiconductor with a large band gap (2.8 eV), which is substantially lowered when loaded with cobalt nanoparticles (2.2 eV for CoCOF). The electronic synergy between Au and Co nanoparticles further reduces the band gap of AuCoCOF (1.9 eV). Thus, there is a definite advantage in doping non-noble metal nanoparticles into a noble metal lattice and nanoconfining them into a porous COF support. Our study highlights the significance of bimetallic COF-supported nanocatalysts, wherein one can engage each component toward targeted applications that demand redox activity with favorable kinetics.

}, keywords = {AuCoCOF, band gaps, Covalent organic framework, methyl orange reduction, Nanoparticles, UV-vis spectroscopy}, doi = {10.1021/acsanm.1c04212}, author = {Devulapalli, Venkata Swaroopa Datta and Kushwaha, Rinku and Ovalle, Edwin and Singh, Himan Dev and Shekhar, Pragalbh and Chakraborty, Debanjan and Vinod, Chathakudath Prabhakaran and Vaidhyanathan, Ramanathan and Borguet, Eric} } @article {48165, title = {Synthesis and antimycobacterial screening of a novel series of alpha-amino acids containing thiazole linker}, journal = {ARKIVOC}, year = {2022}, type = {Article}, abstract = {

A small focused library of uncommon (S)-2-amino-3-(4-(((4-methyl-2-arylthiazol-5-yl)methyl)amino)phenyl) propanoic acid (5a-e) and (S)-2-amino-3-(4-(((2-arylthiazol-4-yl)methyl)amino)phenyl)propanoic acid (9a-d) derivatives have been efficiently synthesized by employing molecular simplification. The title compounds were screened for inhibitory activity against Mycobacterium tuberculosis H37Ra (MTB) and Mycobacterium bovis (BCG) strains. The cytotoxicity study was conducted against primary Human Umbilical Vein Endothelial Cells (HUVECs), on two different human tumor cells HeLa, and HCT 116 and was observed non-toxic to host cells.

}, keywords = {Amino acid, antibacterial activity, Cytotoxicity, Mycobacterium tuberculosis, synthesis, Thiazole}, issn = {1551-7004}, doi = {10.24820/ark.5550190.p011.831}, author = {Nalawade, Jitendra L. and Mhaske, Pravin C. and Shinde, Abhijit D. and Chavan, Abhijit P. and Abhale, Yogita K. and Sarkar, Dhiman and Bobade, Vivek D.} } @article {48003, title = {Synthesis of a highly electron-deficient, water-stable, large ionic box: multielectron accumulation and proton conductivity}, journal = {Organic Letters}, volume = {24}, year = {2022}, month = {APR 19}, pages = {3038-3042}, type = {Article}, abstract = {

pi-acidic boxes exhibiting electron reservoir and proton conduction are unprecedented because of their instability in water. We present the synthesis of one of the strongest electron-deficient ionic boxes showing e(-) uptake as well as proton conductivity. Two large anions fit in the box to form anion-pi interactions and form infinite anion-solvent wires. The box with NO3-center dot center dot center dot water wires confers high proton conductivity and presents the first example that manifests redox and ionic functionality in an organic electron-deficient macrocycle.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.2c00993}, author = {Shukla, Jyoti and Illathvalappil, Rajith and Kumar, Sharvan and Chorol, Sonam and Pandikassala, Ajmal and Kurungot, Sreekumar and Mukhopadhyay, Pritam} } @article {47985, title = {Synthesis of central spiro-bis-THF fragments of symbiospirols A-C}, journal = {New Journal of Chemistry}, volume = {46}, year = {2022}, month = {JUL}, pages = {13738-13744}, type = {Article}, abstract = {

The gold catalysed alkynediol spiroketalization to assemble the central spiro-bis-THF fragments (C22-C33 and C36-C47) of symbiospirols A-C is documented. The adopted chiral pool approach employed commercially available d-glucose and l-malic acid in the synthesis of key building blocks. In addition, two other possible diastereomers have been synthesized in order to establish the relative stereochemistry of the unassigned THF-center of symbiospirols B/C.

}, issn = {1144-0546}, doi = {10.1039/d2nj02227c}, author = {Shinde, Mahesh H. and Kona, Chandrababu N. and Ramana, V. Chepuri} } @article {46623, title = {Synthesis of new thiazole and pyrazole clubbed 1,2,3-triazol derivatives as potential antimycobacterial and antibacterial agents}, journal = {Polycyclic Aromatic Compounds}, volume = {42}, year = {2022}, month = {JUL}, pages = {3216-3237}, type = {Article}, abstract = {

New series of 4-methyl-2-(4-substituted phenyl)-5-(4-((4-(4-substituted phenyl)-1H-1,2,3-triazol-1-yl)methyl)-1-phenyl-1H-pyrazol-3-yl)thiazole, 6a-t and 4-(1,3-diphenyl-1H-pyrazol-4-yl)-1-((1,3-diphenyl-1H-pyrazol-4-yl)methyl )-1H-1,2,3-triazole, 11a-o derivatives have been synthesized by applying copper-catalyzed [3 + 2] cycloaddition reaction. The newly synthesized 1,3-thiazolyl-pyrazolyl-1,2,3-triazole (6a-t) and bis-pyrazolyl-1,2,3-triazole (11a-o) derivatives were screened for in vitro antimycobacterial activity against M. Tuberculosis H37Ra dormant and active and antibacterial activity against four pathogenic bacteria, E. coli (NCIM 2576), P. flurescence (NCIM 2059), S. aureus (NCIM 2602) and B. subtilis (NCIM 2162). Compounds 6a, 6f, 6j, 11e and 11m showed good activity against M tuberculosis H37Ra Active strain, also compounds 6g, 6h, 11f, 11n and 11o showed good activity against M tuberculosis H37Ra Dormant strain. Compounds 6b, 6i, 6l, 6o, 6r, 11k, 11l and 11m showed good activity against B. subtilis with IC50 1.99-2.96 mu g/mL. The antibacterial activity of thiazolyl-pyrazolyl-1,2,3-triazole and bis-pyrazolyl-1,2,3-triazole derivatives suggested that, these derivatives could lead to new compounds for treatment against bacterial infection.

}, keywords = {123-Triazole, antibacterial activity, antimycobacterial activity, Pyrazole, Thiazole}, issn = {1040-6638}, doi = {10.1080/10406638.2020.1857272}, author = {Jagadale, Shivaji M. and Abhale, Yogita K. and Pawar, Hari R. and Shinde, Abhijit and Bobade, Vivek D. and Chavan, Abhijit P. and Sarkar, Dhiman and Mhaske, Pravin C.} } @article {48151, title = {Tailored synthesis of ultra-stable Au@Pd nanoflowers with enhanced catalytic properties using cellulose nanocrystals}, journal = {Carbohydrate Polymers}, volume = {292}, year = {2022}, month = {SEP}, pages = {119723}, type = {Article}, abstract = {

A green strategy for the synthesis of bimetallic core-shell Au@Pd nanoflowers (NFs) employing banana pseudostem-derived TEMPO-oxidized cellulose nanocrystals (TCNC) as both capping and shape-directing agent via seed-mediated method is presented. Flower-like nanostructures of Au@Pd bound to TEMPO-oxidized cellulose nanocrystals (TCNC-Au@Pd) were decorated on amino-functionalized graphene (NH2-RGO) without losing their unique structure, allowing them to be deployed as an efficient, reusable and a green alternative heterogeneous catalyst. The decisive role of TCNC in the structural metamorphosis of nanoparticle morphology were inferred from the structural and morphology analyses. According to our study, the presence of -OH rich TCNC appears to play a pivotal role in the structured evolution of intricate nanostructure morphology. The feasibility of the bio-supported catalyst has been investigated in two concurrently prevalent model catalytic reactions, namely the oxygen reduction reaction (ORR) and the reduction of 4-nitrophenol, the best model reactions in fuel cell and industrial catalytic applications, respectively.

}, keywords = {Au@Pd, catalysis, Cellulose nanocrystals, Nanoflowers, oxygen reduction reaction}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2022.119723}, author = {Hakkeem, Hasna M. Abdul and Babu, Aswathy and Shilpa, Nagaraju and Venugopal, Adithya A. and Mohamed, A. P. and Kurungot, Sreekumar and Pillai, Saju} } @article {48015, title = {Tailoring diradicaloid properties of expanded isophlorinoids with systematic core-modification}, journal = {Chemical Communications}, volume = {58}, year = {2022}, month = {AUG}, pages = {8946-8949}, type = {Article}, abstract = {

Herein, we describe the synthesis, structural diversity and diradicaloid characteristics of 38 pi core-modified aromatic expanded isophlorins with eight heterocyclic rings. The diradicaloid character of expanded isophlorinoid macrocycles was engineered by systematic structural modification. Depending on the nature of the link between the heteroatoms, they adopt planar and non-planar conformations. This large structural variation with a significant difference in the extent of aromaticity is correlated with the magnitude of their respective diradical character.

}, issn = {1359-7345}, doi = {10.1039/d2cc02970g}, author = {Ambhore, Madan D. and Shukla, Pragati and Gonnade, Rajesh G. and Anand, Venkataramanarao G.} } @article {48403, title = {Temporal analysis of melanogenesis identifies fatty acid metabolism as key skin pigment regulator}, journal = {Plos Biology}, volume = {20}, year = {2022}, month = {MAY}, pages = {e3001634}, type = {Article}, abstract = {

Therapeutic methods to modulate skin pigmentation has important implications for skin cancer prevention and for treating cutaneous hyperpigmentary conditions. Towards defining new potential targets, we followed temporal dynamics of melanogenesis using a cell-autonomous pigmentation model. Our study elucidates 3 dominant phases of synchronized metabolic and transcriptional reprogramming. The melanogenic trigger is associated with high MITF levels along with rapid uptake of glucose. The transition to pigmented state is accompanied by increased glucose channelisation to anabolic pathways that support melanosome biogenesis. SREBF1-mediated up-regulation of fatty acid synthesis results in a transient accumulation of lipid droplets and enhancement of fatty acids oxidation through mitochondrial respiration. While this heightened bioenergetic activity is important to sustain melanogenesis, it impairs mitochondria lately, shifting the metabolism towards glycolysis. This recovery phase is accompanied by activation of the NRF2 detoxication pathway. Finally, we show that inhibitors of lipid metabolism can resolve hyperpigmentary conditions in a guinea pig UV-tanning model. Our study reveals rewiring of the metabolic circuit during melanogenesis, and fatty acid metabolism as a potential therapeutic target in a variety of cutaneous diseases manifesting hyperpigmentary phenotype.

}, issn = {1544-9173}, doi = {10.1371/journal.pbio.3001634}, author = {Sultan, Farina and Basu, Reelina and Murthy, Divya and Kochar, Manisha and Attri, Kuldeep S. and Aggarwal, Ayush and Kumari, Pooja and Dnyane, Pooja and Tanwar, Jyoti and Motiani, Rajender K. and Singh, Archana and Gadgil, Chetan and Bhavesh, Neel Sarovar and Singh, Pankaj K. and Natarajan, Vivek T. and Gokhale, Rajesh S.} } @article {46711, title = {Tetrazoloquinoline-1,2,3-triazole derivatives as antimicrobial agents: synthesis, biological evaluation and molecular docking study}, journal = {Polycyclic Aromatic Compounds}, volume = {42}, year = {2022}, month = {SEP}, pages = {1920-1941}, type = {Article}, abstract = {

In search of new active molecules, a small focused library of tetrazoloquinoline-based 1,2,3-triazoles has been efficiently preparedviaclick chemistry approach. Several derivatives were found to be exhibiting promising antimicrobial and antioxidant activity characterized by their lower minimum inhibitory concentration values. All the synthesized compounds exhibited excellent antibacterial activity against Gram negative bacteriaE. coliandF. devoransand antifungal activity againstC. albicansandA. niger. Further, these compounds were tested for their antitubercular activity against dormantMTB H37Raand dormantM. bovis BCGusing XRMA assay protocol and showed no significant activity. Also, the synthesized compounds were found to have potential antioxidant activity with IC(50)range = 12.48-50.20 mu g/mL. Furthermore, to rationalize the observed biological activity data, the molecular docking study also been carried out against the active site of fungalC. albicansenzyme P450 cytochrome lanosterol 14 alpha-demethylase, which revealed a significant correlation between the binding score and biological activity for these compounds. The results of thein vitroandin silicostudy suggest that the triazole-incorporated tetrazoloquinolines may possess the ideal structural requirements for further development of novel therapeutic agents.

}, keywords = {1, 2, 3-Triazole, ADME prediction, Antimicrobial, Antioxidant, Docking study}, issn = {1040-6638}, doi = {10.1080/10406638.2020.1821229}, author = {Shaikh, Mubarak H. and Subhedar, Dnyaneshwar D. and Akolkar, Satish V. and Nagargoje, Amol A. and Khedkar, Vijay M. and Sarkar, Dhiman and Shingate, Bapurao B.} } @article {48113, title = {Thallium(III) p-tosylate (TTS) mediated oxidative rearrangement of 2-naphthyl and 2-heteroarylchromanones}, journal = {Indian Journal of Chemistry}, volume = {61}, year = {2022}, month = {SEP}, pages = {923-927}, type = {Article}, abstract = {

A practical and effective approach towards the synthesis of 3-hetroaryl-4H-chromen-4-ones by the oxidative rearrangement of the respective 2-hetroaryl chroman-4-ones using thallium(III) p-tosylate is described. The oxidative rearrangement of alpha and beta-naphthyl and thiophene behave like aryl groups. However, pyridyl groups give only the dehydrogenated product.

}, keywords = {2-(3-pyridyl)chromones, 2-(4-pyridyl)chromones, 2-and 3-(2-theinyl)chromones, 2-and 3-(3-theinyl)chromones, 2-and 3-(?-naphthyl) chromones, Dehydrogenation, Oxidative rearrangements, thallium(III) acetate, thallium(III) p-tosylate}, issn = {0019-5103}, doi = {10.56042/ijc.v61i9.66341}, author = {Kurapati, Chidvilas and Muthukrishnan, M. and Singh, V. Om and Gundla, Rambabu} } @article {47675, title = {Thallium(III) p-tosylate-mediated oxidative [1,2] rearrangement of 2-naphthyl and 2-heteroarylchromanones}, journal = {Journal of Heterocyclic Chemistry}, volume = {59}, year = {2022}, month = {JAN}, pages = {172-177}, type = {Article}, abstract = {A practical and effective approach towards the synthesis of 3-heteroaryl-4H-chromen-4-ones by the oxidative [1,2] rearrangement of the respective 2-heteroaryl chroman-4-ones using thallium(III) p-tosylate is presented. The oxidative rearrangement of alpha- and beta-naphthyl and thiophene substituents behaves like aryl groups; However, pyridyl substituents gave only dehydrogenated products.}, issn = {0022-152X}, doi = {10.1002/jhet.4377}, author = {Kurapati, Chidvilas and Muthukrishnan, Murugan and Singh, V. Om and Gundla, Rambabu} } @article {47894, title = {Thermal and crystallization behaviour of polyphenylene sulfide in engineering polymer blends with HDPE}, journal = {International Polymer Processing}, volume = {2}, year = {2022}, month = {FEB }, pages = {53-58}, type = {Article}, abstract = {

The thermal and crystallization behaviour of polyphenylene sulfide (PPS) in its blends with high density polyethylene (HDPE) is reported. Three grades of HDPE ranging in MFI from 0.4 to 52 were used in the investigation. The effect of composition and molecular weight of HDPE on the crystallization process and morphology of PPS in the blends has been investigated by the technique of Differential Scanning Calorimetry (DSC). In the blends, PPS crystallizes in presence of molten HDPE. It is observed that the morphology of PPS in terms of crystallite size and crystallite size distribution in the blends is significantly affected by blending with HDPE. The temperature onset of melting was found to increase with increasing HDPE content and the melting peak width was found to decrease with increasing HDPE content. This indicates a larger crystallite size and a narrower crystallite size distribution of PPS in blends. The effect is more pronounced in HDPE-rich compositions. The extent of the variation in the temperature onset of melting and peak width were comparable for all the grades of HDPE. The degree of crystallinity of PPS in the blends is reduced significantly (55-70\%) in HDPE-rich blends. Therefore, it is concluded that the crystallization of PPS is affected by the presence of HDPE melt. The crystallization scans of PPS in the blends, obtained in the cooling mode, did not show any evidence of accelerated nucleation. On the other hand, a marginal reduction in the temperature onset of crystallization was observed. The temperature range of crystallization of PPS in the blends was found to be less for all compositions except for 90/10 (PPS/HDPE). In summary it is concluded that blending of HDPE with PPS influences the crystal growth of PPS significantly although the effect on its homogeneous nucleation is also considerable. As a result, the morphology of PPS crystallized in blends is different from that of the homopolymer. The changes in the morphology of PPS are not sensitive to the molecular weight of HDPE probably because of the high temperature of PPS crystallization relative to the melting point of HDPE.

}, issn = {0930-777X}, doi = {10.1515/ipp-1987-0019}, author = {Nadkarni, V. M. and Shingankuli, V. L. and Jog, J. P.} } @article {47771, title = {Thermodynamics and its correlation with dynamics in a mean-field model and pinned systems: a comparative study using two different methods of entropy calculation}, journal = {Journal of Chemical Physics}, volume = {156}, year = {2022}, month = {JAN }, pages = {014503}, type = {Article}, abstract = {A recent study introduced a novel mean-field model system where each particle over and above the interaction with its regular neighbors interacts with k extra pseudo-neighbors. Here, we present an extensive study of thermodynamics and its correlation with the dynamics of this system. We surprisingly find that the well-known thermodynamic integration (TI) method of calculating the entropy provides unphysical results. It predicts vanishing of the configurational entropy at temperatures close to the onset temperature of the system and negative values of the configurational entropy at lower temperatures. Interestingly, well below the temperature at which the configurational entropy vanishes, both the collective and the single-particle dynamics of the system show complete relaxation. Negative values of the configurational entropy are unphysical, and complete relaxation when the configurational entropy is zero violates the prediction of the random first-order transition theory (RFOT). However, the entropy calculated using the two-phase thermodynamics (2PT) method remains positive at all temperatures for which we can equilibrate the system, and its values are consistent with RFOT predictions. We find that with an increase in k, the difference in the entropy computed using the two methods increases. A similar effect is also observed for a system where a randomly selected fraction of the particles are pinned in their positions in the equilibrated liquid. We show that the difference in entropy calculated via the 2PT and TI methods increases with pinning density.}, issn = {0021-9606}, doi = {10.1063/5.0065668}, author = {Nandi, Ujjwal Kumar and Patel, Palak and Moid, Mohd and Nandi, Manoj Kumar and Sengupta, Shiladitya and Karmakar, Smarajit and Maiti, Prabal K. and Dasgupta, Chandan and Bhattacharyya, Sarika Maitra} } @article {48033, title = {Thiocyanate- and thiol-functionalized p-doped quantum dot colloids for the development of bulk homojunction solar cells}, journal = {Energy Technology}, volume = {10}, year = {2022}, month = {SEP}, pages = {2200455}, type = {Article}, abstract = {

Progress in device engineering and surface passivation strategies has led to steady progress in colloidal quantum dot (QD) solar cells. Bulk homojunction (BHJ) device architecture has several advantages over the conventional planar junction in developing QD solar cells. Herein, surface ligand chemistry is utilized to control the doping type and dispersibility of oppositely doped PbS QDs to develop BHJ solar cells. Thiocyanate and thiol ligand combination is introduced to develop p-PbS QD ink, which is blended with halide-passivated n-PbS QDs to build BHJ solar cells. It is shown that BHJ solar cells are benefited from high energy offset and higher hole mobility. This leads to the superior carrier extraction from a thicker active layer without compromising fill factor and open circuit voltage. Power conversion efficiency has reached 10.7\% in 530 nm-thick BHJ solar cells, a 24\% improvement over the best performing planar solar cells. With the help of the 1D solar cell capacitance simulator, it is shown that a 15\% efficient QD solar cell can be realized by further improving the hole mobility above 0.1 cm(2) V-1 s(-1).

}, keywords = {bulk homojunctions, Doping, quantum dots, solar cells, surface functionalization}, issn = {2194-4288}, doi = {10.1002/ente.202200455}, author = {Dambhare, V. Neha and Sharma, Ashish and Mahajan, Chandan and Rath, Arup K.} } @article {48390, title = {Toughening poly(l-lactide) blends: effectiveness of sequence-controlled six-arm star-branched block copolymers of poly(L-lactide) and poly(epsilon-caprolactone)}, journal = {ACS Omega}, volume = {7}, year = {2022}, month = {MAR}, pages = {9118-9129}, type = {Article}, abstract = {

Well-defined six-arm star-branched bio-degradable block copolymers of L-lactide and epsilon-caprolactone were prepared using controlled ring-opening polymerization and a sequential monomer addition method using dipentaerythritol as the initiator core and organocatalysts at low temperatures in solution. Sequence of enchainment was changed by reversing the order of monomer addition giving, either, a crystalline PLA block or an amorphous PCL block as the outer segment. Well-defined six-arm poly(epsilon-caprolactone-b-L-lactide, 6s-PCL-b-PLA) block copolymers were obtained with a range of segment molecular weights. However, in the case of six-arm poly(L-lactide-b-epsilon-caprolactone, 6s-PLA-b-PCL), disruption of the block structure was observed on account of competing transesterification reactions accompanying a chain-growth reaction. Such sequence-controlled block copolymers showed interesting phase morphologies, as evidenced by differential scanning calorimetry (DSC) studies. 6s-PCL-b-PLA showed two glass-transition temperatures and two melting temperatures characteristic of the amorphous and crystalline blocks. 6s-PCL-b-PLA and 6s-PLA-b-PCL with different segment chain lengths were solution blended (10 wt \%) with a commercially sourced PLA. All the blends were highly transparent. The structure and properties of the blend were examined by DSC, measurement of mechanical properties, and scanning electron microscopy. The results show that a phase-separated 6s-PCL-b-PLA copolymer results in two- to three-fold improvement in tensile toughness without the loss of modulus. A possible hypothesis for the mechanism of tensile toughness in the blend has been proposed.

}, issn = {2470-1343}, doi = {10.1021/acsomega.1c04486}, author = {Deokar, Megha D. and Garnaik, Baijayantimala and Sivaram, Swaminathan} } @article {48153, title = {Trap inlaid cationic hybrid composite material for efficient segregation of toxic chemicals from water (vol 61, e202203385, 2022)}, journal = {Angewandte Chemie-International Edition}, volume = {61}, year = {2022}, month = {OCT}, pages = {e202212921}, type = {Correction}, issn = {1433-7851}, doi = {10.1002/anie.202212921}, author = {Fajal, Sahel and Mandal, Writakshi and Mollick, Samraj and More, Yogeshwer D. and Torris, Arun and Saurabh, Satyam and Shirolkar, Mandar M. and Ghosh, Sujit K.} } @article {48144, title = {Trap inlaid cationic hybrid composite material for efficient segregation of toxic chemicals from water}, journal = {Angewandte Chemie-International Edition}, volume = {61}, year = {2022}, month = {AUG }, pages = {e202203385}, type = {Article}, abstract = {

Metal-based oxoanions are potentially toxic pollutants that can cause serious water pollution. Therefore, the segregation of such species has recently received significant research attention. Even though several adsorbents have been employed for effective management of chemicals, their limited microporous nature along with non-monolithic applicability has thwarted their large-scale real-time application. Herein, we developed a unique anion exchangeable hybrid composite aerogel material (IPcomp-6), integrating a stable cationic metal-organic polyhedron with a hierarchically porous metal-organic gel. The composite scavenger demonstrated a highly selective and very fast segregation efficiency for various hazardous oxoanions such as, HAsO42-, SeO42-, ReO4-, CrO42-, MnO4-, in water, in the presence of 100-fold excess of other coexisting anions. The material was able to selectively eliminate trace HAsO42- even at low concentration to well below the As-v limit in drinking water defined by WHO.

}, keywords = {Aerogel, Chemical Separation, Hybrid composite, Metal-Organic Gel, Metal-Organic Polyhedra}, issn = {1433-7851}, doi = {10.1002/anie.202203385}, author = {Fajal, Sahel and Mandal, Writakshi and Mollick, Samraj and More, Yogeshwer D. and Torris, Arun and Saurabh, Satyam and Shirolkar, Mandar M. and Ghosh, Sujit K.} } @article {48051, title = {Tridentate NacNac stabilized tin and nickel complexes: access to a monomeric nickel hydride and its catalytic application}, journal = {Inorganic Chemistry}, volume = {61}, year = {2022}, month = {OCT}, pages = {17370-17377}, type = {Article}, abstract = {

The transmetalation reaction of picolyl-supported tridentate nacnac germylene monochloride [2,6-iPr2-C6H3NC-(Me)CHC(Me)NH(CH2py)]GeCl (1) (py = pyridine) with SnCl2 results in an analogous stannylene chloride (2). The three -coordinated stannylenium cation [{2,6-iPr2-C6H3NC(Me)CHC-(Me)NH(CH2py)}Sn]+ with SnCl3- as a counteranion (3) has been generated through the abstraction of chloride ligand from 2 using an additional equivalent of SnCl2. Instead of forming a donor-acceptor complex, 2 undergoes a facile redox trans-metalation reaction with Ni(COD)2 (COD = cyclooctadiene) and CuCl to afford analogous nickel and copper complexes [2,6-iPr2-C6H3NC(Me)CHC(Me)NH(CH2py)]MCl [M = Ni (4) and Cu (5)]. The reactions of 4 with potassium tri-sec-butylborohydride (commonly known as K-selectride) and AgSbF6 provide access to monomeric Ni(II) hydride, [2,6-iPr2-C6H3NC(Me)CHC(Me)NH(CH2py)]NiH (6) and a Ni(II) cation, [{2,6-iPr2- C6H3NC(Me)CHC(Me)NH(CH2py)}Ni][SbF6] (7), respectively. 6 was found to be an effective catalyst for the hydroboration of amides.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c03227}, author = {Pahar, Sanjukta and Sharma, Vishal and Mahata, Biplab and George, Christy P. and Sharma, Himanshu and Vanka, Kumar and Sen, Sakya S.} } @article {48385, title = {Tryptophan-cardanol fluorescent nanoparticles inhibit alpha-synuclein aggregation and disrupt amyloid fibrils}, journal = {Journal of Peptide Science}, volume = {28}, year = {2022}, month = {APR}, pages = {e3374}, type = {Article}, abstract = {

Protein misfolding and aggregation play a vital role in several human diseases such as Parkinson{\textquoteright}s, Alzheimer{\textquoteright}s, and prion diseases. The development of nanoparticles that modulate aggregation could be potential drug candidates for these neurodegenerative disorders. Parkinson{\textquoteright}s disease pathogenesis is closely associated with the accumulation of alpha-synuclein oligomers and fibrils in the substantia nigra of the brain. This report discusses the interactions of novel tryptophan-cardanol nanoparticles with alpha-synuclein protein monomers and fibrils. These nanoparticles could effectively disrupt alpha-synuclein fibrils and inhibit fibril formation at low concentrations such as 5 mu M. The tryptophan-cardanol nanoparticles inhibit fibril formation from unstructured protein resulting in spherical nanostructures. These nanoparticles could also disassemble amyloid fibrils; the complete disappearance of fibrils was evident after 48 h of incubation with tryptophan-cardanol. The transmission electron microscopy (TEM) micrographs after the incubation did not show any remnants of the peptide aggregates or oligomers. The thioflavin T fluorescence after the disassembly was diminished compared with that of fibrils also supports the inhibitory effect of the nanoparticles. Also, these nanoparticles did not reduce the viability of the SH-SY5Y cells. These findings suggest that the tryptophan-cardanol nanoparticles showed sufficiently high inhibitory activity and may have therapeutic potential for synucleinopathies.

}, keywords = {alpha-synuclein, amyloid fibrils, Cardanol, inhibitors, Tryptophan}, issn = {1075-2617}, doi = {10.1002/psc.3374}, author = {Sunny, Lisni P. and Srikanth, Priya and Sunitha, Anju Kunhiraman and Tembulkar, Niyoti and Abraham, Jancy Nixon} } @article {48047, title = {Tuning of work function of ZnO by doping and co-doping: an investigation using X-ray photoelectron spectroscopy}, journal = {Thin Solid Films}, volume = {761}, year = {2022}, month = {NOV}, pages = {139538}, type = {Article}, abstract = {

The shift in the work function of the ZnO thin film upon varying codoping ratio has been investigated by X-ray photoelectron spectroscopy. A notable shift of 0.2 eV in the work function was achieved in the films when the Al: In doping ratio was changed from 0:10 to 10:0. The elemental composition of the dopants obtained from XPS analysis showed the presence of more amount of In dopant than Al in codoped ZnO films. In this way a clear understanding of the variation in electrical properties on dopant ratio is obtained. A decrease in work function was also observed with the increase in free carrier concentration when the codopant ratio is changed. The effects of Burstein moss, band narrowing, and band renormalization observed in the bandgap were explained by an upward and downward shift of valence band maxima of the corresponding thin films. The controllable work function of the codoped ZnO films by varying the doping ratio offers excellent potential advantages in optoelectronic devices.

}, keywords = {Indium -Aluminum co -doping, Spray coating, thin film, Work function, X-ray photoelectron spectroscopy, Zinc oxide}, issn = {0040-6090}, doi = {10.1016/j.tsf.2022.139538}, author = {Soumya, K. and Selvam, I. Packia and Vinod, C. P. and Potty, S. N.} } @article {48181, title = {Tuning the hybridization and charge polarization in metal nanoparticles dispersed over Schiff base functionalized SBA-15 enhances CO2 capture and conversion to formic acid}, journal = {Journal of Materials Chemistry A}, volume = {10}, year = {2022}, month = {SEP}, pages = {18354-18362}, type = {Article}, abstract = {

Different Schiff base functionalized SBA-15 materials were synthesized through condensation reactions between 3-aminopropyltriethoxysilane (APTES) and different aldehydes (glutaraldehyde and butyraldehyde) over a mesoporous silica, SBA-15 (APTES-GLU/SBA-15 and APTES-BUT/SBA-15). Both static and dynamic experiments have been used for testing the CO2 capture efficiency of these materials. The hybridization of the N atom in APTES has been tuned from sp(3) to sp(2) upon condensation facilitating optimum CO2 capture in the direct synthesis of APTES-GLU/SBA-15. The undesirable oxides of nitrogen have been removed during the synthesis process to improve the CO2 capture efficiency. These materials were employed as supports for Pd-Ag and Pd-Ni bimetallic systems for the selective conversion of the captured CO2 to formic acid (FA) in 0.5 M KHCO3 solution. The Pd-Ni catalyst system exhibited enhanced CO2 to FA conversion activity compared to other heterogeneous systems, which is similar to 4 times better than that of the Pd-Ag system in this study. The X-ray absorption studies over the catalyst material confirmed that the relatively electron-deficient Ni in Pd-Ni compared to Ag in Pd-Ag favoured higher charge polarization between the metals in the Pd-Ni system enhancing the CO2 to FA conversion. The experimental observations are well supported by the DFT calculations.

}, issn = {2050-7488}, doi = {10.1039/d2ta03690h}, author = {Cherevotan, Arjun and Ray, Bitan and Yadav, Anish and Bagchi, Debabrata and Singh, Ashutosh Kumar and Riyaz, Mohd and Churipard, Sathyapal R. and Naral, Vinay and Kaur, Komalpreet and Gautam, Ujjal K. and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {47040, title = {Two antibacterial spiro compounds from the roots of Artemisia pallens wall: evidence from molecular docking}, journal = {Natural Product Research}, volume = {36}, year = {2022}, month = {MAY}, pages = {2465-2472}, type = {Article}, abstract = {

Bioassay-guided isolation from acetone extract of the roots of Artemisia pallens Wall yielded two spiro compounds (1 and 2). The structures of these compounds were determined on the basis of spectroscopic techniques such as IR, MS, 1 D and 2 D- NMR. The acetone extract, fractions and the isolated two compounds were investigated for their antibacterial activity against two gram negative (E. coli, P. aeruginosa) and two gram positive (S. aureus, B. subtilis) bacterial strains. Compound (2) showed the best spectra of activity with IC50 and MIC values between 2.48-3.08 and 12.78 - 21.77 mu M and Compound (1) with 2.57-3.69 and 38.17 - 80.57 mu M, respectively, for the four bacterial strains, whereas inactive against Mycobacterium tuberculosis. Molecular docking study could further help in understanding the various interactions between these compounds and DNA gyrase active site in detail and thereby could provide valuable insight into the mechanism of action.

}, keywords = {antibacterial activity, antimycobacterial activity, Artemisia pallens, Asteraceae, Molecular docking, spiro compound}, issn = {1478-6419}, doi = {10.1080/14786419.2021.1902325}, author = {Honmore, Varsha S. and Natu, Arun D. and Khedkar, Vijay M. and Arkile, Manisha A. and Sarkar, Dhiman and Rojatkar, Supada R.} } @article {48413, title = {Ultrahigh capacitance of NiCo2O4/CeO2 mixed metal oxide material for supercapacitor applications}, journal = {Journal of Alloys and Compounds}, volume = {899}, year = {2022}, month = {APR}, pages = {163312}, type = {Article}, abstract = {

Pertaining to research on energy consumption and energy storage systems, new and efficient mixed metal oxides of NiCo2O4/CeO2 as pseudo-capacitor materials have been successfully prepared by sol-gel combustion method. The synthesized unique spinel nanomaterials have been analyzed for structural and morphological characterization by FT-IR, XRD, XPS and electron microscopy techniques. The mesoporous structure and large specific surface area of the synthesized nanomaterials provide an easy channel for ion mobility rendering an effortless redox process at the electrode electrolyte interface. As a consequence, it is observed that NiCo2O4 mixed with 10\% of CeO2 exhibits an excellent specific capacitance of 1355 Fg(-1) at 5 Ag-1 along with a high cycling stability with only 4.7\% capacity loss at the end of 6000 cycles at a charge-discharge current density of 10 Ag-1. The results obtained are in par with some of the recent electrode materials used for supercapacitors suggesting the possible employment of NiCo2O4/CeO2 mixed metal oxides in energy storage applications. (C) 2021 Elsevier B.V. All rights reserved.

}, keywords = {Charge-discharge, cyclic voltammetry, NiCo2O4/CeO2, specific capacitance, supercapacitor}, issn = {0925-8388}, doi = {10.1016/j.jallcom.2021.163312}, author = {Santhosh, G. and Nayaka, G. P. and Bhatt, Aarti S.} } @article {47829, title = {Ultrathin twisty PdNi alloy nanowires as highly active ORR electrocatalysts exhibiting morphology-induced durability over 200 K cycles}, journal = {Nano Letters}, volume = {22}, year = {2022}, month = {JAN}, pages = {246-254}, type = {Article}, abstract = {Even though the anion exchange membrane fuel cells have many advantages, the stability of their electrocatalysts for oxygen reduction reaction (ORR) has remained remarkably poor. We report here on the ultrathin twisty PdNi-alloy nanowires (NWs) exhibiting a very low reaction overpotential with an E1/2 \~{} 0.95 V versus RHE in alkaline media maintained over 200 K cycles, the highest ever recorded for an electrocatalyst. The mass activity of the used NWs is >10 times higher than fresh commercial Pt/C. Therein, Ni improves the Pd d-band center for a more efficient ORR, and its leaching continuously regenerates the surface active sites. The twisty nanowire morphology imparts multiple anchor points on the electrode surface to arrest their detachment or coalescence and extra stability from self-entanglement. The significance of the NW morphology was further confirmed from the high-temperature durability studies. The study demonstrates that tailoring the number of contact points to the electrode-surface may help realize commercial-grade stability in the highly active electrocatalysts.}, doi = {10.1021/acs.nanolett.1c03704}, author = {Sahoo, Lipipuspa and Garg, Reeya and Kaur, Komalpreet and Vinod, C. P. and Gautam, Ujjal K.} } @article {48200, title = {Unravelling faradaic electrochemical efficiencies over Fe/Co spinel metal oxides using surface spectroscopy and microscopy techniques}, journal = {Nanoscale}, volume = {14}, year = {2022}, month = {NOV }, pages = {15928-15941}, type = {Article}, abstract = {

Cobalt and iron metal-based oxide catalysts play a significant role in energy devices. To unravel some interesting parameters, we have synthesized metal oxides of cobalt and iron (i.e. Fe2O3, Co3O4, Co2FeO4 and CoFe2O4), and measured the effect of the valence band structure, morphology, size and defects in the nanoparticles towards the electrocatalytic hydrogen evolution reaction (HER), the oxygen evolution reaction (OER) and the oxygen reduction reaction (ORR). The compositional variations in the cobalt and iron precursors significantly alter the particle size from 60 to \<10 nm and simultaneously the shape of the particles (cubic and spherical). The Tauc plot obtained from the solution phase ultraviolet (UV) spectra of the nanoparticles showed band gaps of 2.2, 2.3, 2.5 and 2.8 eV for Fe2O3, Co3O4, Co2FeO4 and CoFe2O4, respectively. Further, the valence band structure and work function analysis using ultraviolet photoelectron spectroscopy (UPS) and core level X-ray photoelectron spectroscopy (XPS) analyses provided better structural insight into metal oxide catalysts. In the Co3O4 system, the valence band structure favors the HER and Fe2O3 favors the OER. The composites Co2FeO4 and CoFe2O4 show a significant change in their core level (O 1s, Co 2p and Fe 2p spectra) and valence band structure. Co3O4 shows an overpotential of 370 mV against 416 mV for Fe2O3 at a current density of 2 mA cm(-2) for the HER. Similarly, Fe2O3 shows an overpotential of 410 mV against the 435 mV for Co3O4 at a current density of 10 mA cm(-2) for the OER. However, for the ORR, Co3O4 shows 70 mV improvement in the half-wave potential against Fe2O3. The composites (Co2FeO4 and CoFe2O4) display better performance compared to their respective parent oxide systems (i.e., Co3O4 and Fe2O3, respectively) in terms of the ORR half-wave potential, which can be attributed to the presence of the oxygen vacancies over the surface in these systems. This was further corroborated in density functional theory (DFT) simulations, wherein the oxygen vacancy formation on the surface of CoFe2O4(001) was calculated to be significantly lower (similar to 50 kJ mol(-1)) compared to Co3O4 (001). The band diagram of the nanoparticles constructed from the various spectroscopic measurements with work function and band gap provides in-depth understanding of the electrocatalytic process.

}, issn = {2040-3364}, doi = {10.1039/d2nr04170g}, author = {Kashyap, Varchaswal and Pandikassala, Ajmal and Singla, Gourav and Khan, Tuhin Suvra and Haider, M. Ali and Vinod, C. P. and Kurungot, Sreekumar} } @article {48162, title = {Versatile chemistry of six-membered NHC with boranes: bromination at sp(3) borane, activation of the B-H bond of HBpin, and ring expansion of NHC}, journal = {Dalton Transactions}, volume = {51}, year = {2022}, month = {OCT}, pages = {14452-14457}, type = {Article}, abstract = {

The NHC.borane chemistry has been majorly restricted to imidazol-2-ylidene classes of carbenes. In our previous communication, we reported the synthesis of 6-SIDipp center dot BH3 [6-SIDipp = 1,3-di(2,6-diisopropylphenyl) tetrahydropyrimidine-2-ylidene] and its electrophilic substitution reaction with iodine. Here, we have shown selective bromination of a 6-SIDipp stabilized sp(3) B-H bond. Treatment of 1.2 equivalents of N-bromosuccinamide with 6-SIDipp center dot BH3 gives a mixture of mono- and disubstituted products 6-SIDipp center dot BH2Br (1) and 6-SIDipp center dot BHBr2 (2). However, the reactions with alkyl bromides or carbon tetrabromide resulted in 6-SIDipp center dot BH2Br (1) selectively. Exploration of the chemistry of 6-SIDipp with BHCl2 and 9-BBN (9-borabicyclo[3.3.1]nonane) led to mono-6-SIDipp adducts 3 and 6a. Furthermore, 6a undergoes ring expansion to afford a seven-membered product, 6b, under mild conditions. Unlike BHCl2 or 9-BBN, the B-H bond of HBpin undergoes oxidative addition upon reaction with 6-SIDipp, epitomizing the first example (7) of a B-H bond insertion at NHCs. The analogous reactivity with HBcat led to a tetra-hydropyrimidinium salt with B(cat)(2) as a counteranion (8).

}, issn = {1477-9226}, doi = {10.1039/d2dt01707e}, author = {Kundu, Gargi and Dixit, Ruchi and Tothadi, Srinu and Vanka, Kumar and Sen, Sakya S.} } @article {48436, title = {Viscoelastic liquid from regenerated silk fibroin in the silk i conformation: a writeable and shapeable material}, journal = {ACS Applied Polymer Materials}, volume = {4}, year = {2022}, month = {JUN}, pages = {4699{\textendash}4708}, type = {Article}, abstract = {

Regenerated silk fibroin (RSF) has acquired enormous attention because of its exceptional toughness, strength, and biocompatible nature. These properties make RSF a potential candidate for the fabrication of different types of materials. However, processing even a dilute aqueous solution of RSF leads to a conformational transformation from a random coil/helix-rich (silk I) to a beta-sheetrich (silk II) state. As a consequence, RSF tends to form aggregates and loses its toughness. Working in a direction to address this problem, an aqueous solution of regenerated silk fibroin has been modified with a dual layer of polyethylenimine (PEI) and a PEG-based polymer surfactant (PS). Upon freeze-drying, the RSF-polymer complex forms a solvent-free RSF bioconjugate system and exhibits a soft solid to liquid melting transition at similar to 45 degrees C. The sequential modification with PEI and PS preserves the native-like random coil conformation of RSF up to at least 8 months of storage by not allowing interchain interactions that can lead to aggregation. Rheological and small-angle X-ray scattering measurements show that the solvent-free system is viscoelastic and exhibits a higher order microstructure mediated by the packing of the PS chains, respectively. Temperature-dependent soft solid-liquid-like dual behavior offers applications in injection-based writing, compression molding, and shaping RSF bioconjugates into various types of geometries. Furthermore, the mechanical properties of the RSF bioconjugate system can be modulated by crosslinking with glutaraldehyde vapor at 50 degrees C.

}, keywords = {RSF liquid, RSF soft solid, silk I conformation, silk liquid, viscoelastic}, issn = {2637-6105}, doi = {10.1021/acsapm.2c00290}, author = {Kumar, Raj and Joseph, Emmanuel and Chaudhari, Atul and Nisal, Anuya and Sharma, Kamendra P.} } @article {48078, title = {Visible light-promoted, photocatalyst-free C(sp(2))-H bond functionalization of indolizines via EDA complexes}, journal = {European Journal of Organic Chemistry}, volume = {2022}, year = {2022}, month = {MAY}, pages = {e202200261}, type = {Article}, abstract = {

The catalyst and additive-free, photo-driven cross dehydrogenative coupling (CDC) reaction initiated by electron donor-acceptor (EDA) complexes between electron rich indolizines and electron poor quinones has been demonstrated. This green transformation reveals the advantages of operational simplicity, mild reaction conditions and good functional group tolerances.

}, keywords = {Blue LED, CDC, EDA, Indolizine, Quinone}, issn = {1434-193X}, doi = {10.1002/ejoc.202200261}, author = {Mane, Kishor D. and Rupanawar, Bapurao D. and Suryavanshi, Gurunath} } @article {48140, title = {Wearable fabric supercapacitors based on CNTs and polyhedral ZnO with a wide potential window}, journal = {International Journal of Energy Research}, volume = {46}, year = {2022}, month = {MAY}, pages = {8186-8200}, type = {Article}, abstract = {

Wearable electronic devices such as health monitors, sensors, and e-skin can be powered by lightweight, high-power supercapacitors. Using a binder-free and low-temperature hydrothermal method, polyhedral ZnO nanoparticles were grown on carbon nanotube (CNT)-decorated cotton fabric, which is friendly to human skin and highly wearable, inexpensive, and thus commercially viable. The concentration of the starting material, zinc acetate, was varied to optimize the electrochemical performance. The evenly spaced polyhedral ZnO facilitated efficient permeation of the electrolyte into the active material. The fabric filaments were decorated with CNTs to enhance electron transfer and the overall electrochemical processes. The symmetric cell comprised of cotton fabric decorated with ZnO polyhedron/CNT showed no discernible change in the cyclic voltammetry curves even after 500 bending cycles, demonstrating the mechanical durability of the electrode. The potential window of 1.6 V using a Na2SO4/K2SO4 aqueous dual-ion electrolyte improved the long-term electrochemical stability and increased the energy storage capacity. The capacitance retention was 94\% after 5000 cycles at a current density of 1 A center dot g(-1), indicating long-term electrochemical stability. A specific capacitance of 375 F center dot g(-1) at a current density of 5 A center dot g(-1) and energy density of 33.3 Wh center dot kg(-1) at a power density of 2000 W center dot kg(-1) were recorded for the optimized electrode. Highlights Polyhedral ZnO was grown on cotton fabric using a hydrothermal process. The electrochemical performance was optimized by varying the zinc acetate concentration. The highest specific capacitance was 375 F center dot g(-1) at a current density of 5 A center dot g(-1). Under optimal conditions, the capacitance retention was 94\% at N = 5000 cycles. The energy density of the electrode was as high as 33.3 Wh center dot kg(-1).

}, keywords = {carbon nanotube, Cotton fabric, hydrothermal process, wearable supercapacitor, ZnO polyhedron}, issn = {0363-907X}, doi = {10.1002/er.7720}, author = {Samuel, Edmund and Joshi, Bhavana and Park, Chanwoo and Aldalbahi, Ali and El-Newehy, Mohamed and Lee, Hae-Seok and Yoon, Sam S.} } @article {48032, title = {Well-defined calcium compound catalyzes trimerization of arylisocyanates into 1,3,5-triarylisocyanurates}, journal = {ChemCatChem}, volume = {14}, year = {2022}, month = {JUN }, pages = {e202101788}, type = {Article}, abstract = {

We report the synthesis of a calcium complex (2) bearing a tetradentate monoanionic ligand with a diaminoethane core and phenolate and pyridine peripheral donors. Single crystal X-ray studies on 2 revealed that LiI was also co-crystallized, leading to a four-membered ring with four different elements. 2 was found to be an efficient catalyst for the cyclotrimerization of a variety of aromatic isocyanates under mild conditions.

}, keywords = {calcium, Cyclotrimerization, Isocyanurates, Tetradentate ligand}, issn = {1867-3880}, doi = {10.1002/cctc.202101788}, author = {Kumar, Rohit and Sharma, Vishal and Jain, Shailja and Sharma, Himanshu and Vanka, Kumar and Sen, Sakya S.} } @article {48196, title = {Well-defined hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst for superior water oxidation}, journal = {Sustainable Energy \& Fuels}, volume = {6}, year = {2022}, month = {DEC}, pages = {5491-5502}, type = {Article}, abstract = {

The development of a robust and efficient electrocatalyst for water oxidation is challenging due to the large overpotential requirement to transfer four electrons. Herein, a novel spinel-type hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst was synthesized through the facile solvothermal process and evaluated for the challenging and demanding oxygen evolution reaction (OER) in the water electrolysis process. The teddy bear sunflower-like NiCo2O4 supported on nickel foam (NF) delivers a current density of 50 mA cm(-2) at a small water oxidation overpotential (eta(50) = 319 mV) which is significantly lower than that of the corresponding spherical NiO/NF (eta(50) = 338 mV), and sea-urchin like Co3O4/NF (eta(50) = 357 mV). A large specific and electroactive surface area, as well as a high TOF value exhibited by the hierarchical teddy bear sunflower-like NiCo2O4 electrocatalyst, demonstrates the potential of NiCo2O4 to catalyze the water oxidation reaction efficiently. The impact of the near-Fermi-level d-orbital states in NiCo2O4 electrocatalyst for boosting OER activity was unveiled by the density functional theory calculation. The stable performance even after 16 h and high catalyst utilization of the hierarchical teddy bear sunflower-like NiCo2O4 through the OER indicates that the catalyst is highly suitable for the large-scale water oxidation process.

}, issn = {2398-4902}, doi = {10.1039/d2se01111e}, author = {Bodhankar, Pradnya M. M. and Dhawale, Dattatray S. S. and Giddey, Sarbjit and Kumar, Ravi and Sarawade, Pradip B. B.} } @article {48335, title = {2D layered nanomaterials as fillers in polymer composite electrolytes for lithium batteries}, journal = {Advanced Energy Materials}, volume = {13}, year = {2023}, month = {APR}, type = {Review}, abstract = {

Polymer composite electrolytes (PCEs), i.e., materials combining the disciplines of polymer chemistry, inorganic chemistry, and electrochemistry, have received tremendous attention within academia and industry for lithium-based battery applications. While PCEs often comprise 3D micro- or nanoparticles, this review thoroughly summarizes the prospects of 2D layered inorganic, organic, and hybrid nanomaterials as active (ion conductive) or passive (nonion conductive) fillers in PCEs. The synthetic inorganic nanofillers covered here include graphene oxide, boron nitride, transition metal chalcogenides, phosphorene, and MXenes. Furthermore, the use of naturally occurring 2D layered clay minerals, such as layered double hydroxides and silicates, in PCEs is also thoroughly detailed considering their impact on battery cell performance. Despite the dominance of 2D layered inorganic materials, their organic and hybrid counterparts, such as 2D covalent organic frameworks and 2D metal-organic frameworks are also identified as tuneable nanofillers for use in PCE. Hence, this review gives an overview of the plethora of options available for the selective development of both the 2D layered nanofillers and resulting PCEs, which can revolutionize the field of polymer-based solid-state electrolytes and their implementation in lithium and post-lithium batteries.

}, keywords = {2D materials, clay minerals, covalent organic frameworks, metal-organic frameworks, MXene, polymer composite electrolyte, solid-state batteries}, issn = {1614-6832}, doi = {10.1002/aenm.202203326}, author = {Vijayakumar, Vidyanand and Ghosh, Meena and Asokan, Kiran and Sukumaran, Santhosh Babu and Kurungot, Sreekumar and Mindemark, Jonas and Brandell, Daniel and Winter, Martin and Nair, Jijeesh Ravi} } @article {48827, title = {3D-printed polymer composite devices based on a ferroelectric chiral ammonium salt for high-performance piezoelectric energy harvesting}, journal = {Materials Horizons}, volume = {10}, year = {2023}, month = {JUL}, pages = {3153-3161}, type = {Article}, abstract = {

Three-dimensional printing (3DP) is an emerging technology to fabricate complex architectures, necessary to realize state-of-the-art flexible and wearable electronic devices. In this regard, top-performing devices containing organic ferro- and piezoelectric compounds are desired to circumvent significant shortcomings of conventional piezoceramics, e.g. toxicity and high-temperature device processibility. Herein, we report on a 3D-printed composite of a chiral ferroelectric organic salt {[Me3CCH(Me)NH3][BF4]} (1) with a biodegradable polycaprolactone (PCL) polymer that serves as a highly efficient piezoelectric nanogenerator (PENG). The ferroelectric property of 1 originates from its polar tetragonal space group P4(2), verified by P-E loop measurements. The ferroelectric domain characteristics of 1 were further probed by piezoresponse force microscopy (PFM), which gave characteristic {\textquoteleft}butterfly{\textquoteright} and hysteresis loops. The PFM amplitude vs. drive voltage measurements gave a relatively high magnitude of the converse piezoelectric coefficient for 1. PCL polymer composites with various weight percentages (wt\%) of 1 were prepared and subjected to piezoelectric energy harvesting tests, which gave a maximum open-circuit voltage of 36.2 V and a power density of 48.1 mu W cm(-2) for the 10 wt\% 1-PCL champion device. Furthermore, a gyroid-shaped 3D-printed 10 wt\% 1-PCL composite was fabricated to test its practical utility, which gave an excellent output voltage of 41 V and a power density of 56.8 mu W cm(-2). These studies promise the potential of simple organic compounds for building PENG devices using advanced manufacturing technologies.

}, issn = {2051-6347}, doi = {10.1039/d3mh00444a}, author = {Sahoo, Supriya and Kothavade, Premkumar Anil and Naphade, Dipti R. and Torris, Arun and Praveenkumar, Balu and Zareba, Jan K. and Anthopoulos, Thomas D. and Shanmuganathan, Kadhiravan and Boomishankar, Ramamoorthy} } @article {48317, title = {Accelerated Rauhut-Currier dimerization enabled the synthesis of (+/-)-incarvilleatone and anticancer studies}, journal = {Beilstein Journal of Organic Chemistry}, volume = {19}, year = {2023}, month = {FEB}, pages = {204-211}, type = {Article}, abstract = {

The total synthesis of racemic incarvilleatone has been achieved by utilizing unexplored accelerated Rauhut-Currier (RC) dimeriza-tion. The other key steps of the synthesis are oxa-Michael and aldol reactions in a tandem sequence. Racemic incarvilleatone was separated by chiral HPLC and the configuration of each enantiomer was determined by single-crystal X-ray analysis. In addition, a one-pot synthesis of (+/-)-incarviditone has been achieved from rac-rengyolone by using KHMDS as a base. We have also assessed the anticancer activity of all the synthesized compounds in breast cancer cells nonetheless, they exhibited very limited growth suppression activity.

}, keywords = {dimerization, incarviditone, incarvilleatone, oxa-Michael, Rauhut-Currier}, issn = {1860-5397}, doi = {10.3762/bjoc.19.19}, author = {Kotammagari, Tharun K. and Misra, Sweta and Paul, Sayantan and Kunte, Sunita and Gonnade, Rajesh G. and Santra, Manas K. and Bhattacharya, Asish K.} } @article {48753, title = {Activation of the olefinic C-H bond of NHC and NHO by perimidine-based silicon and germanium compounds}, journal = {Organometallics}, volume = {42}, year = {2023}, month = {JUL}, pages = {1909-1917}, type = {Article}, abstract = {

In this manuscript, several backbonegermylene-functionalized zwitterioniccompounds were prepared conveniently from the corresponding N-heterocycliccarbenes or N-heterocyclic olefins in a single step through backboneC-H activation. Our initial motivation was to generate a silylenefrom C10H6(Me3SiN)(2)SiHCl(2) using ItBu [ItBu= (1,3-ditert-butyl)imidazol-2-ylidene], but instead, the reactionled to deprotonation from the imidazolium backbone of ItBu, forming the imidazolium salt with a silyl backbone at the C4position (3). We presumed that the reaction proceededthrough the generation of an ephemeral silylene. We subsequently preparedthe analogous germylene (4) and reacted it with IDipp[IDipp = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene], ItBu, and IDipp=CH2. Spectroscopic and crystallographicanalysis of these complexes revealed that, in all cases, there wasdeprotonation from the backbone and formation of zwitterionic products(5-7). When the hydrogen in the NHCbackbone was replaced with methyl groups such as IDipp(Me) (1,3-bis(2,6-diisopropylphenyl)-4,5-dimethylimidazol-2-ylidene),simple adduct formation occurred, exemplified by the isolation ofIDipp(Me)\& BULL;Ge(NSiMe3)(2)C10H6 (8).

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.3c00167}, author = {Gour, Kritika and Pramanik, Debjit and Dash, Soumya Ranjan and Tothadi, Srinu and Vanka, Kumar and Sen, Sakya S.} } @article {48326, title = {Antiviral and ROS scavenging potential of Carica papaya Linn and Psidium guajava leaves extract against HIV-1 infection}, journal = {BMC Complementary Medicine and Therapies}, volume = {23}, year = {2023}, month = {MAR}, pages = {82}, type = {Article}, abstract = {

Antiretroviral therapy is the only treatment option for HIV-infected patients; however, it has certain drawbacks in terms of developing multiple toxic side effects. Thus, there is a continuous need to explore safe and efficacious anti-retroviral agents. Carica papaya Linn and Psidium guajava are known for their various biological activities. In this study, we characterized the bioactive fractions of methanolic leaves extract from both plants using the High-resolution electrospray ionization mass spectrometry (HR-ESI-MS) technique, followed by the investigation of their potential as anti-HIV-1 and antioxidant agents through in vitro mechanistic assays. The anti-HIV-1 activity was examined in TZM-bl cells through luciferase gene assay against two different clades of HIV-1 strains, whereas the intracellular ROS generation was analyzed by Fluorescence-Activated Cell Sorting. Additionally, the mechanisms of action of these phyto-extracts were determined through the Time-of-addition assay. The characterization of Carica papaya Linn and Psidium guajava leaves extract through HR-ESI-MS fragmentation showed high enrichment of various alkaloids, glycosides, lipids, phenolic compounds, terpenes, and fatty acids like bioactive constituents. Both the phyto-extracts were found to be less toxic and exhibited potent antiviral activity against HIV-1 strains. Furthermore, the phyto-extracts also showed a decreased intracellular ROS in HIV-1 infected cells due to their high antioxidant potential. Overall, our study suggests the anti-HIV-1 potential of Carica papaya Linn and Psidium guajava leaves extract due to the synergistic action of multiple bioactive constituents.

}, keywords = {anti-HIV-1 activity, Anti-retroviral, Bioactive constituents, Carica papaya Linn, Cytotoxicity, HR-ESI-MS, Psidium guajava, reactive oxygen species}, doi = {10.1186/s12906-023-03916-x}, author = {Jadaun, Pratiksha and Shah, Prachibahen and Harshithkumar, R. and Said, Madhukar S. and Bhoite, Shubhangi P. and Bokuri, Sowmya and Ravindran, Selvan and Mishra, Neetu and Mukherjee, Anupam} } @article {48810, title = {Aptamer tethered bio-responsive mesoporous silica nanoparticles for efficient targeted delivery of paclitaxel to treat ovarian cancer cells}, journal = {Journal of Pharmaceutical Sciences}, volume = {112}, year = {2023}, month = {MAY}, pages = {1450-1459}, type = {Article}, abstract = {

Ovarian cancer is the leading cause of cancer deaths in female patients. The current therapeutics in ovarian cancer are limited and inefficient in curing the disease. To tackle this, we have synthesized tetrasulfide deriv-ative of silica doped, biodegradable, glutathione-responsive targeted mesoporous silica nanoparticles modi-fied with heterobifunctional polyethylene glycol as a linker and mucin-1 aptamer for triggered paclitaxel delivery to the ovarian cancer cells. Degradable mesoporous silica nanoparticles were synthesized by a modi-fied sol-gel method with tetraethyl orthosilicate and Bis (triethoxysilylpropyl) tetrasulfide. The degradable mesoporous silica nanoparticles were characterized by dynamic light scattering, Fourier-transform infrared spectroscopy, Scanning electron microscopy and Transmission electron microscopy. The degradable mesopo-rous silica nanoparticles had good paclitaxel encapsulation efficiency and glutathione-responsive paclitaxel release ability. The glutathione utilization assay and visual destruction observed within 10 days in transmis-sion electron microscopy images confirmed the degradation of the mesoporous silica nanoparticles in the tumor cell environment. The targeted degradable mesoporous silica nanoparticles were efficiently taken up by ovarian cancer cell lines OVACAR-3 and PA-1. The cytotoxicity of bare mesoporous silica nanoparticles evaluated on NIH-3T3 cell line showed good biocompatibility (\>90\% cell viability). Significant toxicity on OVACAR-3 (IC50 25.66 nM) and PA-1 (IC50 42.93 nM) cell lines was observed when treated with paclitaxel-loaded targeted degradable mesoporous silica nanoparticles. Results of this study demonstrated that mucin-1 targeted, glutathione-responsive mesoporous silica nanoparticles loaded with paclitaxel had a significant antitumor effect on ovarian cancer cells. All these findings demonstrated that developed nano-formulation could be suitable for ovarian cancer treatment. \& COPY; 2023 American Pharmacists Association. Published by Elsevier Inc. All rights reserved.

}, keywords = {Degradable, GSH, Mesoporous silica nanoparticles, Mucin-1, Ovarian cancer, Paclitaxel, Stimuli-responsive}, issn = {0022-3549}, doi = {10.1016/j.xphs.2023.01.011}, author = {Salve, Rajesh and Kumar, Pramod and Chaudhari, Bhushan P. and Gajbhiye, Virendra} } @article {48766, title = {Atomically dispersed manganese on graphene nanosheets as biocompatible nanozyme for glutathione detection in liver tissue lysate using microfluidic paper-based analytical devices}, journal = {ACS Applied Materials \& Interfaces}, volume = {15}, year = {2023}, month = {OCT }, pages = {47902-47920}, type = {Article}, abstract = {

Recently, single atom catalysts (SACs) featuring M-N-x (M = metal) active sites on carbon support have drawn considerable attention due to their promising enzyme-like catalytic properties. However, typical synthesis methods of SACs often involve energy-intensive carbonization processes. Herein, we report a facile one-pot, low-temperature, wet impregnation method to fully utilize M-N-4 sites of manganese phthalocyanine (MnPc) by decorating molecular MnPc over the sheets of graphene nanoplatelets (GNP). The synthesized MnPc@GNP exhibits remarkable peroxidase-mimic catalytic activity toward the oxidation of chromogenic 3,3 {\textquoteleft},5,5({\textquoteright})-tetramethylbenzidine (TMB) substrate owing to the efficient utilization of atomically dispersed Mn and the high surface-to-volume ratio of the porous catalyst. A nanozyme-based colorimetric sensing probe is developed to detect important biomarker glutathione (GSH) within only 5 min in solution phase based on the ability of GSH to effectively inhibit the TMB oxidation. The high sensitivity and selectivity of the developed colorimetric assay enable us to quantitatively determine GSH concentration in different biological fluids. This work, for the first time, reports a rapid MnPc@GNP nanozyme-based colorimetric assay in the solid substrate by fabricating microfluidic paper-based analytical devices (mu PADs). GSH is successfully detected on the fabricated mu PADs coated with only 6.0 mu g of nanozyme containing 1.6 nmol of Mn in the linear range of 0.5-10 mu M with a limit of detection of 1.23 mu M. This work also demonstrates the quantitative detection of GSH in mice liver tissue lysate using mu PADs, which paves the way to develop mu PADs for point-of-care testing.

}, keywords = {colorimetricsensing, Glutathione, mu PADs, nanozyme, single atom catalyst, tissue lysate}, issn = {1944-8244}, doi = {10.1021/acsami.3c08762}, author = {Baruah, Diksha J. and Thakur, Ashutosh and Roy, Esha and Roy, Kallol and Basak, Sumanjita and Neog, Dipankar and Bora, Himangsu K. and Konwar, Rituraj and Chaturvedi, Vikash and Shelke, Manjusha V. and Das, Manash R.} } @article {48807, title = {Automated myocardial infarction and angina detection using second derivative of photoplethysmography}, journal = {Physical and Engineering Sciences in Medicine}, volume = {46}, year = {2023}, month = {SEP}, pages = {1259-1269}, type = {Article}, abstract = {

Photoplethysmography (PPG) based healthcare devices have gained enormous interest in the detection of cardiac abnormalities. Limited research has been implemented for myocardial infarction (MI) detection. Moreover, PPG-based detection of angina is still a research gap. PPG signals are not always informative. Therefore, this research work presents the use of PPG signals and their second derivative to evaluate myocardial infarction and angina using a novel set of morphological features. The obtained morphological features are fed onto the feed-forward artificial neural network for the identification of the type of MI and unstable angina (UA). The initial experiments have been carried out on non-ambulatory (public) subjects for feature extraction and later evaluated on ambulatory (self-generated) databases. The intended method attains accuracy, sensitivity, and specificity of 98\%, 97\%, 98\% on the public database and 94\%, 94\%, 94\% on the self-generated database. The result shows that the proposed set of features can detect MI and UA with significant accuracy.

}, keywords = {Artificial neural network, Myocardial infarction detection, PPG, SDPPG, Unstable angina detection}, issn = {2662-4729}, doi = {10.1007/s13246-023-01293-w}, author = {Neha, H. K. and Sardana, H. K. and Dahiya, N. and Dogra, N. and Kanawade, R. and Sharma, Y. P. and Kumar, S.} } @article {48704, title = {Baby step in assembling and integrating the components of an artificial photosynthesis device with forced heterojunctions towards improved efficiency}, journal = {Journal of Materials Chemistry A}, volume = {11}, year = {2023}, month = {JUL }, pages = {15168-15182}, type = {Article}, abstract = {

How to achieve unassisted, economical, scalable, and sustainable artificial photosynthesis for liquid fuels/products with improved solar-to-fuel efficiency (STFE) to address a carbon-neutral economy remains a big question. To a large degree, the extent of charge separation at heterojunction interfaces and charge utilization determine the STFE. Towards this, BiVO3 is assembled from ionic-precursors into TiO2 pores, and integrated structurally and electronically with TiO2 on calcination as BiVO4 quantum dots (BVQDs). BVQDs in TiO2 (BVT) pores lead to an all-inorganic system with a sub-quadrillion number of heterojunctions in a 1 cm(2) device (contains similar to 25 mu g of BiVO4 (similar to 2.5 wt\%) in the nanopores of similar to 975 mu g of TiO2 (similar to 97.5 wt\%)) and facilitate artificial photosynthesis. We demonstrate 31-38\% STFE with a photon to chemical conversion turn over frequency (ToF(P2C)) of 2.73 s(-1) with a 1 cm(2) wireless BiVO4-TiO2 artificial leaf (BVT-AL) device for HCHO and CH3OH. The sequential nature of CO2 reduction to HCHO and then to CH3OH is evident from the reaction results. (CO2)-C-13 isotopic labeling experiments confirm that the input CO2 is the source for product formation. A large increase in the photocurrent density and incident photon-to-current efficiency (IPCE) of BVT, over 100\% for the BiVO4 photoanode in visible light, demonstrates and supports efficient visible light absorption, charge separation and migration to the redox sites. A device has been demonstrated to show sustainable activity in direct sunlight, and addresses scalability from 1 to 9 cm(2). Assuming no change (50\% decrease) in the STFE, a 6.74 m(2) device is expected to convert 1 (0.5) kg h(-1) CO2 into C1-oxygenates in sunlight. DFT calculations carried out with anatase TiO2 (101) and BiVO4 (121) interfaces support many of the experimental findings, including electron flow from the latter to the former, and interaction of the oxygen of TiO2 with BiVO4 and vice versa at the interface towards forced heterojunctions.

}, issn = {2050-7488}, doi = {10.1039/d3ta01850d}, author = {Salgaonkar, Kranti N. and Bajpai, Himanshu and Mhamane, Nitin B. and Nalajala, Naresh and Chauhan, Inderjeet and Thakkar, Kavita and Joshi, Kavita and Gopinath, Chinnakonda S.} } @article {48816, title = {BAHD-type acyltransferase concludes the biosynthetic pathway of non-bitter glycoalkaloids in ripe tomato fruit}, journal = {Nature Communications}, volume = {14}, year = {2023}, month = {JUL}, pages = {4540}, type = {Article}, abstract = {

During tomato fruit ripening, bitter and toxic steroidal glycoalkaloids (SGAs) are converted to nonbitter and less toxic forms, but proposed acylating enzyme in pathway remain unknown. Here, authors report BAHD-type acyltransferase that catalyze acylation step in biosynthesis of non-bitter SGAs in tomato. Tomato is the highest value fruit and vegetable crop worldwide, yet produces \& alpha;-tomatine, a renowned toxic and bitter-tasting anti-nutritional steroidal glycoalkaloid (SGA) involved in plant defense. A suite of modifications during tomato fruit maturation and ripening converts \& alpha;-tomatine to the non-bitter and less toxic Esculeoside A. This important metabolic shift prevents bitterness and toxicity in ripe tomato fruit. While the enzymes catalyzing glycosylation and hydroxylation reactions in the Esculeoside A pathway have been resolved, the proposed acetylating step remains, to date, elusive. Here, we discovered that GAME36 (GLYCOALKALOID METABOLISM36), a BAHD-type acyltransferase catalyzes SGA-acetylation in cultivated and wild tomatoes. This finding completes the elucidation of the core Esculeoside A biosynthetic pathway in ripe tomato, allowing reconstitution of Esculeoside A production in heterologous microbial and plant hosts. The involvement of GAME36 in bitter SGA detoxification pathway points to a key role in the evolution of sweet-tasting tomato as well as in the domestication and breeding of modern cultivated tomato fruit.

}, doi = {10.1038/s41467-023-40092-5}, author = {Sonawane, Prashant D. and Gharat, Sachin A. and Jozwiak, Adam and Barbole, Ranjit and Heinicke, Sarah and Almekias-Siegl, Efrat and Meir, Sagit and Rogachev, Ilana and O{\textquoteright}Connor, Sarah E. and Giri, Ashok P. and Aharoni, Asaph} } @article {48465, title = {Benign strategy toward mesoporous carbon coated Sb nanoparticles: a high-performance Li-ion/Na-ion batteries anode}, journal = {Solid State Ionics}, volume = {396}, year = {2023}, month = {AUG}, pages = {116243}, type = {Article}, abstract = {

Antimony (Sb)-based anodes can offer excellent gravimetric capacity (-660 mAhg(1)) in lithium-ion/sodium-ion batteries (LIBs/SIBs) fabricated using carbonate-based electrolytes complexed with lithium/sodium salt. However, high first-cycle irreversible loss (35-40\%) and gradual capacity fade (25-30\%/cycle) originate from solid electrolyte interphase (SEI), and severe volumetric stress (-300\%) associated with alloyed phase(s) impede reallife applications. Herein, we devise a benign strategy to develop mesoporous carbon coating onto antimony nanoparticles (Sb@C) based core-shell architecture for LIBs/SIBs anode. In particular, -30-50 nm thick mesoporous carbon spheres (-1 +/- 0.5 mu m) were obtained from resorcinol-formaldehyde (RF)-based polycondensation reaction by sol-gel chemistry engulfing Sb nanoparticles by suitably controlling Cetyltrimethylammonium bromide (CTAB)-induced steric stabilization and pH modulation during synthesis. The core-shell Sb@C helps faster Li+/Na+-ion migration preventing the structural collapse of Sb during electrochemical cycling and thereby improving the capacity fade. Electrochemical results demonstrate Sb@C can deliver a specific capacity of -536 mAhg(-1) and - 291 mAhg(-1) at 0.1C current rate in LIBs and SIBs, respectively, up to 200 cycles. Electrochemical impedance spectroscopy (EIS) indicates lower charge transfer (Rct) and SEI resistance (RSEI) of Sb@C cycled electrode than the bare Sb-NPs was the probable reason for improved Li/Na-ion storage in Sb@C anode. A detailed galvanostatic intermittent titration technique (GITT) and internal resistance measurements during 1st and 2nd cycles shed light on distinguishably different Li-ion/Na-ion storage behavior. The bulk Li+/Na+-ion diffusion coefficients found diminishes at reaction voltages (0.9 V/0.6 V for lithiation and 0.6 V/0.4 V for sodiation) corresponding with alloyed phase(s) concurrent with a drop in internal resistance at the quasi-opencircuit voltage (QOCV) during 1st and 2nd discharge cycle. On the contrary, de-alloying phenomena from the fully lithiated/sodiated phase(s) display an entirely opposite trend. The Li+ diffusion coefficient reaches minima at -1.1 V with a sudden jump in the internal resistance at QOCV during 1st and 2nd charge cycle. However, Na+ diffusion coefficient gradually drops along with a steep increase in the internal resistance, indicating partial Naion trapping and irreversible capacity loss.

}, keywords = {anode, Antimony, lithium-ion batteries, mesoporous carbon, Sodium-ion batteries}, issn = {0167-2738}, doi = {10.1016/j.ssi.2023.116243}, author = {Dashairya, Love and Chaturvedi, Vikash and Kumar, Abhishek and Mohanta, Tandra Rani and Shelke, Manjusha and Saha, Partha} } @article {48709, title = {Bi(III)-catalyzed synthesis of substituted furans from hydroxy-oxetanyl ketones: application to unified total synthesis of shikonofurans J, D, E, and C}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {MAY}, pages = {7328-7346}, type = {Article}, abstract = {

We report an improved synthetic protocol for hydroxymethyl-derivedpolysubstituted furans employing Bi-(III)-catalyzed dehydrative cycloisomerizationof alpha-hydroxy oxetanyl ketones. This procedure provides rapidaccess (within 5 min) to highly substituted furans with exceptionalfunctional group diversity, excellent yields, generality, scalability,and operationally simple reaction conditions. Further, it demonstratedthe utility of this method in the first enantioselective total synthesisof furyl-hydroquinone-derived biologically potent natural productsshikonofurans J, D, E, and C in seven linear steps, starting fromreadily available building blocks of 2,5-dihydroxy acetophenone and3-oxetanone employing chiral-phosphoric acid (TRIP)-catalyzed asymmetricprenylation as a key step to induce the chirality.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c00549}, author = {Kataria, Priyanka and Sahoo, Shubhranshu Shekhar and Kontham, Ravindar} } @article {48743, title = {Bimetallic quantum dots (Cu-Pd, Ni-Pd) catalyzed reaction of bromo arenes with alkenes and aryl boronic acids}, journal = {Indian Journal of Chemistry}, volume = {62}, year = {2023}, month = {AUG}, pages = {843-848}, type = {Article}, abstract = {

Bimetallic quantum dots (Cu-Pd and Ni-Pd) are active ligand-free catalysts for the alkenylation and arylation of aryl bromides. The catalysts are easy to synthesize by benign green protocols and characterized by various techniques. The bimetallic QD catalysts synthesized thus are superior to Pd(OAc)2 or other Pd NP catalysis of alkenylation reactions of aryl bromides with similar E-selectivity. The reaction of aryl bromide with aryl boronic acid is facile with high yields.

}, keywords = {Aryl bromides, Bimetallic QDs catalysis, Cu-Pd, Mizoroki-Heck, Ni-Pd, Suzuki coupling}, issn = {0019-5103}, doi = {10.56042/ijc.v62i8.4769}, author = {Raut, Pallavi K. and Meroliya, Heena K. and Dumbre, Swapnil R. and Patil, Vaishali N. and Solanki, Bhanupratap S. and Waghmode, Shobha A. and Iyer, Suresh} } @article {48749, title = {Biosynthesis of gold nanoparticles by Penicillium rubens and catalytic detoxification of ochratoxin A and organic dye pollutants}, journal = {International Microbiology}, volume = {26}, year = {2023}, month = {NOV}, pages = {765-780}, type = {Article}, abstract = {

The environmental pollution caused by chemical dyes is a growing concern nowadays. Limitations of traditional methods opened the route for nanotechnology; owing to the versatile properties of nanomaterials, gold nanoparticles (AuNPs) became a potential strategy for different applications. In the present study, biosynthesis of gold nanoparticles (BioAuNPs) was carried out by reacting chloroauric acid (HAuCl4) with cell-free filtrate of Penicillium rubens sp. nov. NCIM 1937. The AuNPs were then characterized by UV-visible spectroscopy, HR-TEM, FTIR, and DLS analysis to further examine their efficacious biosynthesis and morphological properties including size, shape, and stability. The biogenic AuNPs are polydisperse in nature, with a mean size of 14.92 +/- 5 nm. These AuNPs exhibited promising antimicrobial activity against Escherichia coli NCIM-2065, Bacillus subtilis NCIM-2010, and Penicillium verrucosum MTCC 4935. In vitro quantitative HPLC results revealed that BioAuNPs significantly inhibited the biosynthesis of ochratoxin A (OTA). Microbial fuel cells (MFCs) are intriguing for power generation and wastewater treatment since they can directly transform chemical energy stored in organic matter to electricity by extracellular electron transfer (EET) via membrane proteins. AuNPs also showed excellent potential for dye degradation of organic pollutants, viz., methylene blue (MB), phenol red (PR), bromothymol blue (BTB), Congo red (CR), and 4-nitrophenol (4-NP). All dye removal efficiencies were estimated and fitted to pseudo-first-order processes using kinetic rate constants (Ka).The present study reveals a simple, original, and eco-friendly method for the synthesis of multifunctional biogenic AuNPs that could be effective in OTA detoxification in food products and organic pollutant removal during wastewater treatment for a sustainable environment.

}, keywords = {Catalytic organic dye degradation, gold nanoparticles, Ochratoxin A, Penicillium rubens, Penicillium verrucosum}, issn = {1139-6709}, doi = {10.1007/s10123-023-00341-5}, author = {Bhandari, Yogesh and Varma, Sanjana and Sawant, Amol and Beemagani, Sreelatha and Jaiswal, Neha and Chaudhari, Bhushan P. and Vamkudoth, Koteswara Rao} } @article {48490, title = {Can Li atoms anchored on boron- and nitrogen-doped graphene catalyze dinitrogen molecules to ammonia? a DFT study}, journal = {ChemPhysChem}, volume = {24}, year = {2023}, month = {JUN}, type = {Article}, abstract = {

The most successful electrochemical conversion of ammonia from dinitrogen molecule reported to date is through a Li mediated mechanism. In the framework of the above fact and that Li anchored graphene is an experimentally feasible system, the present work is a computational experiment to identify the potential of Li anchored graphene as a catalyst for N-2 to NH3 conversion as a function of (a) minimum number of Li atoms needed for anchoring on graphene sheets and (b) the role of chemical modification of graphene surfaces. The studies bring forth an understanding that Li anchored graphene sheets are potential catalysts for ammonia conversion with preferential adsorption of N-2 through end-on configuration on Li atoms anchored on doped and pristine graphene surfaces. This mode of adsorption being characteristic of Nitrogen Reduction Reaction (NRR) through enzymatic pathway, examination of the same followed by analysis of electronic properties demonstrates that tri-Li atoms (Tri Atom Catalysts, TACs) are more efficient as catalysts for NRR as compared to two Li atoms (Di Atom Catalysts, DACs). Either way, the rate determining step was found to be *NH2 -\>*NH3 step (mixed pathway) with Delta G(max)=1.02 eV and *NH2-*NH3 -\>*NH2 step (enzymatic pathway) with Delta G(max)=1.11 eV for 1B doped TAC and DAC on graphene sheet, respectively. Consequently, this work identifies the viability of Li anchored graphene based 2-D sheets as hetero-atom catalyst for NRR.

}, keywords = {computational chemistry, Graphene Sheet, heterogeneous catalysis, Li Nanoparticles, Nitrogen Reduction Reaction}, issn = {1439-4235}, doi = {10.1002/cphc.202200750}, author = {Verma, Tushar Singh and Samal, Pragnya Paramita and Selvaraj, Kaliaperumal and Krishnamurty, Sailaja} } @article {48721, title = {Can metal cations electrocatalyze sulfur redox reaction and suppress polysulfide shuttle?}, journal = {Batteries \& Supercaps}, volume = {6}, year = {2023}, month = {SEP}, type = {Article}, abstract = {

In lithium-sulfur (Li-S) batteries, sulfur undergoes various changes. It switches between cyclic structure and linear structure. The charge on the sulfur varies between a neutral state and a negative charge-bearing state. Due to these changes, the sulfur/polysulfide dissolves in the battery electrolyte. Furthermore, the kinetics of the sulfur redox reaction is sluggish. Therefore, a material that can suppress sulfur/polysulfide dissolution and electrocatalyze sulfur redox reaction is needed. We hypothesize that the polysulfide dissolution can be suppressed if the host exhibits polyvalent electrostatic attraction. Polysulfide is a negative charge-bearing molecule; hence the host must comprise multiple positive charges. Nickel cations with other heteroatoms have been explored as a host in Li-S batteries. The heteroatoms impart additional interactions. The easier way to circumvent the effect of heteroatoms is the addition of metal salts. However, metal salts can either exhibit monovalent or divalent attraction with polysulfides. Those interactions are weak and we must have polyvalent interaction. Towards this objective, we have designed and synthesized a material that comprises multiple divalent cations that is also devoid of heteroatoms. The Li-S batteries fabricated using the metal cation immobilized graphene showed a maximum specific capacity of 1022 mAh/g at 0.1 C rate. Among the metal cations, nickel cations showed better performance than cobalt cations. Thus, we demonstrate that metal cations immobilized on Graphene can efficiently electrocatalyze the sluggish sulfur redox reaction and suppress the polysulfide dissolution.

}, keywords = {electrocatalysis, graphene, lithium-sulfur batteries, metal cations, polysulfides}, doi = {10.1002/batt.202300136}, author = {Kumar, Subramani and Swain, Gitanjali and Krishnamoorthy, Kothandam} } @article {48794, title = {Carbohydrate recognition using metal-ligand assemblies}, journal = {Organic \& Biomolecular Chemistry}, volume = {21}, year = {2023}, month = {JUL }, pages = {5492-5505}, type = {Review}, abstract = {

Carbohydrate-binding proteins, known as lectins, play a wide range of vital roles in cellular and pathological processes. Mimicking lectins to achieve specific molecular recognition of carbohydrates in organic and aqueous media using artificial receptors is challenging due to the synthetic hurdles of receptors and structural similarities between sugars. Carbohydrate recognition using non-covalent interactions remains a vast topic. This review summarises the recognition of carbohydrates using metal-ligand assemblies, including metallosupramolecules, macrocycles, and cages. It also highlights the challenges and future directions in the field.

}, issn = {1477-0520}, doi = {10.1039/d3ob00649b}, author = {Ahamed, Rafiq and Venkatesh, Jayashree and Srithar, Rakshantha and Gaikwad, Sudhakar and Pramanik, Susnata} } @article {48336, title = {Carbon black and chitin nanofibers for green tyres: preparation and property evaluation}, journal = {Carbohydrate Polymers}, volume = {310}, year = {2023}, month = {JUN}, pages = {120700}, type = {Article}, abstract = {

This research highlights the synergistic use of carbon black (CB) and chitin nanofibers (CHNFs) for developing green tyres for the first time. The CHNFs (12-30 nm) were prepared from chitin powder with the help of steam explosion and mild oxalic acid hydrolysis. The CHNFs were uniformly dispersed in natural rubber (NR) latex, dried, and mixed with CB in a two-roll mill to form NR/CB/CHNF composites. The NR/CB/CHNF composite at 1 phr CHNF loading exhibited tensile and tear strengths that were about 47 and 160 \% greater than the NR-Neat, respectively. The dynamic mechanical analysis showed that the loss tangent (tan delta) at 60 degrees C was 50 \% lower for the NR/CB/CHNF 1.0 composite than for the NR/CB50 composite. The study succeeded in developing a new green tyre tread formulation that would be helpful for attaining sustainability and a circular economy.

}, keywords = {carbon black, Chitin nanofibers, Green Tyre, natural rubber latex}, issn = {0144-8617}, doi = {10.1016/j.carbpol.2023.120700}, author = {Mathew, Mariya and Dominic, C. D. Midhun and Neenu, K. V. and Begum, P. M. Sabura and Dileep, P. and Kumar, T. G. Ajith and Sabu, Akshay Alax and Nagane, Dhiraj and Parameswaranpillai, Jyotishkumar and Badawi, Michael} } @article {48330, title = {Carbon encapsulated NiCo2S4 nanoparticles with enhanced surface mediated charge storage for superior ultracapacitor electrodes}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {APR}, type = {Article}, abstract = {

Three different compositions of NiCo2S4 (NCS) materials were prepared using three solvents, named NCS HTDI (hydrothermal in DI water), NCS STEG (solvothermal in ethylene glycol), and a novel carbon-encapsulated NCS STFA (solvothermal in formamide). The structural and morphological properties of the prepared NCS HTDI, NCS STEG, and NCS HTDI materials were analyzed using various physical characterization techniques. As prepared, NCS materials were tested as an electrode for supercapacitor (SC) application using a 3-electrode system in a basic electrolyte (3 M KOH). NCS HTDI exhibits a specific capacitance of 2536 F g(-1), NCS STEG shows 1355 F g(-1), and NCS STFA shows 1178 F g(-1) at an input current density of 1 A g(-1). The SBN-PSC material is utilized as a counter electrode in the NCS STFA || SBN-PSC-based asymmetric SC device. The device exhibits exceptionally superior electrochemical performance with a specific capacitance of 172 F g(-1) at 10 A g(-1) input current density and 97\% capacity retention after 5000 cycles in a voltage window of 1.6 V. The results confirm the superiority of NCS STFA||SBN-PSC deviceas an excellent high-energy and high-power SC.

}, keywords = {Asymmetric supercapacitor device, NiCo2S4, pseudocapacitor, Surface charge storage}, issn = {1861-4728}, doi = {10.1002/asia.202300121}, author = {Chaturvedi, Vikash and Pawar, Meenakshi and Thripuranthaka, M. and Shivade, Rajkiran and Shelke, Manjusha V. V.} } @article {48678, title = {Catalyst-assisted selective vinylation and methylallylation of a quaternary carbon center using tert-butyl acetate}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {JUL}, pages = {9686-9703}, type = {Article}, abstract = {

The In-(OTf)(3)-catalyzed \& alpha;-vinylationof varioushydroxy-functionalized quaternary carbon centers using in situ generatedisobutylene from tert-butyl acetate is presentedas a novel synthetic methodology. Moreover, tert-butylacetate is a nonflammable feed stock and is a readily available sourcefor the in situ production of vinyl substituents, as demonstratedby the vinylation reaction with quaternary hydroxy/methoxy compounds.Moreover, an excellent selectivity for methylallylation over vinylationwas obtained with Ni-(OTf)(2) as a catalyst. In the case ofperoxyoxindole, methylallyl-functionalized 1,4-benzoxazin-3-one derivativeswere formed through the sequential rearrangement of peroxyoxindolefollowed by the nucleophilic attack by isobutylene. The detailed mechanismfor this reaction and rationalization for the selectivity are providedusing kinetics and density functional theory studies.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.2c03072}, author = {Mohanta, Nirmala and Samal, Pragnya Paramita and Pandey, Akanksha M. and Mondal, Shankhajit and Krishnamurty, Sailaja and Gnanaprakasam, Boopathy} } @article {48318, title = {Challenges and emerging strategies for next generation liposomal based drug delivery: an account of the breast cancer conundrum}, journal = {Chemistry and Physics of Lipids}, volume = {250}, year = {2023}, month = {JAN}, pages = {105258}, type = {Article}, abstract = {

The global cancer burden is witnessing an upsurge with breast cancer surpassing other cancers worldwide. Furthermore, an escalation in the breast cancer caseload is also expected in the coming years. The conventional therapeutic regimens practiced routinely are associated with many drawbacks to which nanotechnological in-terventions offer a great advantage. But how eminent could liposomes and their advantages be in superseding these existing therapeutic modalities? A solution is reflected in this review that draws attention to a decade-long journey embarked upon by researchers in this wake. This text is a comprehensive discussion of liposomes, the front runners of the drug delivery systems, and their active and passive targeting approaches for breast cancer management. Active targeting has been studied over the decade by many receptors overexpressed on the breast cancer cells and passive targeting with many drug combinations. The results converge on the fact that the actively targeted formulations exhibit a superior efficacy over their non-targeted counterparts and the all lipo-somal formulations are efficacious over the free drugs. This undoubtedly underlines the dominion of liposomal formulations over conventional chemotherapy. These investigations have led to the development of different liposomal formulations with active and passive targeting capacities that could be explored in depth. Acknowl-edging and getting a deeper insight into the liposomal evolution through time also unveiled many imperfections and unchartered territories that can be explored to deliver dexterous liposomal formulations against breast cancer and more in the clinical trial pipeline.

}, keywords = {Breast cancer, Liposomal metamorphosis, Receptor-ligand dynamics, Targeted Drug Delivery}, issn = {0009-3084}, doi = {10.1016/j.chemphyslip.2022.105258}, author = {Moudgil, Aliesha and Salve, Rajesh and Gajbhiye, Virendra and Chaudhari, Bhushan P.} } @article {48321, title = {Charge trapped CdS quantum dot embedded polymer matrix for a high speed and low power memristor}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {FEB }, pages = {3737-3744}, type = {Article}, abstract = {

The data storage requirement in the digital world is increasing day by day with the advancement of the internet of things. In this respect, nonvolatile resistive random-access memory is an option that provides high density and low power data storage capabilities. In this work, zero-dimensional colloidal CdS quantum dots and a polymer composite at an appropriate ratio were used to fabricate a memristive device. Comparison with a pristine CdS quantum dot-based device reveals that a surrounding matrix around the quantum dots is needed for observing memristive behavior. The quantum dots embedded in the polymer matrix device showed extremely stable electrical switching behavior that can be operated for more than 300 cycles and 60 000 seconds. Moreover, the device needs extremely low power to operate at a very high speed. The smooth surface morphology dictates a charge trapping mechanism for the switching phenomenon; however, an interplay between different charge transport mechanisms leads to the fast switching and high on-off ratio of the device.

}, issn = {1463-9076}, doi = {10.1039/d2cp05014e}, author = {Betal, Atanu and Bera, Jayanta and Sharma, Ashish and Rath, Arup K. K. and Sahu, Satyajit} } @article {48818, title = {Chemical bridge-mediated heterojunction electron transport layers enable efficient and stable perovskite solar cells}, journal = {ACS Applied Materials and Interfaces}, volume = {15}, year = {2023}, month = {JUN}, pages = {29597-29608}, type = {Article}, abstract = {

Perovskite solar cells (PSCs) emerged as potential photovoltaicenergy-generating devices developing in recent years because of theirexcellent photovoltaic properties and ease of processing. However,PSCs are still reporting efficiencies much lower than their theoreticallimits owing to various losses caused by the charge transport layerand the perovskite. In this regard, herein, an interface engineeringstrategy using functional molecules and chemical bridges was appliedto reduce the loss of the heterojunction electron transport layer.As a functional interface layer, ethylenediaminetetraacetic acid (EDTA)was introduced between PCBM and the ZnO layer, and as a result, EDTAsimultaneously formed chemical bonds with PCBM and ZnO to serve asa chemical bridge connecting the two. DFT and chemical analyses revealedthat EDTA can act as a chemical bridge between PCBM and ZnO, passivatedefect sites, and improve charge transfer. Optoelectrical analysisproved that EDTA chemical bridge-mediated charge transfer (CBM-CT)provides more efficient interfacial charge transport by reducing trap-assistedrecombination losses at ETL interfaces, thereby improving device performance.The PSC with EDTA chemical bridge-mediated heterojunction ETL exhibiteda high PCE of 21.21\%, almost no hysteresis, and excellent stabilityto both air and light.

}, keywords = {charge transfer, chemical bridge, electron transport layer, ethylenediaminetetraacetic acid, Perovskite solar cells, trap-assisted recombination}, issn = {1944-8244}, doi = {10.1021/acsami.3c04852}, author = {Patil, Pramila and Maibam, Ashakiran and Sangale, Sushil S. and Mann, Dilpreet Singh and Lee, Hyun-Jung and Krishnamurty, Sailaja and Kwon, Sung-Nam and Na, Seok-In} } @article {48268, title = {Chemically modified graphene sheets as potential sensors for organophosphate compounds(pesticide): A DFT study}, journal = {Applied Surface Science}, volume = {619}, year = {2023}, month = {MAY}, pages = {156745}, type = {Article}, abstract = {

Owing to the extensive use of pesticides in agriculture and the threat posed to the environment and humankind, attention is drawn toward the need for its remediation from various sources, in particular from water. The adsorption characteristics of hydrophobic graphene and its BN doped counterparts are evaluated using DFT methodology, to assess their sensing potential towards notable pesticide molecules (Organophosphate pesticides (OPs) such as chlorpyriphos, parathion, methyl-parathion, and fenitrothion). To accomplish this, various elec-tronic properties such as band structure, DOS, Bader charge analysis, and CDD have been calculated. Interest-ingly, exothermic interactions (-0.1 eV to-2 eV) have been noted for all the OPs with NB doped single vacancy defect induced graphene surfaces. With an exception of FTN, all the other OPs showed significant changes in the electronic properties of surfaces as apparent from the change in band gap and nature of the band from indirect to direct. The appreciable adsorption energy, higher charge transfer, and notable variation in the band gap are the decisive factors behind the strong interaction exhibited by NB doped surfaces especially dg-(NB-2)2 (except FTN). These findings demonstrate the suitability of NB doped single vacancy defect induced graphene sheets for the detection of the studied OPs.

}, keywords = {Adsorption, BN doped graphene surfaces, Charge density difference, Density functional theory, Organophosphate pesticides}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2023.156745}, author = {Shivankar, Bhavana R. and Singh, Chandrodai Pratap and Krishnamurty, Sailaja} } @article {48442, title = {Cofilin-membrane interactions: electrostatic effects in phosphoinositide lipid binding}, journal = {ChemPhysChem}, volume = {24}, year = {2023}, month = {FEB }, type = {Article}, abstract = {

The actin cytoskeleton interacts with the cell membrane primarily through the indirect interactions of actin-binding proteins such as cofilin-1. The molecular mechanisms underlying the specific interactions of cofilin-1 with membrane lipids are still unclear. Here, we performed coarse-grain molecular dynamics simulations of cofilin-1 with complex lipid bilayers to analyze the specificity of protein-lipid interactions. We observed the maximal interactions with phosphoinositide (PIP) lipids, especially PIP2 and PIP3 lipids. A good match was observed between the residues predicted to interact and previous experimental studies. The clustering of PIP lipids around the membrane bound protein leads to an overall lipid demixing and gives rise to persistent membrane curvature. Further, through a series of control simulations, we observe that both electrostatics and geometry are critical for specificity of lipid binding. Our current study is a step towards understanding the physico-chemical basis of cofilin-PIP lipid interactions.

}, keywords = {complex membrane, lipid clustering, Martini coarse-grain simulations, Molecular dynamics simulations, Protein-lipid interactions}, issn = {1439-4235}, doi = {10.1002/cphc.202200509}, author = {Prakash, Shikha and Krishna, Anjali and Sengupta, Durba} } @article {48795, title = {COF-supported zirconium oxyhydroxide as a versatile heterogeneous catalyst for Knoevenagel condensation and nerve agent hydrolysis}, journal = {iScience}, volume = {26}, year = {2023}, month = {NOV}, pages = {108088}, type = {Article}, abstract = {

A composite of catalytic Lewis acidic zirconium oxyhydroxides (8 wt \%) and a covalent organic framework (COF) was synthesized. X-ray diffraction and infrared (IR) spectroscopy reveal that COF{\textquoteright}s structure is pre-served after loading with zirconium oxyhydroxides. Electron microscopy confirms a homogeneous distri-bution of nano-to sub-micron-sized zirconium clusters in the COF. 3D X-ray tomography captures the micron-sized channels connecting the well-dispersed zirconium clusters on the COF. The crystalline ZrOx(OH)(y)@COF{\textquoteright}s nanostructure was model-optimized via simulated annealing methods. Using 0.8 mol \% of the catalyst yielded a turnover number of 100-120 and a turnover frequency of 160-360 h(-1) for Knoevenagel condensation in aqueous medium. Additionally, 2.2 mol \% of catalyst catalyzes the hy-drolysis of dimethyl nitrophenyl phosphate, a simulant of nerve agent Soman, with a conversion rate of 37\% in 180 min. The hydrolytic detoxification of the live agent Soman is also achieved. Our study unveils COF-stabilized ZrOx(OH)(y) as a new class of zirconium-based Lewis + Bronsted-acid catalysts.

}, doi = {10.1016/j.isci.2023.108088}, author = {Shekhar, Pragalbh and Devulapalli, Venkata Swaroopa Datta and Reji, Reshma and Singh, Himan Dev and Jose, Aleena and Singh, Piyush and Torris, Arun and Vinod, Chatakudath P. and Tokarz III, John A. and Mahle, John J. and Peterson, Gregory W. and Borguet, Eric and Vaidhyanathan, Ramanathan} } @article {48302, title = {Comparison of the solid-state and submerged fermentation derived secretomes of hyper-cellulolytic Penicillium janthinellum NCIM 1366 reveals the changes responsible for differences in hydrolytic performance}, journal = {Bioresource Technology}, volume = {371}, year = {2023}, month = {MAR}, pages = {128602}, type = {Article}, abstract = {

better hydrolytic performance along with a higher initial rate of reaction. Secretome analyses of the SSF and SmF enzymes using LC/MS-MS, indicated that while the type of proteins secreted were similar in both modes, the abundance of specific beta glucosidases, lytic polysaccharide monooxygenases and hemicellulolytic enzymes were very high in SSF resulting in efficient initiation, low accumulation of cellobiose and high initial reaction rates. Key enzymes that catalyse lignocellulose breakdown under SSF and SmF are therefore different and the fungus may be speculated to have regulation mechanisms that aid differential expression under different culti

}, keywords = {Cellulase, Solid -state fermentation}, issn = {0960-8524}, doi = {10.1016/j.biortech.2023.128602}, author = {Sankar, Meena and Mathew, Reshma M. and Puthiyamadam, Anoop and Sreeja-Raju, Athiraraj and Christopher, Meera and Gokhale, Digambar Vitthal and Sukumaran, Rajeev K.} } @article {48687, title = {On the competition between six-membered and five-membered NHC towards alane centered ring expansion}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {JUL}, pages = {8540-8543}, type = {Article}, abstract = {

The combination of 6-SIDipp center dot AlH3 (1) and 5-IDipp resulted in the ring expansion of 6-NHC, while the five-membered NHC remained unchanged, which was subsequently explained by DFT studies. Besides, the substitution chemistry of 1 was also studied with TMSOTf and I-2, which gave rise to the substitution of a hydride by triflate or iodide ligands.

}, issn = {1359-7345}, doi = {10.1039/d3cc02063k}, author = {Balayan, Kajal and Sharma, Himanshu and Vanka, Kumar and Ravindranathan, Sapna and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {48666, title = {Composites of HKUST-1@nanocellulose for gas-separation and dye-sorption applications}, journal = {CHEMISTRY-A EUROPEAN JOURNAL}, volume = {29}, year = {2023}, month = {JUN}, type = {Article}, abstract = {

In this study, composites of HKUST-1 MOF with nanocellulose, HKUST-1@NCs, have been prepared and explored for CO2/N-2 gas-separation and dye-sorption based applications. Our biopolymer-MOF composites are prepared via a copper ion pre-seeding method, in which, the HKUST-1 crystallites are grown in situ on the Cu-seeded and carboxylate anchored NC fibers for a better interfacial integration between the MOF and the polymer matrices. Static gas sorption studies show the capability of one of our HKUST-1@NC composites to reach similar to 300 \% enhancement in the CO2/N-2 sorption selectivity compared to the corresponding MOF alone - blank reference sample prepared at similar conditions. The same composite, C100, in the bulk powder form, shows a remarkable IAST sorption selectivity of 298 (CO2/N-2) at 298 K and 1 bar for the CO2/N-2 (15/85, v/v) gas mixture. The relative position of the C100, in the bound plot visualizations of the CO2/N-2 separation trade-off factors indicate a significant potential. The HKUST-1@NC composites have also been processed along with a polymeric cellulose acetate (CA) matrix as HKUST-1@NC@CA films to study them as free-standing mixed-matrix membranes. The CO2/N-2 sorption selectivity, at 298 K and 1 bar is 600 for one such membrane, C-120@CA, as bulk sample studied by the static gas sorption. The composite, C120, exhibits a good uptake with an enhancement of 11 \% for alizarin and 70 \% for Congo red in comparison to the uptakes of the corresponding blank reference HKUST-1 sample, B120.

}, keywords = {CO2 separation, dye sorption, MOFs, nanocellulose composites, sustainable polymers}, issn = {0947-6539}, doi = {10.1002/chem.202300674}, author = {Muhamed, Shamna and Sunny, Blesson and Kunjattu, Shebeeb H. and Alagarsamy, Thirumurugan} } @article {48480, title = {Comprehensive analysis of physiological and metabolomic responses to drought reveals specific modulation of acquired tolerance mechanisms in rice}, journal = {Physiologia Plantarum}, volume = {175}, year = {2023}, month = {MAY}, pages = {e13917}, type = {Article}, abstract = {

Mild stresses induce {\textquoteleft}{\textquoteleft}acquired tolerance traits{\textquoteright}{\textquoteright} (ATTs) that provide tolerance when stress becomes severe. Here, we identified the genetic variability in ATTs among a panel of rice germplasm accessions and demonstrated their relevance in protecting growth and productivity under water-limited conditions. Diverse approaches, including physiological screens, association mapping and metabolomics, were adopted and revealed 43 significant marker-trait associations. Nontargeted metabolomic profiling of contrasting genotypes revealed 26 {\textquoteleft}{\textquoteleft}tolerance-related-induced{\textquoteright}{\textquoteright} primary and secondary metabolites in the tolerant genotypes (AC-39000 and AC-39020) compared to the susceptible one (BPT-5204) under water-limited condition. Metabolites that help maintain cellular functions, especially Calvin cycle processes, significantly accumulated more in tolerant genotypes, which resulted in superior photosynthetic capacity and hence water use efficiency. Upregulation of the glutathione cycle intermediates explains the ROS homeostasis among the tolerant genotypes, maintaining spikelet fertility, and grain yield under stress. Bioinformatic dissection of a major effect quantitative trait locus on chromosome 8 revealed genes controlling metabolic pathways leading to the production of osmolites and antioxidants, such as GABA and raffinose. The study also led to the identification of specific trait donor genotypes that can be effectively used in translational crop improvement activities.

}, issn = {0031-9317}, doi = {10.1111/ppl.13917}, author = {Doddaraju, Pushpa and Dharmappa, Prathibha M. and Thiagarayaselvam, Aarthy and Vijayaraghavareddy, Preethi and Bheemanahalli, Raju and Basavaraddi, Priyanka A. and Malagondanahalli, Mohan Kumar V. and Kambalimath, Sumanth and Thulasiram, Hirekodathakallu V. and Sreeman, Sheshshayee M.} } @article {48319, title = {Comprehensive molecular and clinical investigation of approved Anti-HCV drugs repurposing against SARS-CoV-2 infection: a glaring gap between benchside and bedside medicine}, journal = {Vaccines}, volume = {11}, year = {2023}, month = {MAR}, pages = {515}, type = {Article}, abstract = {

The limited availability of effective treatment against SARS-CoV-2 infection is a major challenge in managing COVID-19. This scenario has augmented the need for repurposing anti-virals for COVID-19 mitigation. In this report, the anti-SARS-CoV-2 potential of anti-HCV drugs such as daclatasvir (DCV) or ledipasvir (LDP) in combination with sofosbuvir (SOF) was evaluated. The binding mode and higher affinity of these molecules with RNA-dependent-RNA-polymerase of SARS-CoV-2 were apparent by computational analysis. In vitro anti-SARS-CoV-2 activity depicted that SOF/DCV and SOF/LDP combination has IC50 of 1.8 and 2.0 mu M, respectively, comparable to remdesivir, an approved drug for COVID-19. Furthermore, the clinical trial was conducted in 183 mild COVID-19 patients for 14 days to check the efficacy and safety of SOF/DCV and SOF/LDP compared to standard of care (SOC) in a parallel-group, hybrid, individually randomized, controlled clinical study. The primary outcomes of the study suggested no significant difference in negativity after 3, 7 and 14 days in both treatments. None of the patients displayed any worsening in the disease severity, and no mortality was observed in the study. Although, the post hoc exploratory analysis indicated significant normalization of the pulse rate showed in SOF/DCV and SOF/LDP treatment vs. SOC. The current study highlights the limitations of bench side models in predicting the clinical efficacy of drugs that are planned for repurposing.

}, keywords = {antiviral, COVID-19, daclatasvir, ledipasvir, SARS-CoV-2, sofosbuvir}, doi = {10.3390/vaccines11030515}, author = {Bansode, Sneha and Singh, Pawan Kumar and Tellis, Meenakshi and Chugh, Anita and Deshmukh, Narendra and Gupta, Mahesh and Verma, Savita and Giri, Ashok and Kulkarni, Mahesh and Joshi, Rakesh and Chaudhary, Dhruva} } @article {48283, title = {Computational insights into the iron-catalyze d magnesium-me diate d hydroformylation of alkynes}, journal = {Journal of Organometallic Chemistry}, volume = {986}, year = {2023}, month = {FEB}, pages = {122621}, type = {Article}, abstract = {

Iron is one of the most abundant transition metals in the earth{\textquoteright}s crust. It has attracted a lot of attention due to its low toxicity, bio-compatibility, and high natural abundance. Iron-catalyzed hydroamination, hydroalkoxylation, hydrocarboxylation, hydrosilylation, hydroboration, hydrophosphination, hydromagnesiation, and carbonylation reactions have therefore been developed over the past decades. However, despite many experimental and theoretical studies, a complete mechanistic understanding of iron-catalyzed hydrofunctionalisation at the molecular level has not yet been achieved. In this work, through density functional theory (DFT) calculations, we have shown the most feasible path for the hydroformylation of alkynes for an experimentally studied system. We have looked at the iron salt as a precatalyst without any external donor ligand, and the calculations revealed that hydrometalation followed by beta-hydride elimination was favorable over the direct migration of the beta-hydrogen to carbon. Furthermore, our calculations show that the solvent plays an important role in the hydromagnesiation reaction. Furthermore, we have employed an explicit solvent model, where the attachment of one molecule of solvent to the iron center was seen to stabilize the transition states significantly.(c) 2023 Elsevier B.V. All rights reserved.

}, keywords = {Computational study, Ethylene Assisted Catalysis, EtMgBr Assistance, Explicit Role of Solvent, Hydroformylation, Iron Catalyst}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2023.122621}, author = {Sharma, Himanshu and Tewari, Tanuja and Chikkali, Samir H. and Vanka, Kumar} } @article {48730, title = {Concise approach for the synthesis of the tetracyclic framework of Lycibarbarines A and B}, journal = {Tetrahedron Letters}, volume = {121}, year = {2023}, month = {MAY 17}, pages = {154493}, type = {Article}, abstract = {

A simple approach for the construction of the tetracyclic spiroketal skeleton of Lycibarbarine A and B has been described. Employing a solvent free condition for epoxide opening with tetrahydroquinoline as a key reaction to couple both the fragments, an oxidation followed by TBAF-mediated silyl deprotection spiroketalization establishes the complete tetracyclic core present in these natural products. (c) 2023 Elsevier Ltd. All rights reserved.

}, keywords = {Chiral pool approach, D -Glyceraldehyde, Tetracyclic spiroketal, Total synthesis}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2023.154493}, author = {Shet, Manoj N. and Nechooli, Hemanth K. and Ramana, Chepuri V.} } @article {48263, title = {Controlled reduction of isocyanates to formamides using monomeric magnesium}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {FEB}, pages = {2255-2258}, type = {Article}, abstract = {

This work describes a transition metal-free methodology involving an efficient and controlled reduction of isocyanates to only formamide derivatives using pinacolborane (HBpin) as the hydrogenating agent and a bis(phosphino)carbazole ligand stabilized magnesium methyl complex (1) as the catalyst. A large number of substrates undergo selective hydroboration and give exclusively N-boryl formamides.

}, issn = {1359-7345}, doi = {10.1039/d3cc00036b}, author = {Kumar, Rohit and Sharma, Vishal and Banerjee, Subhrashis and Vanka, Kumar and Sen, Sakya S.} } @article {48772, title = {Conversion of benzyl phenyl ether to monoaromatics in high-temperature aqueous ethanol solution under high-pressure carbon dioxide conditions}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {JUL}, pages = {12561-12569}, type = {Article}, abstract = {

Solvolysis of benzyl phenyl ether (BPE), which is a model compound of lignin ether linkage, was studied in an aqueous ethanol solution, which can be obtained from bioethanol, under high-pressure carbon dioxide conditions. A batch study revealed that BPE solvolysis to monoaromatics (benzyl ethyl ether (BEE), benzyl alcohol (BA), and phenol (Ph)) proceeded in aqueous ethanol solution over 523 K and the addition of high-pressure carbon dioxide enhanced the initial solvolysis rate and suppressed the side reaction (hydrogenolysis to toluene (TL)). The ethanol molar fraction (ethanol-water volume ratio) is the key factor for the solvolysis reaction, and the highest monoaromatic yield of 72.9\% (BEE 10.7\%, BA 19.3\%, Ph 37.9\%, and TL 5.1\%) was obtained in aqueous ethanol solution (2 cm(3) : 1 cm(3) = water:ethanol) at 598 K for 3 h under a pressure of 18 MPa of carbon dioxide. The solvolysis reaction proceeded continuously to produce monoaromatics with a flow system. A monoaromatic yield of 76.7\% (BEE 8.6\%, BA 19.7\%, Ph 39.6\%, and TL 8.9\%) was obtained, and the formation rates were 2.7 x 10(-4) mmol min(-1) for BEE, 6.2 x 10(-4) mmol min(-1) for BA, and 12.4 x 10(-4) mmol min(-1) for Ph at 598 K under flowing water (26 mmol min(-1)), ethanol solution (4.1 mmol min(-1)), carbon dioxide (1.2 mmol min(-1)), and BPE (15.6 x 10(-4) mmol min(-1)) under a total pressure of 40 MPa.

}, issn = {1144-0546}, doi = {10.1039/d3nj01773g}, author = {Taniguchi, Kenkichi and Kusumawati, Etty N. and Nanao, Hidetaka and Rode, Chandrashekhar V. and Sato, Osamu and Yamaguchi, Aritomo and Shirai, Masayuki} } @article {48745, title = {Covalent organic framework cladding on peptide-amphiphile-based biomimetic catalysts}, journal = {Journal of the American Chemical Society}, volume = {145}, year = {2023}, month = {JUN }, pages = {12793-12801}, type = {Article}, abstract = {

Peptide-based biomimetic catalysts are promising materialsforefficient catalytic activity in various biochemical transformations.However, their lack of operational stability and fragile nature innon-aqueous media limit their practical applications. In this study,we have developed a cladding technique to stabilize biomimetic catalystswithin porous covalent organic framework (COF) scaffolds. This methodologyallows for the homogeneous distribution of peptide nanotubes insidethe COF (TpAzo and TpDPP) backbone, creating strong noncovalent interactionsthat prevent leaching. We synthesized two different peptide-amphiphiles,C10FFVK and C10FFVR, with lysine (K) and arginine(R) at the C-termini, respectively, which formed nanotubular morphologies.The C10FFVK peptide-amphiphile nanotubes exhibit enzyme-likebehavior and efficiently catalyze C-C bond cleavage in a buffermedium (pH 7.5). We produced nanotubular structures of TpAzo-C10FFVK and TpDPP-C10FFVK through COF claddingby using interfacial crystallization (IC). The peptide nanotubes encasedin the COF catalyze C-C bond cleavage in a buffer medium aswell as in different organic solvents (such as acetonitrile, acetone,and dichloromethane). The TpAzo-C10FFVK catalyst,being heterogeneous, is easily recoverable, enabling the reactionto be performed for multiple cycles. Additionally, the synthesis ofTpAzo-C10FFVK thin films facilitates catalysis inflow. As control, we synthesized another peptide-amphiphile, C10FFVR, which also forms tubular assemblies. By depositingTpAzo COF crystallites on C10FFVR nanotubes through IC,we produced TpAzo-C10FFVR nanotubular structuresthat expectedly did not show catalysis, suggesting the critical roleof the lysines in the TpAzo-C10FFVK.

}, issn = {0002-7863}, doi = {10.1021/jacs.3c03562}, author = {Kumar Mahato, Ashok and Pal, Sumit and Dey, Kaushik and Reja, Antara and Paul, Satyadip and Shelke, Ankita and Ajithkumar, Thalasseril G. and Das, Dibyendu and Banerjee, Rahul} } @article {48833, title = {Covalent organic framework thin-film photodetectors from solution-processable porous nanospheres}, journal = {Journal of the American Chemical Society}, volume = {145}, year = {2023}, month = {JAN}, pages = {1649-1659}, type = {Article}, abstract = {

The synthesis of homogeneous covalent organic framework (COF) thin films on a desired substrate with decent crystallinity, porosity, and uniform thickness has great potential for optoelectronic applications. We have used a solution-processable sphere transmutation process to synthesize 300 +/- 20 nm uniform COF thin films on a 2 x 2 cm2 TiO2-coated fluorine-doped tin oxide (FTO) surface. This process controls the nucleation of COF crystallites and molecular morphology that helps the nanospheres to arrange periodically to form homogeneous COF thin films. We have synthesized four COF thin films (TpDPP, TpEtBt, TpTab, and TpTta) with different functional backbones. In a close agreement between the experiment and density functional theory, the TpEtBr COF film showed the lowest optical band gap (2.26 eV) and highest excited-state lifetime (8.52 ns) among all four COF films. Hence, the TpEtBr COF film can participate in efficient charge generation and separation. We constructed optoelectronic devices having a glass/FTO/TiO2/COF-film/Au architecture, which serves as a model system to study the optoelectronic charge transport properties of COF thin films under dark and illuminated conditions. Visible light with a calibrated intensity of 100 mW cm-2 was used for the excitation of COF thin films. All of the COF thin films exhibit significant photocurrent after illumination with visible light in comparison to the dark. Hence, all of the COF films behave as good photoactive substrates with minimal pinhole defects. The fabricated out-of-plane photodetector device based on the TpEtBr COF thin film exhibits high photocurrent density (2.65 +/- 0.24 mA cm-2 at 0.5 V) and hole mobility (8.15 +/- 0.64 x10-3 cm2 V-1 S-1) compared to other as synthesized films, indicating the best photoactive characteristics.

}, issn = {0002-7863}, doi = {10.1021/jacs.2c09838}, author = {Bag, Saikat and Sasmal, Himadri Sekhar and Chaudhary, Sonu Pratap and Dey, Kaushik and Blaette, Dominic and Guntermann, Roman and Zhang, Yingying and Poloz, Miroslav and Kuc, Agnieszka and Shelke, Ankita and Vijayaraghavan, Ratheesh K. and Ajithkumar, Thalasseril G. and Bhattacharyya, Sayan and Heine, Thomas and Bein, Thomas and Banerjee, Rahul} } @article {48261, title = {Covalently interconnected layers in g-C3N4: toward high mechanical stability, catalytic efficiency and sustainability}, journal = {Applied Catalysis B: Environmental}, volume = {322}, year = {2023}, month = {MAR}, pages = {122069}, type = {Article}, abstract = {

The grim prospects for the industrial utilization of g-C3N4 nanosheets arise from multi-step processing resulting in low material yields and poor visible light response due to quantum confinement. Herein, we introduce a strategy for linking the adjacent layers of g-C3N4 covalently to realize a high surface area without excess mass loss in a one-step process by introducing diethylene glycol as a precursor that produces-(CH2)2-O-(CH2)2-linkers in-situ. Their presence increases interlayer spacing and introduces surface curvatures, discouraging the stacking of a larger number of layers to produce nanosheets with-3 times higher surface area. Interestingly, unlike other layered materials, the linkers also provide extraordinary mechanical stability against exfoliating forces. In addition, the process instills sub-bandgap states and a considerable visible light response at 500 nm to slow down the picosecond exciton recombination dynamics, resulting in-5 times enhancement in H2 generation efficiency from photocatalytic water-splitting over the bulk sample.

}, keywords = {Layer-linkers, Sustainable synthesis, Transient absorption spectroscopy, water-splitting}, issn = {0926-3373}, doi = {10.1016/j.apcatb.2022.122069}, author = {Roy, Raj Sekhar and Mondal, Sanjit and Mishra, Samita and Banoo, Maqsuma and Sahoo, Lipipuspa and Kumar, Amit and Vinod, C. P. and De, Arijit K. and Gautam, Ujjal K.} } @article {48299, title = {D-A-D-based unsymmetrical thiosquaraine dye for the dye-sensitized solar cells(dagger)}, journal = {Photochemistry and Photobiology}, volume = {99}, year = {2023}, month = {MAR}, pages = {529-537}, type = {Article}, abstract = {

In dye-sensitized solar cell, modulating the electronic properties of the sensitizer by varying the donor, pi-spacer, acceptor and anchoring groups help optimizing the structure of the dye for better device performance. Here, a donor-acceptor-donor-based unsymmetrical thiosquaraine sensitizer (SQ5S) has been designed and synthesized. Photophysical, electrochemical, theoretical and photovoltaic characterizations of SQ5S dye have been compared with its oxygen analog, SQ5. The incorporation of the sulfur atom in the acceptor unit of SQ5S dye showed an intense peak at 688 nm, which was 38 nm of red-shifted and showed the panchromatic light harvesting response with the onset of 850 nm compared with SQ5 dye. The LUMO and HOMO energy levels are well aligned with the conduction band of TiO2 and the redox potential of electrolyte for the charge injection and the dye-regeneration processes, respectively. Photovoltaic efficiency of 1.51\% (V-OC 610 mV, J(SC) 3.07 mA cm(-2), ff 81\%) has been achieved for SQ5S dye, whereas SQ5 showed the device performance of 5.43\% (V-OC 723 mV, J(SC) 9.3 mA cm(-2), ff 80\%). The decreased device performance for the dye SQ5S has been attributed to the favorable intersystem crossing process associated with the photoexcited SQ5S that reduces the driving force for the charge injection process.

}, issn = {0031-8655}, doi = {10.1111/php.13769}, author = {Jadhav, Avinash P. and Singh, Ambarish Kumar and Maibam, Ashakiran and Krishnamurty, Sailaja and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {48474, title = {Design and synthesis of piano-stool ruthenium(II) complexes and their studies on the inhibition of amyloid ? (1-42) peptide aggregation}, journal = {International Journal of Biological Macromolecules}, volume = {239}, year = {2023}, month = {JUN }, pages = {124197}, type = {Article}, abstract = {

Misfolding , protein aggregation have been linked to numerous human neurodegenerative disorders such as Alzheimer{\textquoteright}s, prion , Parkinson{\textquoteright}s diseases. Ruthenium (Ru) complexes have received considerable attention in studying protein aggregation due to their interesting photophysical and photo properties. In this study, we have synthesized the novel Ru complexes ([Ru(p-cymene)Cl(L-1)][PF6](Ru-1), and [Ru(p-cymene)Cl(L-2)][PF6](Ru-2)) and investigated their inhibitory activity against the bovine serum albumin (BSA) aggregation and the A beta 1-42 peptides amyloid formation. Several spectroscopic methods were used to characterize these complexes, and the molecular structure of the complex was determined by X-ray crystallography. Amyloid aggregation and inhi-bition activities were examined using the Thioflavin-T (ThT) assay, and the secondary structures of the protein were analyzed by circular dichroism (CD) spectroscopy and transmission electron microscopy (TEM). The cell viability assay was carried out on the neuroblastoma cell line, revealing that the complex Ru-2 showed better protective effects against A beta 1-42 peptide toxicity on neuro-2a cells than the complex Ru-1. Molecular docking studies elucidate the binding sites and interactions between the Ru-complexes and A beta 1-42 peptides. The exper-imental studies revealed that these complexes significantly inhibited the BSA aggregation and A beta 1-42 amyloid fibril formation at 1:3 and 1:1 molar concentrations, respectively. Antioxidant assays demonstrated that these complexes act as antioxidants, protecting from amyloid-induced oxidative stress. Molecular docking studies with the monomeric A beta 1-42 (PDB: 1IYT) show hydrophobic interaction, and both complexes bind preferably in the central region of the peptide and coordinate with two binding sites of the peptide. Hence, we suggest that the Ru-based complexes could be applied as a potential agent in metallopharmaceutical research against Alzheimer{\textquoteright}s disease.

}, keywords = {Aggregation, Amyloid ?(1-42) peptide, DFT computation, Fibrillization, Molecular docking, Ruthenium complexes}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2023.124197}, author = {Singh, Sain and Navale, Govinda R. and Agrawal, Sonia and Singh, Haobam Kisan and Singla, Labhini and Sarkar, Dhiman and Sarma, Manabendra and Choudhury, Anghuman Roy and Ghosh, Kaushik} } @article {48822, title = {Design, synthesis, and in vitro biological evaluation of ROS-generating phenanthridin-trione-epoxide conjugates as agents against mycobacterium tuberculosis}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {JUL }, pages = {e202300416}, type = {Article}, abstract = {

Tuberculosis (TB) is one of the devasting infectious diseases and continues to spread among people despite having several specific drugs. Total eradication of TB is one of the shared interests of both the World Health Organization (WHO) and India globally. A library of antitubercular 6-((1-(aryl/heteroaryl)-1H-1,2,3-triazol-4-yl)methyl)oxireno[2,3-b] phenanthridine-5,7,9(6H,7aH,8aH)-trione (6 a-e) has been prepared in five steps including click chemistry and tested against active and dormant strains of Mycobacterium tuberculosis H37Ra using XRMA protocol. The result showed the inhibitory potential of 6 d IC50 at 0.74 \& mu;g/mL concentration against active strain and at 0.9 \& mu;g/mL against the dormant strain of Mtb. ROS generating ability of the compounds has been confirmed by luminol, H2O2, and glutathione assays. The molecular docking with the thioredoxin protein of Mtb showed a docking score of -9.6 Kcal/mol. To understand the mechanism with the thioredoxin protein of Mtb, the adduct formation of compounds with cystine was confirmed with HPLC. The involvement of lead molecules with existing drugs can be helpful in the eradication of tuberculosis.

}, keywords = {antimycobacterial agents, Computational docking, Cystine adduct, Epoxy-Phenanthridinone-triazoles, ROS generation}, issn = {2365-6549}, doi = {10.1002/slct.202300416}, author = {Mamgain, Ritu and Swami, Sagar and Sarkar, Dhiman and Srivastava, Pratibha} } @article {48443, title = {Developing a mealybug pheromone monitoring tool to enhance IPM practices in New Zealand vineyards}, journal = {Journal of Pest Science}, volume = {96}, year = {2023}, month = {JAN}, pages = {29-39}, type = {Article}, abstract = {

Mealybugs are phloem-feeding insects found on many crops worldwide. In New Zealand vineyards, they transmit the economically important Grapevine leafroll-associated virus 3 (GLRaV-3). For some mealybug species, synthetic sex pheromones have been commercialised, and are used as monitoring tools. The mealybugs Pseudococcus longispinus and Pseudococcus calceolariae are major pests in many New Zealand vineyards. We present work on the development of a combined P. longispinus and P. calceolariae pheromone lure. The optimal dose for monitoring P. longispinus was found to be 10 mu g of the (S)-(+)-enantiomer, either alone or in the racemic mixture. Addition of the corresponding alcohol did not improve trap catch of P. longispinus. Both the P. longispinus and the P. calceolariae pheromone lures remained active in the field for 90 days. Combining the 2 species{\textquoteright} pheromones had no negative effects on male mealybug trap catch for either species. We conclude that the pheromone ester alone is the best lure for the male P. longispinus. Combining the two mealybug species{\textquoteright} pheromones into a single lure provides the New Zealand viticultural industry with an efficient monitoring tool. Late-vintage deployment of baited lures will provide information on mealybug abundance and local distribution that will inform the scope of future insecticide programmes, to target areas based on need rather than an area-wide application by default.

}, keywords = {Citrophilus mealybug, Integrated pest management (IPM), Long-tailed mealybug, monitoring, Pseudococcus calceolariae, Pseudococcus longispinus}, issn = {1612-4758}, doi = {10.1007/s10340-022-01504-5}, author = {Sullivan, Nicola J. and Bell, Vaughn A. and Butler, Ruth C. and Wallis, Roger and Ramesh, Remya and Reddy, D. Srinivasa and Twidle, Andrew M. and Bunn, Barry and Unelius, C. Rikard and Manning, Lee-Anne M. and Suckling, David M.} } @article {48736, title = {Differential membrane curvature induced by distinct protein conformers}, journal = {Soft Matter}, volume = {19}, year = {2023}, month = {JUN }, pages = {4021-4028}, type = {Article}, abstract = {

Membrane topology changes are associated with various cellular processes and are modulated by synergistic effects between lipid composition and membrane-associated proteins. However, how protein shape or conformational dynamics couples to membrane molecular properties remains unclear. In this work, we aim to investigate this coupling behavior using the curvature-inducing protein caveolin-1. We considered distinct protein conformers of the helical hairpin protein corresponding to different protein shapes, such as the wedge and the banana-shaped conformers. The different protein conformers were simulated in a coarse-grain representation in the presence of cholesterol-sphingomyelin rich membrane. We observed that membrane curvature is dependent on protein shape and is the lowest for the wedge conformer and maximal for the banana conformer. The differences in the net stress between the two membrane leaflets, calculated from the lateral pressure profile distributions in lipid bilayers for different protein conformers, show a similar trend. In conjunction, we show that cholesterol and sphingomyelin clustering in the membrane is modulated by protein shape. Overall, our results provide molecular-level insights into the coupling between membrane topology, protein shape and lipid clustering in cell membranes.

}, issn = {1744-683X}, doi = {10.1039/d3sm00218g}, author = {Malshikare, Hrushikesh and Prakash, Shikha and Sengupta, Durba} } @article {48741, title = {Direct conversion of N-acetyl-d-glucosamine to N-containing heterocyclic compounds 3-acetamidofuran and 3-acetamido-5-acetyl Furan}, journal = {Waste and Biomass Valorization}, volume = {14}, year = {2023}, month = {DEC}, pages = {4201-4214}, type = {Article}, abstract = {

Purpose Effectual waste utilization from plant as well as marine biomass has gained tremendous importance with reference to sustainability. The valorization of marine biomass produces value added compounds containing not only C, H, O but also renewable N atom in the skeleton which widens the scope for its exploration which may prove to be economically beneficial to the society. Heterogeneous catalytic transformation of marine biomass i.e. N-acetyl glucosamine (NAG) to N-substituted aromatic heterocyclic furan derivatives is reported for the very first time. Cost effective and stable metal oxide catalysts were deployed for the transformation. Catalyst screening study showed that La2O3 was found to be an excellent catalyst for N-acetyl glucosamine (NAG) dehydration which mainly produced 3-acetamidofuran (3AF). Methods The physicochemical properties of the metal oxide catalyst were investigated by various techniques such as XRD, FTIR, MeOH-FTIR, TPD, SEM, N-2 sorption studies and HR-TEM analysis for structure activity relationship. Results The effect of various reaction parameters such as catalyst concentration, reaction temperature, reaction time and solvent effect on dehydration of N-acetyl glucosamine has been studied in detail for higher yields. The results revealed that the presence of weak basic sites which are Bronsted in nature and nano pores present on the surface were responsible for improved dehydration of the chitin biomass to selectively yield 3-acetamidofuran (3AF). La2O3 catalyst showed optimum 50\% 3AF yield from N-acetyl glucosamine at 180 degrees C in 3 h. Conclusion Efficacious exploitation of marine biomass to value added chemicals using heterogeneous catalysts can be extensively exploited. Separation of N-substituted heterocyclic aromatics is the most innovative aspect of the current study. Thus, utilization of heterogeneous catalyst and renewable biomass as a raw material indicates a transition towards more sustainable and greener approach.{GRAPHICAL ABSTRACT

}, keywords = {3-acetamido-5-acetylfuran, 3-acetamidofuran, dehydration, heterogeneous catalysis, Lanthanum oxide, N-acetyl-D-glucosamine, renewable feedstock}, issn = {1877-2641}, doi = {10.1007/s12649-023-02127-2}, author = {Shaikh, Samrin S. and Patil, Chetana R. and Lucas, Nishita and Bokade, Vijay V. and Rode, Chandrashekhar V.} } @article {48734, title = {Donor-acceptor-based two-dimensional polymer as a supercapacitor electrode with long cycling stability}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {OCT }, pages = {18049-18054}, type = {Article}, abstract = {

The high demand for energy and energy-storage devices urged organic 2D polymers as a potential candidate in this area. One of the major attractions of 2D polymers in electrochemical applications is their long cycling stability due to their rigid and porous structure. Herein, we developed a 2D polymer comprised of donor-acceptor units exhibiting reasonably good performance as a supercapacitor. The 2D polymer displayed a maximum specific capacitance of 218 F g-1 at a current rate of 0.1 A g-1, a higher power density of 4648.35 W kg-1, and an energy density of 7.05 W h kg-1. In a cycling stability test, it demonstrated a capacitance retention of 70\% over 10 000 continuous charge-discharge cycles at a current rate of 2.5 A g-1. Such long cycling stability was attributed to the donor-acceptor units and the crystalline nature of the polymer. The sensible selection of the building blocks of the 2D polymers is crucial for the performance and hence provides scope for improvement. An organic donor-acceptor-based 2D polymer, a promising candidate for energy storage devices, displays a specific capacitance of 218 F g-1, a power density of 4648.35 W kg-1, an energy density of 7.05 W h kg-1, and a capacitance retention of 70\% over 10 000 cycles.

}, issn = {1144-0546}, doi = {10.1039/d3nj02510a}, author = {Bhagyasree, T. M. and Puthiyaveetil, Priyanka Pandinhare and Kumar, Viksit and Asokan, Kiran and Sreekumar, K. and Babu, Sukumaran Santhosh} } @article {48796, title = {Double encapsulation of liquid active compounds using nanoclay reinforced polyurea microcapsules}, journal = {Colloids and Surfaces A-Physicochemical and Engineering Aspects}, volume = {679}, year = {2023}, month = {DEC}, pages = {132547}, type = {Article}, abstract = {

In recent years, there has been growing interest in the double encapsulation of drugs, agrochemicals, and fragrances, aiming to achieve the highest encapsulation efficiency and preserve the activity of the encapsulated core over an extended duration. However, when active ingredients in liquid form are double encapsulated, preventing the rupture of primary microcapsules during the second encapsulation process and the leakage of the encapsulated core are major challenges. This report describes a method that utilizes polyurea and starch for successful double encapsulation of dimethyl phthalate (DMP), a liquid insect-repellent, as a model active component. We demonstrate that the incorporation of 3 wt\% montmorillonite (MMT) nanoclay strengthens the polyurea wall of the primary microcapsule and prevents its rupture during double encapsulation with starch. This process facilitates the uniform distribution of polyurea microcapsules within the starch matrix and significantly improves the mechanical integrity of the nanocomposite microcapsules embedded in starch. The double-encapsulated system developed in this study significantly reduces the release rate of encapsulated DMP.

}, keywords = {Controlled release, Double encapsulation, Microcapsules, Microencapsulation, Nanocomposites, Starch matrix}, issn = {0927-7757}, doi = {10.1016/j.colsurfa.2023.132547}, author = {Aher, Yogeshwar P. and Torris, Arun and Adhikari, Benu and Shukla, Ravi and Shanmuganathan, Kadhiravan} } @article {48787, title = {Dual-mode porous and highly graphitized 3D nitrogen-doped carbon network as an advance anode material for sodium-ion batteries}, journal = {Journal of Physical Chemistry C}, volume = {127}, year = {2023}, month = {JUL}, pages = {14053-14064}, type = {Article}, abstract = {

The practical application of hard carbons as the mostappealinganode material for sodium-ion batteries is hampered by their poorcycling and rate performances, emanating from poor electrochemicalstability, low electroconductivity, and sluggish Na+ transport.Designing a single remedial method for these challenges often involvescomplex and energy-intensive processes, contradicting the core conceptof cost-effectiveness for practical energy storage technology. Herein,we employed trifunctional silica (SiO2): as colloidal silicato ice template micron-sized pores, as a hard template for nanopores,and as a catalyst for the graphitization of carbon for the synthesisof a highly graphitized, efficiently nitrogen-doped, high-surface-area,three-dimensional porous carbon network (3D PNC) with dual-mode porosity(nanopores and micron-sized pores). As an anode material, the obtained3D PNC exhibits a reversible capacity of 262 mAh g(-1) at a current density of 100 mA g(-1), an ultrahighrate capability of 173 mAh g(-1) at 1 A g(-1), and a stable cycling life of 1000 cycles at a high current densityof 100 mA g(-1) with almost 100\% capacity retention.The galvanostatic intermittent titration technique (GITT) revealsfacile sodium diffusion kinetics with an average diffusion coefficientof an order of \& SIM;10(-9) (cm(2) s(-1)), which is fairly low compared to most reported HCanodes for SIBs. This work demonstrates how a merger of two or moresynthesis methodologies can be employed for the advanced microstructureengineering of carbon materials, opening up new avenues for the rationaldesign of anode materials in SIBs.

}, issn = {1932-7447}, doi = {10.1021/acs.jpcc.3c01773}, author = {Dar, Mudasir and Suresh, Karthika and Majid, Kowsar and Wahid, Malik} } @article {48675, title = {Dynamic heterogeneity in polydisperse systems: a comparative study of the role of local structural order parameter and particle size}, journal = {Journal of Chemical Physics}, volume = {159}, year = {2023}, month = {JUL}, pages = {044501}, type = {Article}, abstract = {

In polydisperse systems, describing the structure and any structural order parameter (SOP) is not trivial as it varies with the number of species we use to describe the system, M. Depending on the degree of polydispersity, there is an optimum value of M = M-0 where we show that the mutual information of the system increases. However, surprisingly, the correlation between a recently proposed SOP and the dynamics is highest for M = 1. This effect increases with polydispersity. We find that the SOP at M = 1 is coupled with the particle size, s, and this coupling increases with polydispersity and decreases with an increase in M. Careful analysis shows that at lower polydispersities, the SOP is a good predictor of the dynamics. However, at higher polydispersity, the dynamics is strongly dependent on s. Since the coupling between the SOP and s is higher for M = 1, it appears to be a better predictor of the dynamics. We also study the Vibrality, an order parameter independent of structural information. Compared to SOP, at high polydispersity, we find Vibrality to be a marginally better predictor of the dynamics. However, this high predictive power of Vibrality, which is not there at lower polydispersity, appears to be due to its stronger coupling with s. Therefore, our study suggests that for systems with high polydispersity, the correlation of any order parameter and s will affect the correlation between the order parameter and dynamics and need not project a generic predictive power of the order parameter.

}, issn = {0021-9606}, doi = {10.1063/5.0156794}, author = {Patel, Palak and Sharma, Mohit and Bhattacharyya, Sarika Maitra} } @article {48830, title = {Early cellular events and potential regulators of cellulase induction in Penicillium janthinellum NCIM 1366}, journal = {Scientific Reports}, volume = {13}, year = {2023}, month = {MAR}, pages = {5057}, type = {Article}, abstract = {

Cellulase production by fungi is tightly regulated in response to environmental cues, and understanding this mechanism is a key pre-requisite in the efforts to improve cellulase secretion. Based on UniProt descriptions of secreted Carbohydrate Active enZymes (CAZymes), 13 proteins of the cellulase hyper-producer Penicillium janthinellum NCIM 1366 (PJ-1366) were annotated as cellulases- 4 cellobiohydrolases (CBH), 7 endoglucanases (EG) and 2 beta glucosidases (BGL). Cellulase, xylanase, BGL and peroxidase activities were higher for cultures grown on a combination of cellulose and wheat bran, while EG was stimulated by disaccharides. Docking studies indicated that the most abundant BGL- Bgl2- has different binding sites for the substrate cellobiose and the product glucose, which helps to alleviate feedback inhibition, probably accounting for the low level of glucose tolerance exhibited. Out of the 758 transcription factors (TFs) differentially expressed on cellulose induction, 13 TFs were identified whose binding site frequencies on the promoter regions of the cellulases positively correlated with their abundance in the secretome. Further, correlation analysis of the transcriptional response of these regulators and TF-binding sites on their promoters indicated that cellulase expression is possibly preceded by up-regulation of 12 TFs and down-regulation of 16 TFs, which cumulatively regulate transcription, translation, nutrient metabolism and stress response.

}, issn = {2045-2322}, doi = {10.1038/s41598-023-32340-x}, author = {Christopher, Meera and Sreeja-Raju, Athiraraj and Abraham, Amith and Gokhale, Digambar Vitthal and Pandey, Ashok and Sukumaran, Rajeev K.} } @article {48731, title = {Effect of microwave heating on the residence time distribution in a tubular reactor}, journal = {Industrial \& Engineering Chemistry Research}, volume = {62}, year = {2023}, month = {AUG }, pages = {19381-19389}, type = {Article}, abstract = {

Microwave(MW) heating has been revolutionary in various applications,including chemical synthesis. A nonconventional heating approach reducesthe reaction time significantly. For a continuous flow tubular reactorunder microwaves, the temperature would change from the inlet to theoutlet depending on the dielectric constant of the reaction mass,which would further change the physical properties, viz., the densityand viscosity of the material. Such changes in the physical propertieswould lead to nonideal flows and would affect the conversion as wellas selectivity for reactions. In order to understand the extent ofsuch a nonideality, here for the first time we have done systematicstudies of the residence time distribution in a helical coil reactor.The axial dispersion model has been modified to take into accountthe temperature-dependent physical properties of the fluid. The empiricalcorrelation for the dispersion number is obtained over the range of450 \& LE; P (W) \& LE; 1200 and 60 \& LE; T (\& DEG;C) \& LE; 150. This study will help model thereaction kinetics as well as reactor design under microwave specificallyfor heat sensitive reactions where variations in the overall residencetime would affect the yield and selectivity of the end product.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.3c01243}, author = {Sonawane, Jayesh R. and Kulkarni, Amol A.} } @article {48821, title = {The effect of substituents on the aggregation-induced emission of 9,10-phenanthraquinone-hydrazones}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {AUG }, pages = {15066-15075}, type = {Article}, abstract = {

Organic luminophores, particularly \& pi;-conjugated systems, have become crucial in modern optoelectronic devices that utilise luminescence as an output signal, requiring aggregate or solid-states, such as nanoparticles, thin films, or crystals. Herein, we report the one-step synthesis of six hydrazone derivatives using condensation reactions between 9,10-phenanthrenedione and different aromatic hydrazines, comprising electron-donating/electron-withdrawing groups and a quinoline moiety. The introduction of a conjugated \& pi;-system leads to complete co-planarization of molecules resulting in large bathochromic shifts in their absorption profile, the maximum red-shifts ever observed for the hydrazones. These hydrazones are weakly fluorescent in dilute acetonitrile solutions. However, they exhibit enhanced emissions of up to 300-fold in aggregated states. Dynamic light scattering (DLS) and scanning electron microscopy (SEM) studies support nanoaggregate formation. All the compounds exhibit red to NIR emissions in their crystalline state with as high as 75\% quantum efficiency.

}, issn = {1144-0546}, doi = {10.1039/d3nj02198j}, author = {Kumar, M. Naveen and Lyngkhoi, Deikrisha Lyngdoh and Gaikwad, Sudhakar and Samanta, Debabrata and Khatua, Snehadrinarayan and Pramanik, Susnata} } @article {48777, title = {Effective distribution of gold nanorods in ordered thick mesoporous silica: a choice of noninvasive theranostics}, journal = {ACS Applied Materials \& Interfaces}, volume = {15}, year = {2023}, month = {OCT }, pages = {47615-47627}, type = {Article}, abstract = {

Porous silica coated gold nanorod core-shell structures demonstrate a multifunctional role in bioimaging, drug delivery, and cancer therapeutics applications. Here, we address a new approach for effective distribution of gold nanorods (GNRs) in a mesoporous silica (MS) shell, viz., one nanorod in one silica particle (GMS). We have studied that silica coating presents major advantages for the better biocompatibility and stability of GNRs. In this study, two different thicknesses of silica shell over GNRs have been discussed as per the application{\textquoteright}s need; GNRs in thin silica (11 nm) are fit for phototherapy and bioimaging, whereas thick and porous silica (51 nm) coated gold nanorods are suitable for triggered drug delivery and theranostics. However, effective distribution of GNRs in ordered architecture of thick mesoporous silica (MS, more than 50 nm thickness) with high surface area (more than 1000 m(2)/g) is not well understood so far. Here, we present methodical investigations for uniform and highly ordered mesoporous silica coating over GNRs with tunable thickness (6 to 51 nm). Judicious identification and optimization of different reaction parameters like concentrations of silica precursor (TEOS, 1.85-43.9 mM), template (CTAB, 0.9-5.7 mM), effect of temperature, pH (8.6-10.8), stirring speed (100-400 rpm), and, most importantly, the mode of addition of TEOS with GNRs have been discussed. Studies with thick, porous silica coated GNRs simplify the highest ever reported surface area (1100 m(2)/g) and cargo capacity (57\%) with better product yield (g/batch). First and foremost, we report a highly scalable (more than 500 mL) and rapid direct deposition of an ordered MS shell around GNRs. These engineered core-shell nanoparticles demonstrate X-ray contrast property, synergistic photothermal-chemotherapeutics, and imaging of tumor cell (96\% cell death) due to released fluorescent anticancer drug molecules and photothermal effect (52 degree celsius) of embedded GNRs. A deeper insight into their influence on the architectural features and superior theranostics performances has been illustrated in detail. Hence, these findings indicate the potential impact of individual GMS for image guided combination therapeutics of cancer.

}, keywords = {CombinationTherapy, Contrast Agent, Core-ShellStructure, GoldNanorods, Imaging, Mesoporous silica, Nanoparticles, TheranosticsIntervention}, issn = {1944-8244}, doi = {10.1021/acsami.3c06108}, author = {Prasad, Rajendra and Selvaraj, Kaliaperumal} } @article {48294, title = {Efficient and convenient heterogeneous Cu/MCM-41 catalyst for the synthesis of 7,10,11,12-tetrahydrobenzo[c]acridin-8(9H)-one derivatives}, journal = {Research on Chemical Intermediates}, volume = {49}, year = {2023}, month = {APR}, pages = {1581-1600}, type = {Article}, abstract = {

An efficient and convenient method for synthesis of 7,10,11,12-tetrahydrobenzo[c]acridin-8(9H)-one derivatives using Cu/MCM-41 (20 mg) as heterogeneous catalyst. The advantages have an excellent product yield within a short time and easy work-up procedure, and the products have directly recrystallized from hot methanol with cost-effective catalyst. One-pot three-component reaction from aromatic aldehydes, cyclic 1,3-dicarbonyl compounds, and 1-naphthyl amine has been carried under ethanol as a solvent with reflux condition. Moreover, the catalyst can be recovered conveniently and reused efficiently, and recyclable. [GRAPHICS] .

}, keywords = {Benzo[c]acridine, dimedone, Heterogeneous Cu/MCM-41 catalyst, Multicomponent one-pot reaction}, issn = {0922-6168}, doi = {10.1007/s11164-023-04962-3}, author = {Dhengale, Shankar D. and Bhosale, Tanaji R. and Shinde, Sachin B. and Rode, Chandrashekhar V. and Kolekar, Govind B. and Anbhule, Prashant V.} } @article {48729, title = {Enantioselective intramolecular decarboxylative C-H bond func-tionalization of quinazolinones with amino acids by visible light photoredox catalysis}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {JUL}, type = {Article}, abstract = {

The direct visible light-mediated intramolecular decarboxylative C-H functionalization of Csp(2)-H bond adjacent to the nitrogen of a heteroarene has been achieved by iridium-catalyzed photodecarboxylative radical cyclization. This method offers rapid entry to the synthesis of quinazolinone scaffolds from easily accessible starting materials. The newly developed protocol is mild, operationally simple, oxidant free and general. The utility of this unique Csp(3)-Csp(2) bond forming reaction has been demonstrated in the syntheses of Circumdatin, Sclerotigenine and Benzomalvin A class of quinazolinone natural products and their congeners. The present work represents an interesting example of use of memory of chirality in decarboxylative C-C bond forming enantioselective photoredox reaction.

}, keywords = {C-H functionalization, memory of chirality, Minisci reaction, photodecarboxylative cyclization, photoredox catalysis, quinazolinone alkaloid, Radical}, issn = {1861-4728}, doi = {10.1002/asia.202300235}, author = {Sonavane, Sameer R. and Mhaske, Santosh B.} } @article {48755, title = {Enhancing diradical character of chichibabin{\textquoteright}s hydrocarbon through fluoride substitution}, journal = {ChemPlusChem}, volume = {88}, year = {2023}, month = {AUG}, pages = {e202300273}, type = {Article}, abstract = {

In this work, 5-SIDipp [SIDipp=1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene] (1) derived Chichibabin{\textquoteright}s hydrocarbon with an octafluorobiphenylene spacer (3) has been reported. The addition of two equivalents of 5-SIDipp with decafluorobiphenyl in presence of BF3 gives the double C-F bond activated imidazolium salt with two tetrafluoroborate anions, 2. Further reduction of 2 gives the fluorine substituted 5-SIDipp based Chichibabin{\textquoteright}s hydrocarbon, 3. Quantum chemical calculations suggested a singlet state of 3 with a singlet-triplet energy gap (?ES-T) of 3.7 kcal mol(-1), which is substantially lower with respect to the hydrogen substituted NHC-based Chichibabin{\textquoteright}s hydrocarbons (10.7 kcal mol(-1), B3LYP). As a result, the diradical character (y) of 3 (y=0.62) is also noticeably higher than the hydrogen substituted CHs (y=0.41-0.43). The ?ES-T was found to be higher in CASSCF (22.24 kcal mol(-1)) and CASPT2 (11.17 kcal mol(-1)) for 3 and the diradical character (d) is 44.6 \%.

}, keywords = {C-F Bond Activation, Chichibabin \& PRIME, DFT, N-Heterocyclic carbene, s Hydrocarbon}, issn = {2192-6506}, doi = {10.1002/cplu.202300273}, author = {Kundu, Gargi and Dash, Soumya Ranjan and Kumar, Ravi and Vanka, Kumar and Ghosh, Aryya and Sen, Sakya S.} } @article {48702, title = {Equilibrium adsorption of nitrogen, oxygen, and argon on silver-exchanged hierarchical ETS-10}, journal = {Journal of Chemical and Engineering Data}, volume = {68}, year = {2023}, month = {JUL}, pages = {2159-2172}, type = {Article}, abstract = {

Silver-exchanged hierarchical ETS-10(Ag-H-ETS-10) was synthesizedusing Ag+ exchange with hierarchical Engelhard titanosilicate(H-ETS-10) using silver nitrate solution. The physical propertiesof the adsorbent were analyzed using X-ray diffraction (XRD), BETsurface area, nitrogen adsorption-desorption, pore volume,energy dispersive spectroscopy (EDS), and high resolution-transmissionelectron microscopy (HR-TEM). N-2 physisorption data confirmedthat a micro-mesoporous (bimodal) structure was created in the Ag-H-ETS-10.The equilibrium adsorbent data of pure gases N-2, O-2, and Ar were investigated in the temperature range from 288to 318 K up to 10 bar. The equilibrium adsorption capacity of Ag-H-ETS-10was found to be 1.12 mmol g(-1) for N-2,0.87 mmol g(-1) for O-2, and 1.09 mmol g(-1) for Ar at 298 K and \& SIM;10 bar. \& SIM;20\% higheradsorption capacity was found for N-2 and Ar in Ag-H-ETS-10compared to Ag-ETS-10. The higher sorption capacity was attributedto the formation of a bimodal structure and \& pi;-complexation interactionby the Ag cation, which allows a multilayer of N-2 and Armolecules. The Sips isotherm model was well fitted for the Ag-H-ETS-10experimental data among Langmuir, Freundlich, Toth, and Temkin models.The measured equilibrium adsorption data for Ag-H-ETS-10 can be usefulfor the O-2 purification process.

}, issn = {0021-9568}, doi = {10.1021/acs.jced.3c00124}, author = {Shrotri, Aadesh R. and Niphadkar, Prashant S. and Bokade, Vijay V. and Nandanwar, Sachin U.} } @article {48445, title = {Expounding lemonal terpenoids as corrosion inhibitors for copper using DFT based calculations}, journal = {Applied Surface Science}, volume = {614}, year = {2023}, month = {MAR}, pages = {156066}, type = {Article}, abstract = {

The most important bottleneck in identifying an innovative and yet viable corrosion inhibitor for copper surfaces is discerning the chemical interactions at the interface of adsorbate and adsorbent. The present work, primarily, discerns the interface chemistry of green corrosion inhibitors, viz., lemonal terpenoids, with the copper surfaces for the first time. The interface chemistry is evaluated for distinct facets of copper, modelled by periodic surfaces to finite sized aggregates, with two stereoisomers viz., citral and neral through density functional calculations. The adsorption/ interaction properties between the surface and the corrosion inhibiting molecule are analysed through the electronic properties such as density of states, charge density difference plots and Bader charges where in distinct bonding mechanisms are identified as a function of varying facets. Apart from the adsorption properties, molecular packing properties are of paramount importance towards the design of an efficient corrosion inhibitor for a surface. Hence, we also analyse the intermolecular stacking energies between the inhibitors when packed among themselves in vacuum and when adhered on to metal surfaces. The studies bring forth an understanding that lemon terpenoids are highly potential corrosion inhibitors for copper surfaces, particularly, for Cu (110) surfaces both in neutral and protonated form.

}, keywords = {Copper surface, Density Functional Theory (DFT), Green corrosion inhibitors, Interface chemistry, Lemonal terpenoids, Molecular stacking}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2022.156066}, author = {Samal, Pragnya Paramita and Singh, Chandrodai Pratap and Krishnamurty, Sailaja} } @article {48266, title = {FeCl2-catalyzed rearrangement of aryl peroxyoxindole into 1,3-benzooxazin-4-One}, journal = {Advanced Synthesis \& Catalysis}, volume = {365}, year = {2023}, month = {FEB}, pages = {515-521}, type = {Article}, abstract = {

We report an FeCl2-catalyzed radical rearrangement of aryl peroxyoxindoles into 1,3-benzooxazin-2-ones to obtain a variety of aryl substituted 1,3-benzooxazin-4-ones in moderate to good yields. Mechanistically, this skeletal rearrangement of peroxyoxindoles proceeded via radical pathway and was well supported with a series of experimental findings and DFT studies.

}, keywords = {1, 3-Benzooxazin-4-one, FeCl2, Peroxyoxindole, rearrangement, Ring expansion}, issn = {1615-4150}, doi = {10.1002/adsc.202201308}, author = {Mohanta, Nirmala and Samal, PragnyaParamita and Krishnamurty, Sailaja and Gnanaprakasam, Boopathy} } @article {48699, title = {Ferroelectric polarization and iron substitution synergistically boost electrocatalytic oxygen evolution reaction in bismuth oxychloride nanosheets}, journal = {Langmuir}, volume = {39}, year = {2023}, month = {AUG }, pages = {11414-11425}, type = {Article}, abstract = {

Ferroelectric materials have gained significant interestin variouskinds of water splitting, but the study of ferroelectric materialsfor electrocatalytic water splitting is in its infancy. Ferroelectricmaterials have spontaneous polarization below their Curie temperaturedue to dipolar alignment, which results in surface charges. In 2Dferroelectric materials, spontaneous polarization depends on thickness.Herein, we report that thickness-dependent ferroelectric polarizationin 2D nanosheets can also accelerate the oxygen evolution reaction(OER) along with the tailored active surface area of exposed crystallinefacets, which improves the electrocatalytic activity relatively. Iron-substitutedBiOCl nanosheets of varying thickness are fabricated by varying thepH using a facile coprecipitation method. The substituted iron enhancespolarization and electrochemical active sites on the surface. Thefindings in this study show that the exposed (001) facet and higherthickness of the nanosheets have high ferroelectric polarization and,in turn, superior electrocatalytic activity and remarkable stability,requiring low overpotentials (348 mV and 270 mV at 100 mA/cm(2) and 10 mA/cm(2)) in alkaline (1.0 M KOH) electrolyte. Asthe thickness of the nanosheets is decreased from 140 to 34 nm, theelectrocatalytic performance of iron-substituted BiOCl nanosheetsstarts to reduce due to the lower Coulomb-Coulomb interactionand the increasing depolarization.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c01272}, author = {Singh, Dinesh and Joshi, Bhavana and Poddar, Pankaj} } @article {48329, title = {Few-layer graphene lithiophilic and sodiophilic diffusion layer on porous stainless steel as lithium and sodium metal anodes}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {APR }, type = {Article}, abstract = {

In order to subdue the obvious problem of uneven electric field distribution on regularly used copper/aluminum current collectors for alkali metal batteries, graphene on porous stainless steel (pSS_Gr) was fabricated using the ion etching technique that is employed as an effective host for lithium and sodium metal anodes. The binder-free pSS_Gr demonstrated stable Li plating and stripping at areal current and capacity of 6 mA cm(-2) and 2.54 mAh cm(-2), respectively, for over 1000 cycles with 98\% coulombic efficiency (C.E.). Also, in the case of Na metal anode, the host has shown stable performance at 4 mA cm(-2) and 1 mAh cm(-2) over 1000 cycles with similar to 100\% C.E.. Further, a full cell composed of Li-plated pSS_Gr as an anode and LiFePO4 as a cathode is electrochemically tested at 50 mA g(-1) current density with stable 100 cycles.

}, keywords = {Few layer graphene, Free-standing, Li and Na metal functional host, Na depth profiles, post-cycling XPS}, issn = {1861-4728}, doi = {10.1002/asia.202300068}, author = {Patrike, Apurva and Wasnik, Kundan and Shelke, Manjusha V.} } @article {48295, title = {Food-grade xylitol production from corncob biomass with acute oral toxicity studies}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {39}, year = {2023}, month = {APR}, pages = {102}, type = {Article}, abstract = {

Xylitol, a sugar substitute, is widely used in various food formulations and finds a steady global market. In this study, xylitol crystals were produced from corncob by fermentation (as an alternative to the chemical catalytic process) by a GRAS yeast Pichia caribbica MTCC 5703 and characterized in detail for their purity and presence of any possible contaminant that may adversely affect mammalian cell growth and proliferation. The acute and chronic oral toxicity trials demonstrated no gross pathological changes with average weekly weight gain in female Wistar rats at high xylitol loading (LD50 \> 10,000 mg/kg body weight). The clinical chemistry analysis supported the evidence of no dose-dependent effect by analyzing blood biochemical parameters. The finding suggests the possible application of the crystals (\> 98\% purity) as a food-grade ingredient for commercial manufacture pending human trials.

}, keywords = {Acute oral toxicity, Corncob, Fermentation, Shelf life analysis, xylitol}, issn = {0959-3993}, doi = {10.1007/s11274-023-03542-2}, author = {Dasgupta, Diptarka and Ahuja, Vishal and Singh, Raghuvir and More, Snehal and Mudliar, Sandeep and Kumar, Madan} } @article {48258, title = {Functionalized Mo2BX2 (X = H, OH, O) MBenes as a promising sensor, capturer and storage material for environmentally toxic gases: A case study of 1T and 2H phase}, journal = {Applied Surface Science}, volume = {615}, year = {2023}, month = {APR }, pages = {156299}, type = {Article}, abstract = {

MBenes analogous to MXenes, exfoliated from the bulk MAB phase (M = transition metal, A = IIIA and IVA group, and B = boron) have appeared as promising two dimensional (2D) materials due to their intriguing properties. Here, we report the 2D 1T-2H-phase of Mo2B with their functionalized derivatives Mo2BX2 (X= H, OH, O) and investigate their structural, electronic, and adsorption behavior of toxic gases using the first-principles calculations. This study finds that pristine and functionalized MBenes have dynamic and thermal stability and possess metallic nature in both phases. Based on adsorption behavior and comparison with other 2D materials, we find that pristine MBenes are a desirable adsorbent for NO2, SO2, and CO2 capture. In contrast, the moderate adsorption energies for functionalized MBenes-NH3 systems reveal good sensitivity for NH3 gas detection in both phases. In particular, 2H-Mo2BH2 has higher CT (-0.11e) and appropriate adsorption energy (-0.30 eV), leads a shorter recovery time. Further, DOS calculations reveal that the electrical conducting behavior of MBenes makes them suitable for NH3 detection with a short recovery time. Our results would provide the first insight into the surface-functionalized effect on the structural and electronic properties of the MBenes, and shed light on the application of MBenes for the sensing and catalyst of typical toxic and greenhouse gases, respectively.

}, keywords = {Adsorption energy, First-principles study, Functionalization, Gas sensing, MBenes}, issn = {0169-4332}, doi = {10.1016/j.apsusc.2022.156299}, author = {Shukla, Aarti and Sharma, Gautam and Krishnamurty, Sailaja} } @article {48338, title = {G4-binding drugs, chlorpromazine and prochlorperazine, repurposed against COVID-19 infection in hamsters}, journal = {Frontiers in Molecular Biosciences}, volume = {10}, year = {2023}, month = {MAR }, pages = {1133123}, type = {Article}, abstract = {

The COVID-19 pandemic caused by SARS-CoV-2 has caused millions of infections and deaths worldwide. Limited treatment options and the threat from emerging variants underline the need for novel and widely accessible therapeutics. G-quadruplexes (G4s) are nucleic acid secondary structures known to affect many cellular processes including viral replication and transcription. We identified heretofore not reported G4s with remarkably low mutation frequency across \>5 million SARS-CoV-2 genomes. The G4 structure was targeted using FDA-approved drugs that can bind G4s - Chlorpromazine (CPZ) and Prochlorperazine (PCZ). We found significant inhibition in lung pathology and lung viral load of SARS-CoV-2 challenged hamsters when treated with CPZ or PCZ that was comparable to the widely used antiviral drug Remdesivir. In support, in vitro G4 binding, inhibition of reverse transcription from RNA isolated from COVID-infected humans, and attenuated viral replication and infectivity in Vero cell cultures were clear in case of both CPZ and PCZ. Apart from the wide accessibility of CPZ/PCZ, targeting relatively invariant nucleic acid structures poses an attractive strategy against viruses like SARS-CoV-2, which spread fast and accumulate mutations quickly.

}, keywords = {Conserved motif, FDA-approved drugs, G-quadruplex binding drugs, hamster model of COVID-19, RNA G-quadruplex}, doi = {10.3389/fmolb.2023.1133123}, author = {Roy, Shuvra Shekhar and Sharma, Shalu and Rizvi, Zaigham Abbas and Sinha, Dipanjali and Gupta, Divya and Rophina, Mercy and Sehgal, Paras and Sadhu, Srikanth and Tripathy, Manas Ranjan and Samal, Sweety and Maiti, Souvik and Scaria, Vinod and Sivasubbu, Sridhar and Awasthi, Amit and Harshan, Krishnan H. and Jain, Sanjeev and Chowdhury, Shantanu} } @article {48337, title = {Gas sensors and factors influencing sensing mechanism with a special focus on MOS sensors}, journal = {Journal of Materials Science}, volume = {58}, year = {2023}, month = {JAN}, pages = {559-582}, type = {Review}, abstract = {

Industrialization and its progress are very important for the economy and to move towards prosperity, stimulating innovation and creating jobs. Nonetheless, industrialization has negative impacts, if not done judiciously, such as pollution, increased greenhouse gas emissions, and global warming. Therefore, amenity-with-security is of fundamental significance in a new and dynamic lifestyle. A gas sensor is one of the crucial devices for monitoring and subsequently preserving the clean atmosphere among a number of other safety technologies. In-depth assessments of gas sensors and their necessity in the environment (air) pollution are provided in the current review. With a special emphasis on metal oxide semiconductor (MOS)-based gas sensors, the review includes a thorough study of gas sensors and the factors relating to sensing mechanisms. It not only describes the basic concepts and brief history of gas sensors, but also highlights the schemes responsible for improving the gas sensing properties and state-of-art literature review. These schemes include (1) surface engineering/morphological tuning and (2) bulk and surface doping. To keep scientific rigour and in-depth analyses, this review focuses on these two schemes only. In the doping area, the emphasis is given on graphene loading, decorated with nanoparticles of noble metals, spillover mechanism, and heterojunction (p-n, n-n, and p-p) formation. The conclusion summarizes the most optimized MOS gas sensors with enhanced gas sensing capabilities. The emphasis is given to formulate the article in such a way that it will be useful for the beginners who wish to explore the gas sensor research field, as well as to the established researchers to further improve the sensing capabilities of MOS gas sensors.

}, issn = {0022-2461}, doi = {10.1007/s10853-022-08072-0}, author = {Nadargi, Digambar Y. Y. and Umar, Ahmad and Nadargi, Jyoti D. D. and Lokare, Smita A. A. and Akbar, Sheikh and Mulla, Imtiaz S. S. and Suryavanshi, Sharad S. S. and Bhandari, Nagesh L. L. and Chaskar, Manohar G. G.} } @article {48298, title = {Genetic diversity of toxigenic Fusarium verticillioides associated with maize grains, India}, journal = {Genetics and Molecular Biology}, volume = {46}, year = {2023}, month = {MAY}, pages = {e20220073}, type = {Article}, abstract = {

In the present investigation, prevalence, genetic diversity, and mycotoxin producing potential of Fusarium species associated with maize grain samples were studied from different geographical regions of India. The highest prevalence of Fusarium verticillioides was recorded as 88.52\%, followed by F. coffeatum, F. foetens, and F. euwallaceae, 6.55\%, 3.27\%, and 1.63\%, respectively. We isolated 54 strains of F. verticillioides, and their genetic diversity was studied by inter simple sequence repeats (ISSR). The ISSR fingerprints (AG) 8C and (AG) 8G showed 252 and 368 microsatellite sites in the genome of F. verticillioides and resulted in 99-100\% repeatability and reproducibility. The Simpson (SID) and Shannon (H) indices (0.78 and 2.36) suggest that F. verticillioides strains exhibit moderate to high diversity. Molecular detection of fumonisin B1 (FB1) biosynthetic genes (FUM1 and FUM13) involved in FB1 production in F. verticillioides was confirmed by polymerase chain reaction (PCR). Furthermore, 91\% of the strains were positive for FB1 production, which was affirmed by liquid chromatography with tandem mass spectrometry (LC-MS-MS). In-vitro appurtenance of F. verticillioides spores exhibited a high to moderate effect on the growth and development of the maize. The current finding demonstrated that most F. verticillioides strains showed a wide range of genetic diversity with varied toxigenic and pathogenic potentials. In conclusion, for the first time, F. coffeatum, F. foetens, and F. euwallaceae species were reported from maize grain samples in India. They were positive for FB1 and negatively affecting grain quality, which is a major concern in food safety.

}, keywords = {diversity, Food safety, Fusarium verticillioides, Mycotoxin, pathogenicity}, issn = {1415-4757}, doi = {10.1590/1678-4685-GMB-2022-0073}, author = {Navale, Vishwambar D. and Sawant, Amol M. and Vamkudoth, Koteswara Rao} } @article {48824, title = {Green synthesis of GO-loaded Ag/ZnO nanocomposites for methyl orange degradation}, journal = {Journal of Materials Science-Materials in Electronics}, volume = {34}, year = {2023}, month = {JUL}, pages = {1568}, type = {Article}, abstract = {

Nature is a perfect laboratory for creating novel nanomaterials for a variety of applications. A robust green synthesis approach to GO-loaded Ag/ZnO nanocomposite materials using medicinal plant extraction and their potential application in methyl orange dye degradation are reported. The straightforward technique employs zinc and silver nitrate precursors in an aqueous solution of medicinal plant extract, causing the precipitation process. Prior to photocatalytic investigations, the physico-chemical properties of the material are analysed using TG-DTA, XRD, FE-SEM, TEM, EDAX and BET. The developed material showcase hexagonal wurtzite structure of ZnO, with face-centered-cubic phase of Ag and AgCl. All the samples exhibit aggregated, irregular rounded grains, as expected in the precipitation synthesis process. Pristine ZnO showed 15.5\% degradation efficiency towards methyl orange, which was further improved by doping Ag from 0.5 to 2 mol\%. The catalyst with 1 mol\% Ag doping resulted in the better photocatalytic activity (26.30\%), which has again improved by loading the GO (27.46\%). The outcome of this study provides the new insights to GO-loaded Ag/ZnO nanocomposites by green synthesis route, in view of photocatalytic applications.

}, issn = {0957-4522}, doi = {10.1007/s10854-023-10979-6}, author = {Nadargi, Digambar Y. and Nadargi, Jyoti D. and Tamboli, Mohaseen S. and Tamboli, Asiya M. and Mulla, Imitaz S. and Umar, Ahmad and Truong, Nguyen Tam Nguyen and Suryavanshi, Sharad S.} } @article {48815, title = {Hierarchical covalent organic framework-foam for multi-enzyme tandem catalysis}, journal = {Chemical Science}, volume = {14}, year = {2023}, month = {JUN }, pages = {6643-6653}, type = {Article}, abstract = {

Covalent organic frameworks (COFs) are ideal host matrices for biomolecule immobilization and biocatalysis due to their high porosity, various functionalities, and structural robustness. However, the porosity of COFs is limited to the micropore dimension, which restricts the immobilization of enzymes with large volumes and obstructs substrate flow during enzyme catalysis. A hierarchical 3D nanostructure possessing micro-, meso-, and macroporosity could be a beneficial host matrix for such enzyme catalysis. In this study, we employed an in situ CO2 gas effervescence technique to induce disordered macropores in the ordered 2D COF nanostructure, synthesizing hierarchical TpAzo COF-foam. The resulting TpAzo foam matrix facilitates the immobilization of multiple enzymes with higher immobilization efficiency (approximately 1.5 to 4-fold) than the COF. The immobilized cellulolytic enzymes, namely beta-glucosidase (BGL), cellobiohydrolase (CBH), and endoglucanase (EG), remain active inside the TpAzo foam. The immobilized BGL exhibited activity in organic solvents and stability at room temperature (25 degrees C). The enzyme-immobilized TpAzo foam exhibited significant activity towards the hydrolysis of p-nitrophenyl-beta-d-glucopyranoside (BGL@TpAzo-foam: K-m and V-max = 23.5 +/- 3.5 mM and 497.7 +/- 28.0 mu M min(-1)) and carboxymethylcellulose (CBH@TpAzo-foam: K-m and V-max = 18.3 +/- 4.0 mg mL(-1) and 85.2 +/- 9.6 mu M min(-1) and EG@TpAzo-foam: K-m and V-max = 13.2 +/- 2.0 mg mL(-1) and 102.2 +/- 7.1 mu M min(-1)). Subsequently, the multi-enzyme immobilized TpAzo foams were utilized to perform a one-pot tandem conversion from carboxymethylcellulose (CMC) to glucose with high recyclability (10 cycles). This work opens up the possibility of synthesizing enzymes immobilized in TpAzo foam for tandem catalysis.

}, issn = {2041-6520}, doi = {10.1039/d3sc01367g}, author = {Paul, Satyadip and Gupta, Mani and Dey, Kaushik and Mahato, Ashok Kumar and Bag, Saikat and Torris, Arun and Gowd, E. Bhoje and Sajid, Hasnain and Addicoat, Matthew A. and Datta, Supratim and Banerjee, Rahul} } @article {48670, title = {High open-circuit voltage in lead sulfide quantum dot solar cells via solution-phase ligand exchange with low electron affinity cadmium halides}, journal = {JOURNAL OF MATERIALS CHEMISTRY A}, volume = {11}, year = {2023}, month = {AUG}, pages = {17282-17291}, type = {Article}, abstract = {

The deployment of colloidal quantum dots (QDs) in building high-performance solar cells and other optoelectronic applications relies on the passivation of unsaturated surface atoms through ligand engineering to attain a trap-free energy bandgap and strong QD coupling while maintaining the quantum confinement effect. Despite major advancements in surface passivation strategies, the open circuit voltage (V-oc) of lead sulfide (PbS) QD solar cells is limited by undesirable sub-bandgap states and high-bandtail states. The most advanced solution-phase ligand exchange strategy for PbS QDs depends on lead halide ligands, which improved the photocurrent and fill factor in QD solar cells significantly, but only an incremental change in V-oc is observed. Here we showcase a solution-phase hybrid ligand passivation strategy for PbS QDs using shallow electron affinity cadmium halide and thiol ligands. The cadmium halide ligand treatment results in the sub-monolayer substitution of surface Pb atoms by Cd atoms. The photophysical properties of QDs improve significantly to show intense band edge emission, diminished trap emission and reduced Urbach tail states. The photovoltaic devices built using cadmium halide-treated QDs show low reverse saturation current, which helps to attain a record 0.7 V V-oc (for a 1.28 eV bandgap) and 12.3\% PCE.

}, issn = {2050-7488}, doi = {10.1039/d3ta02191b}, author = {Dambhare, Neha V. and Biswas, Arindam and Sharma, Anjali and Shinde, Dipak Dattatray and Mahajan, Chandan and Mitra, Anurag and Rath, Arup K.} } @article {48323, title = {Histidinal-based potent antimalarial agents}, journal = {ChemMedChem}, volume = {18}, year = {2023}, month = {MAY }, type = {Article}, abstract = {

Herein we report the synthesis and evaluation of peptide-histidinal conjugated drug scaffolds, which have the potential to target the hemoglobin-degrading proteases falcipain-2/3 from the human malaria parasite. Scaffolds with various substitutions were tested for antimalarial activity, and compounds 8 g, 8 h, and 15 exhibited EC50 values of similar to 0.018 mu M, similar to 0.069 mu M, and similar to 0.02 mu M, respectively. Structure-based docking studies on falcipain-2/3 proteases (PDB:2GHU and PDB:3BWK) revealed that compounds 8 g, 8 h, and 15 interact strongly with binding sites of falcipain-2/3 in a substrate-like manner. In silico ADME studies revealed that the molecules of interest showed no or minimal violations of drug-likeness parameters. Further, phenotypic assays revealed that compound 8 g and its biotinylated version inhibit hemoglobin degradation in the parasite food vacuole. The identification of falcipain-2/3 targeting potent inhibitors of the malaria parasite can serve as a starting point for the development of lead compounds as future antimalarial drug candidates.

}, keywords = {artemisinin, chloroquine, digestive vacuole, docking, falcipains, falciparum, P}, issn = {1860-7179}, doi = {10.1002/cmdc.202200709}, author = {Meena, Chhuttan L. and Hingamire, Tejashri and Gupta, Tanya and Deshmukh, Bhagyashree and Karmodiya, Krishanpal and Joshi, Rakesh and Shanmugam, Dhanasekaran and Sanjayan, Gangadhar J.} } @article {48448, title = {Hydroxide ion-conducting viologen-bakelite organic frameworks for flexible solid-state zinc-air battery applications}, journal = {Nanoscale Horizons}, volume = {8}, year = {2023}, month = {JAN }, pages = {224-234}, type = {Article}, abstract = {

Adaptable polymer-based solid-state electrolytes can be a game-changer toward safe, lightweight flexible batteries. We present a robust Bakelite-type organic polymer covalently decked with viologen, triazine, and phenolic moieties. Its flexible structure with cationic viologen centers incorporates counter-balancing free hydroxide ions into the polymeric framework. By design, the aromatic groups and heteroatoms in the framework can be activated under an applied potential to prompt a push-pull drive, setting off the towing of hydroxide ions via weak electrostatic, van der Waals, and hydrogen-bond interactions. The frontier orbitals from a DFT-modeled structure certify this. The hydroxyl-polymer requires minimal KOH wetting to maintain a humid environment for Grotthuss-type transport. The hydroxide ion conductivity reaches a value of 1.4 x 10(-2) S cm(-1) at 80 degrees C and 95\% RH, which is retained for over 15 h. We enhanced its practical utility by coating it as a thin solid-state separator-cum-electrolyte on readily available filter paper. The composite exhibits a conductivity of 4.5 x 10(-3) S cm(-1) at 80 degrees C and 95\% RH. A zinc-air battery (ZAB) constructed using this polymer-coated paper as electrolyte yields a maximum power density of 115 mW cm(-2) and high specific capacitance of 435 mA h g(-1). The power density recorded for our ZAB is among the best reported for polymer electrolyte-based batteries. Subsequently, the flexible battery fabricated with IISERP-POF11_OH@FilterPaper exhibits an OCV of 1.44 V, and three batteries in series power a demo traffic signal. To underscore the efficiency of hydroxide ion transport through the complex multifunctional backbone of the polymer, we calculated the diffusion coefficient for OH- (Exp: 2.9 x 10(-5) cm(2) s(-1); Comp. 5.2 x 10(-6) cm(2) s(-1)) using electrochemical methods and MD simulations. Climbing-edge NEB calculations reveal a large energy barrier of 2.11 eV for Zn2+ to penetrate the polymer and identify hydroxide ions within the polymer, suggesting no undesirable Zn2+ crossover. Our findings assert the readily accessible C-C-linked cationic polymer{\textquoteright}s capacity as a solid-state electrolyte for ZABs and any anion-conducting membrane.

}, issn = {2055-6756}, doi = {10.1039/d2nh00455k}, author = {Rase, Deepak and Illathvalappil, Rajith and Singh, Himan Dev and Shekhar, Pragalbh and Leo, Liya S. and Chakraborty, Debanjan and Haldar, Sattwick and Shelke, Ankita and Ajithkumar, Thalasseril G. and Vaidhyanathan, Ramanathan} } @article {48754, title = {Identification of G-quadruplex structures in MALAT1 lncRNA that interact with nucleolin and nucleophosmin}, journal = {Nucleic Acids Research}, volume = {51}, year = {2023}, month = {SEP}, pages = {9415-9431}, type = {Article}, abstract = {

Nuclear-retained long non-coding RNAs (lncRNAs) including MALAT1 have emerged as critical regulators of many molecular processes including transcription, alternative splicing and chromatin organization. Here, we report the presence of three conserved and thermodynamically stable RNA G-quadruplexes (rG4s) located in the 3 \& PRIME; region of MALAT1. Using rG4 domain-specific RNA pull-down followed by mass spectrometry and RNA immunoprecipitation, we demonstrated that the MALAT1 rG4 structures are specifically bound by two nucleolar proteins, Nucleolin (NCL) and Nucleophosmin (NPM). Using imaging, we found that the MALAT1 rG4s facilitate the localization of both NCL and NPM to nuclear speckles, and specific G-to-A mutations that disrupt the rG4 structures compromised the localization of both NCL and NPM in speckles. In vitro biophysical studies established that a truncated version of NCL (\& UDelta;NCL) binds tightly to all three rG4s. Overall, our study revealed new rG4s within MALAT1, established that they are specifically recognized by NCL and NPM, and showed that disrupting the rG4s abolished localization of these proteins to nuclear speckles

}, issn = {0305-1048}, doi = {10.1093/nar/gkad639}, author = {Ghosh, Arpita and Pandey, Satya Prakash and Joshi, Dheeraj Chandra and Rana, Priya and Ansari, Asgar Hussain and Sundar, Jennifer Seematti and Singh, Praveen and Khan, Yasmeen and Ekka, Mary Krishna and Chakraborty, Debojyoti and Maiti, Souvik} } @article {48761, title = {Identification of new modulator of DNA repairing pathways based on natural product ({\textpm})-peharmaline A}, journal = {Bioorganic \& Medicinal Chemistry}, volume = {91}, year = {2023}, month = {AUG}, pages = {117365}, type = {Article}, abstract = {

The complex heterogenic environment of tumour mass often leads to drug resistance and facilitate chemo insensitivity triggering more malignant phenotypes among cancer patients. Major DNA-damaging cancer drugs have been consistently proven unsuccessful in terms of elevating chemo-resistance. (\& PLUSMN;)-peharmaline A, a hybrid natural product isolated from seeds of Peganum harmala L. possesses significant cytotoxic activities. Herein, we have described the design, and synthesis of a novel library of close and simplified analogues around the anticancer natural product (\& PLUSMN;)-peharmaline A and investigated their cytotoxic activities, which led to the identification of three structurally simplified lead compounds exhibiting better potency than parent natural product. Among them, demethoxy analogue of peharmaline A was further investigated for its anticancer potential eliciting demethoxy analogue as potent DNA-damage inducing agent attenuating the expression of the proteins responsible for the DNA damage repair. Therefore, this demethoxy analogue warrants detailed investigations for the confirmations of the molecular mechanism-based studies responsible for its anticancer activity.

}, keywords = {DNA damage, EMT, Pictet, Spengler reaction, Structure-activity relationship, Total synthesis}, issn = {0968-0896}, doi = {10.1016/j.bmc.2023.117365}, author = {Kulkarni, Akshay S. and Dash, Anshurekha and Shingare, Rahul D. and Chand, Jagdish and Manhas, Diksha and Singh, Aman and Nandi, Utpal and Goswami, Anindya and Reddy, D. Srinivasa} } @article {48449, title = {Identification of potential microRNAs regulating metabolic plasticity and cellular phenotypes in glioblastoma}, journal = {Molecular Genetics and Genomics}, volume = {298}, year = {2023}, month = {JAN}, pages = {161-181}, type = {Article}, abstract = {

MicroRNAs (miRNAs) play important role in regulating cellular metabolism, and are currently being explored in cancer. As metabolic reprogramming in cancer is a major mediator of phenotypic plasticity, understanding miRNA-regulated metabolism will provide opportunities to identify miRNA targets that can regulate oncogenic phenotypes by taking control of cellular metabolism. In the present work, we studied the effect of differentially expressed miRNAs on metabolism, and associated oncogenic phenotypes in glioblastoma (GBM) using patient-derived data. Networks of differentially expressed miRNAs and metabolic genes were created and analyzed to identify important miRNAs that regulate major metabolism in GBM. Graph network-based approaches like network diffusion, backbone extraction, and different centrality measures were used to analyze these networks for identification of potential miRNA targets. Important metabolic processes and cellular phenotypes were annotated to trace the functional responses associated with these miRNA-regulated metabolic genes and associated phenotype networks. miRNA-regulated metabolic gene subnetworks of cellular phenotypes were extracted, and important miRNAs regulating these phenotypes were identified. The most important outcome of the study is the target miRNA combinations predicted for five different oncogenic phenotypes that can be tested experimentally for miRNA-based therapeutic design in GBM. Strategies implemented in the study can be used to generate testable hypotheses in other cancer types as well, and design context-specific miRNA-based therapy for individual patient. Their usability can be further extended to other gene regulatory networks in cancer and other genetic diseases.

}, keywords = {Cellular phenotypes, Functional analysis, Glioblastoma metabolism, microRNA, miRNA-based therapy, Network analysis, Transcriptome}, issn = {1617-4615}, doi = {10.1007/s00438-022-01966-3}, author = {Bhowmick, Rupa and Sarkar, Ram Rup} } @article {48742, title = {i-Indigo-based self-assembled microparticles and their conversion to nanoparticles}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {AUG }, pages = {e202300859}, type = {Article}, abstract = {

Microscopic particles (MPs) are used to scatter and reflect UV light. It is well established that inorganic MPs such as TiO2 and ZnO produce carcinogens. Therefore, organic MPs are explored for UV absorption. Conjugated chromophores with differing lipophilicity usually self-assemble into nanoscopic structures. In our previous experiments, unsymmetrical i-Indigo was found to self-assemble into 500 nm particles. We hypothesized that the size of the self-assembled particles can be increased by increasing the lipophilicity difference between the side chains. Toward this objective, we have chosen the i-Indigo core with TEG and alkyl chains as side chains. As a result, the i-Indigo molecules were found to self-assemble into 3 \& mu; spheres in solution. By substituting side chains with different lipophilicity, i-Indigo microparticles with the size of 5 \& mu; are prepared. A careful analysis showed that the spheres are similar to a soccer ball, and they deflate upon drying on the substrate surface. The judiciously chosen side chain binds with a metal-ion (Cs+) and forms nanoscopic assemblies. After Cs+ binding, the size of the particles is decreased drastically to 100 nm. The simple addition of ions converts microscopic assemblies into nanoscopic assemblies.

}, keywords = {Isoindigo, microparticles, Nanoparticles, Self-assembly, UV absorber}, issn = {2365-6549}, doi = {10.1002/slct.202300859}, author = {Singh, Anup Kumar and Swain, Gitanjali} } @article {48680, title = {In silico identification and characterization of the SNPs in the human ASTL gene and their probable role in female infertility}, journal = {Frontiers in Cell and Developmental Biology}, volume = {11}, year = {2023}, month = {JUN}, pages = {1151672}, type = {Article}, abstract = {

Ovastacin (ASTL), a zinc metalloprotease, is released from a fertilized egg during exocytosis of cortical granules which occurs minutes after the sperm and egg fuse. ASTL cleaves ZP2, one of the four primary glycoproteins of human zona pellucida, and this cleavage prevents polyspermy, causes zona pellucida hardening, and also protects the pre-implantation embryo. Any perturbation in the activity of ASTL can thus disturb this process and may lead to infertility without changing the gross morphology of the oocyte. A small amount of ASTL is also released by unfertilized oocytes but its catalytic activity is absent as it is bound by its inhibitor, Fetuin-B (FETUB). Pre-mature release of ASTL when FETUB is absent also causes infertility. To identify and understand the structural and functional effects of deleterious SNPs of ASTL on its interaction with ZP2 and FETUB and hence on fertility, a total of 4,748 SNPs from the dbSNP database were evaluated using a variety of in silico tools. All of the 40 shortlisted nsSNPs were present in the catalytic domain of the protein. Comparison of the wild type with mutants using MutPred2 suggests an alteration in the catalytic activity/zinc binding site in many SNPs. Docking studies show the involvement of hydrophobic interactions and H bonding between ASTL and ZP2 and also between ASTL and FETUB. Four positions in ASTL involved in the hydrophobic interactions (P-105 and D-200 between ASTL and ZP2; D-198 and L-278 etween ASTL and FETUB) and 5 in H bonding (E-75 and R-159 between ASTL and ZP2; and K-93, R-159, and C-281 between ASTL and FETUB) have SNP{\textquoteright}s associated with them validating their importance. Interestingly, a cluster of multiple SNPs was found in the motif (DRD200)-D-198, which is also a well-conserved region among several species. Statistical Coupling Analysis (SCA) suggested that the deleterious SNPs were present in the functionally important amino acid positions of ASTL and are evolutionarily coupled. Thus, these results attempt to identify the regions in ASTL, mutations in which can affect its binding with ZP2 or FETUB and cause female infertility.

}, keywords = {ASTL, female infertility, fertilization, omics, ovastacin, single nucleotide polymorphism}, issn = {2296-634X}, doi = {10.3389/fcell.2023.1151672}, author = {Suri, Kapali and Rajput, Neha and Sharma, Priya and Omble, Aishwarya D. and Kulkarni, Kiran and Gahlay, Gagandeep K.} } @article {48691, title = {Industry-oriented method for the aqueous phase oxidation of crude 5-hydroxymethyl furfural (HMF) to 2,5-furandicarboxylic acid (FDCA)}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {AUG }, pages = {15325-15335}, type = {Article}, abstract = {

Valorization of cellulose, hemicellulose, and lignin into value-added industrially relevant chemicals is important to achieve sustainability goals that various governments and industries have set. In view of this, the oxidative synthesis of 2,5-furandicarboxylic acid (FDCA) from 5-hydroxymethyl furfural (HMF) as an analogous compound to terephthalic acid in the synthesis of PEF is interesting to researchers. Though advancements in the oxidation of HMF have been made, the efficient synthesis of HMF, its storage, and isolation are great challenges due to its instability under normal conditions. While purified HMF can be used to synthesize FDCA, it is imperative to use crude HMF for the synthesis of FDCA since several techno-economical studies reveal that the purification of HMF is the most cost-intensive step. Herein, we demonstrate the oxidation of crude HMF, synthesized in the laboratory to FDCA, using nonprecious-based mixed metal oxides in the aqueous medium in the presence of oxygen/air. Among various catalysts, Cu-Mn catalyst at 120 \& DEG;C within 8 h in the presence of oxygen (10 bar) could yield 90\% FDCA. This activity was comparable with that of the commercially available and well-studied Ru/C (5 wt\%) catalyst (93\% yield). In addition, the role of HMF purity, air as an oxidant, and the influence of temperature, pressure, and time is systematically studied. It is also demonstrated that FDCA formation proceeds via HMFCA and FFCA formation. The isolation of FDCA and its purity (\>99\%) is corroborated with various techniques such as NMR, IR, and HRMS.

}, issn = {1144-0546}, doi = {10.1039/d3nj01834b}, author = {Lokhande, Priya and Sonone, Kalyani and Dhepe, Paresh L.} } @article {48808, title = {Inhibition of amyloid β1-42 peptide aggregation by newly designed cyclometallated palladium complexes}, journal = {International Journal of Biological Macromolecules}, volume = {248}, year = {2023}, month = {SEP }, pages = {125847}, type = {Article}, abstract = {

Uncontrolled amyloid aggregation is a frequent cause of neurodegenerative disorders such as prions and Alzheimer{\textquoteright}s disease (AD). As a result, many drug development approaches focus on evaluating novel molecules that can alter self-recognition pathways. Herein, we designed and synthesized the cyclometallated pyrene (Pd-1 and Pd-3) and anthracene (Pd-2) based palladium complexes ([Pd((L-1)Cl] Pd-1, [Pd(L-2)Cl](Pd-2), and [Pd(L-3)Cl] (Pd-3)). This study explores the effect of these complexes on the aggregation, fibrillation, and amyloid formation of bovine serum albumin (BSA) and A beta(1-42) peptide. Several spectroscopic methods were used to characterize all the Pd-complexes, and the molecular structure of Pd -3 was determined by X-ray crystallography. The secondary structures were studied using circular dichroism (CD) and transmission electron microscopy (TEM), while am-yloid aggregation and inhibitory activities were investigated using the Thioflavin-T (ThT) fluorescence assay. Molecular docking of the Pd-complex (Pd-3) was done using fibril (PDB: 2BEG) and monomeric (PDB: 1IYT) peptides using Auto-dock Vina. As a result, the hydrogen bonding and hydrophobic interaction between the aromatic rings of the Pd-complexes and the amino acids of amyloid-beta peptides significantly reduced the pro-duction of ordered beta-sheets of amyloid fibrils and protein aggregation in the presence of Pd-2 and Pd-3 complexes.

}, keywords = {A beta(1-42) peptide, Aggregation and molecular docking, Palladium complex}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2023.125847}, author = {Saini, Rahul and Navale, Govinda R. and Singh, Sain and Singh, Haobam Kisan and Chauhan, Rahul and Agrawal, Sonia and Sarkar, Dhiman and Sarma, Manabendra and Ghosh, Kaushik} } @article {48315, title = {Interactive study of Au-20 nanocluster and methyl substituted amide linked tyrosine/tryptophan to develop representative model for studying protein-nanoparticle interaction}, journal = {Journal of Molecular Structure}, volume = {1272}, year = {2023}, month = {JAN}, pages = {134177}, type = {Article}, abstract = {

Investigations on UV-vis, steady-state fluorescence and synchronous fluorescence properties of human hemoglobin (HHb) reveals greater spectral shifts in peaks arising due to alterations in microenvironment of Tyr-compared to Trp-during interactions with gold nanoparticle (GNP). Besides, interactions of Au-20 nanocluster with modified Tyr/Trp (possessing methyl substituted amide bonds) by quantum chemical calculations demonstrate significant role of amide bonds and the spectral shift, binding energy and alteration in bond distances appear to be higher for modified Tyr-compared to modified Trp. Moreover, close resemblance of frequency shift of modified Tyr/Trp-in presence of Au 20 is observed with respect to the experimental FT-IR study of HHb upon interaction with GNP, suggesting participation of amide bonds in both cases. Furthermore, CD DFT calculations using optimized helical stretch of HHbin presence of Au-20 and experimental CD results of HHb in presence of GNP further indicate participation amide bonds and biocompatibility of GNP. Apparently, the theoretical and experimental interactions are going in good agreement with each other. Overall, the study of interactions of modified Tyr/Trp-as representative models of protein microenvironment and Au-20 nanocluster as prototype of GNP to develop models for exploring protein nanoparticle interactions has been highlighted. (C) 2022 Elsevier B.V. All rights reserved.

}, keywords = {amide bonds, Au-20 nanocluster, Gold nanoparticle, Human hemoglobin, Modified Tyr/Trp}, issn = {0022-2860}, doi = {10.1016/j.molstruc.2022.134177}, author = {Sen Banerjee, Nineesha and Ghosh, Deborin and Mitra, Ishani and Paul, Somnath and Show, Bibhutibhushan and Ganguly, Tapan and Chakraborty, Madhurima} } @article {48450, title = {Intrinsic charge polarization in Bi19S27Cl3 nanorods promotes selective C-C coupling reaction during photoreduction of CO2 to ethanol}, journal = {Advanced Materials}, volume = {35}, year = {2023}, month = {FEB}, type = {Article}, abstract = {

Obtaining multi-carbon products via CO2 photoreduction is a major catalytic challenge involving multielectron-mediated C-C bond formation. Complex design of multicomponent interfaces that are exploited to achieve this chemical transformation, often leads to untraceable deleterious changes in the interfacial chemical environment affecting CO2 conversion efficiency and product selectivity. Alternatively, robust metal centers having asymmetric charge distribution can effectuate C-C coupling reaction through the stabilization of intermediates, for desired product selectivity. However, generating inherent charge distribution in a single component catalyst is a difficult material design challenge. Here, a novel photocatalyst, Bi19S27Cl3, is presented which selectively converts CO2 to a C-2 product, ethanol, in high yield under visible light irradiation. Structural analysis through transmission electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy reveals the presence of charge polarized bismuth centers in Bi19S27Cl3. The intrinsic electric field induced by charge polarized bismuth centers renders better separation efficiency of photogenerated electron-hole pair. Furthermore, charge polarized centers yield better adsorption of CO* intermediate and accelerate the rate determining C-C coupling step through the formation of OCCOH intermediate. Formation of these intermediates is experimentally mapped by in situ Fourier-transform infrared spectroscopy and further confirmed by theoretical calculation.

}, keywords = {C-C coupling, charge polarization, CO2 reduction, Ethanol, Photocatalysis}, issn = {0935-9648}, doi = {10.1002/adma.202205994}, author = {Das, Kousik and Das, Risov and Riyaz, Mohd and Parui, Arko and Bagchi, Debabrata and Singh, Ashutosh Kumar and Singh, Abhishek Kumar and Vinod, Chathakudath P. and Peter, Sebastian C.} } @article {48339, title = {Investigation and analysis of structural and electrochemical properties of highly ionic conductive La2-xSrxSn2O7-delta electrolyte for SOFC applications}, journal = {Chemical Papers}, volume = {77}, year = {2023}, month = {MAY}, pages = {2697-2705}, type = {Article}, abstract = {

This study primarily focused on the investigation, synthesis and analysis of lanthanum and tin pyrochlores electrolytes for solid oxide fuel cell (SOFC) applications. Ceramic samples with diverse compositions of La2-xSrxSn2O7-delta (x = 0.05, 0.1, 0.15, 0.2, 0.25, and 0.3) were synthesized by using solid-state reaction (SSR) methods. The prepared La2-xSrxSn2O7-delta samples were characterized by using X-ray diffraction, scanning electron microscopy and electrochemical impedance spectroscopy measurements. The results were further interpreted regarding the formation of high oxygen vacancy and structural disorder in the La2-xSrxSn2O7-delta matrix. The doping of lanthanum (La3+) by strontium (Sr2+) had a beneficial and remarkable effect on the structural and electrical properties: the increase in dopant (Sr) concentration decreased the lattice parameters of the crystalline phase and enhanced the creation of oxygen vacancies, which consequently increased the ionic conductivity and decreased the activation energy. Thus, it could be understood that the studied new La2-xSrxSn2O7-delta electrolyte would be one of the potential candidates for intermediate temperature SOFC applications.

}, keywords = {Electrolyte, Impedance spectroscopy, Ionic conductivity, Pyrochlore, SOFC}, issn = {0366-6352}, doi = {10.1007/s11696-022-02659-2}, author = {Melit, Fatima and Bounar, Nedjemeddine and Shaikh, Shabana P. S. and Deshpande, Manish and Steil, Marlu Cesar} } @article {48259, title = {Investigation of the effect of zeolite supports and the role of W-species for one-pot catalytic conversion of cellulose to ethylene glycol: theoretical \& experimental studies.}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {FEB }, type = {Article}, abstract = {

Endeavors were made to study the influence of various zeolite (HY, NaY, NaZSM-5 and HZSM-5) supports with (Al)-Ni-W metal combination catalysts for the ethylene glycol (EG) production, selectively from cellulose. From the experimental results ZSM-5 (NaZSM-5/73.3\% \& HZSM-5/67.7\%) support is superior over HY \& NaY support in selective EG production from cellulose. It was understood that W- species with oxygen vacancies (WO3-x, XPS analysis) plays an important role in producing the glycolaldehyde (GA) intermediate (via C-C cleavages), which on hydrogenation over Ni- sites selectively produce EG. Further, the studies based on the Density Functional Theory (DFT) were conducted to substantiate the involvement of the WO3-x species in the reaction. The adsorption energies and structural changes establish that the C-2-C-3 bond of the glucose elongates and thereby activates on adsorbing to WO3-x sites supporting the formation of GA. Activation of GA on Ni- sites is distinguished by an increase of 0.1 angstrom in C=O bond length, which facilitates the hydrogenation of C=O resulting in EG. The reaction pathway is explained through an analysis of CDD and DOS.

}, keywords = {Cellulose hydrogenolysis, DFT studies, ethylene glycol, zeolites}, issn = {1861-4728}, doi = {10.1002/asia.202201202}, author = {Sreekantan, Sreejith and Singh, Chandrodai Pratap and Krishnamurty, Sailaja and Marimuthu, Banu} } @article {48464, title = {Isolation and biochemical characterization of acid phytase from aspergillus niger and its applications in dephytinization of phytic acid in poultry feed ingredients}, journal = {Microbiology}, volume = {92}, year = {2023}, month = {APR}, pages = {221-229}, type = {Article}, abstract = {

Acidic phytase (PHY-B) was isolated from Aspergillus niger BIONCL8 strain, and assessed its application for the dephytinization of poultry feed ingredients. Aspergillus niger BIONCL8 strain was identified by precise molecular methods by targeting internal transcribed spacer (ITS) region of the fungi and molecular detection of PHY gene in the strain was confirmed by sequence analysis with respect to PHY production. The enzyme was isolated and purified by DEAE Sephadex A-50 and Bio-Gel P-60 Gel ion-exchange chromatography. The estimated molecular weight of the protein was 65 kDa on SDS-PAGE, it had a specific activity of 21.18 U/mg. The molecular weight of the protein was confirmed by matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS). The peptide sequence of PHY-B was identified using high resolution-mass spectrometry (LC-HR-MS), and its physicochemical parameters were studied. The PHY was stable at acidic pH 2.1, most active at 40 degrees C and was stable up to 80 degrees C, retaining 30\% residual activity after 1 h of incubation. The PHY activity was enhanced in the presence of Mg2+ and EDTA, and activity was inhibited in the presence of Hg2+ and K+. The K-m and V-max of PHY were recorded as 3.35 mM and 1.27 U/mg, respectively. The PHY was shown to play a significant role in decreasing PA content in various poultry feed ingredients, ranging from 48.14 to 82.14\%. The novel features of the enzyme can be used to decrease the PA content in feed ingredients and increase the bioavailability of nutrients to non-ruminant animals.

}, keywords = {Aspergillus niger, dephytinization, high resolution-mass spectrometry, ion-exchange chromatography, matrix-assisted laser desorption ionization time-of-flight mass spectrometry, Phytase}, issn = {0026-2617}, doi = {10.1134/S0026261722601452}, author = {Bhandari, Y. and Sonwane, B. and Vamkudoth, K. R.} } @article {48717, title = {Isolation and molecular characterization of indigenous penicillium chrysogenum/rubens strain portfolio for penicillin V production}, journal = {Microorganisms}, volume = {11}, year = {2023}, month = {APR}, pages = {1132}, type = {Article}, abstract = {

Beta (beta)-lactam antibiotic is an industrially important molecule produced by Penicillium chrysogenum/rubens. Penicillin is a building block for 6-aminopenicillanic acid (6-APA), an important active pharmaceutical intermediate (API) used for semi-synthetic antibiotics biosynthesis. In this investigation, we isolated and identified Penicillium chrysogenum, P. rubens, P. brocae, P. citrinum, Aspergillus fumigatus, A. sydowii, Talaromyces tratensis, Scopulariopsis brevicaulis, P. oxalicum, and P. dipodomyicola using the internal transcribed spacer (ITS) region and the beta-tubulin (BenA) gene for precise species identification from Indian origin. Furthermore, the BenA gene distinguished between complex species of P. chrysogenum and P. rubens to a certain extent which partially failed by the ITS region. In addition, these species were distinguished by metabolic markers profiled by liquid chromatography-high resolution mass spectrometry (LC-HRMS). Secalonic acid, Meleagrin, and Roquefortine C were absent in P. rubens. The crude extract evaluated for PenV production by antibacterial activities by well diffusion method against Staphylococcus aureus NCIM-2079. A high-performance liquid chromatography (HPLC) method was developed for simultaneous detection of 6-APA, phenoxymethyl penicillin (PenV), and phenoxyacetic acid (POA). The pivotal objective was the development of an indigenous strain portfolio for PenV production. Here, a library of 80 strains of P. chrysogenum/rubens was screened for PenV production. Results showed 28 strains capable of producing PenV in a range from 10 to 120 mg/L when 80 strains were screened for its production. In addition, fermentation parameters, precursor concentration, incubation period, inoculum size, pH, and temperature were monitored for the improved PenV production using promising P. rubens strain BIONCL P45. In conclusion, P. chrysogenum/rubens strains can be explored for the industrial-scale PenV production.

}, keywords = {beta-tubulin gene, high-performance liquid chromatography, internal transcribed spacer region, Penicillium chrysogenum/rubens, phenoxymethyl penicillin}, doi = {10.3390/microorganisms11051132}, author = {Sawant, Amol M. and Navale, Vishwambar D. and Vamkudoth, Koteswara Rao} } @article {48341, title = {Lead-free solid state mechanochemical synthesis of Cs2NaBi1-XFeXCl6 double perovskite: reduces band gap and enhances optical properties}, journal = {Inorganic Chemistry}, volume = {62}, year = {2023}, month = {MAR}, pages = {4861-4871}, type = {Article}, abstract = {

Efficient and stable lead-free halide double perovskites (DPs) have attracted great attention for the future generation of electronic devices. Herein, we have developed a doping approach to incorporate Fe3+ ions into the Cs2NaBiCl6 crystal unit and reveal a crystallographic and optoelectronic study of the Cs2NaBi1-xFexCl6 double perovskite. We report a simple solid-state mechanochemical method that has a solvent-free, one-step, green chemistry approach for the synthesis of Cs2NaBi1-xFexCl6 phosphor. The analysis of powder X-ray diffraction (XRD) data determines the contraction of the lattice due to the incorporation of Fe3+ cations, and this effect is well supported by X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FE-SEM), Raman spectroscopy, and solid-state nuclear magnetic resonance spectroscopy (ss-NMR). The band gap is reduced with increasing Fe content owing to the strong overlap of the Fe-3d orbitals with Cl-3p orbitals and shift of the valence band maxima (VBM) toward higher energies, as confirmed by ultraviolet photoelectron spectroscopy (UPS) and density functional theory (DFT) analyses. Photoluminescence (PL) studies of Cs2NaBi1-xFexCl6 phosphors exhibit a large Stokes shift, broadband emission, and increased PL intensity more than ten times for 15\% of Fe content phosphor with enhancement in the average decay lifetimes (up to 38 ns) compared to pristine Cs2NaBiCl6 DP. These results indicate that the transition of dark self-trapping of excitons (STEs) into bright STEs enhances yellow emission. XRD, UV, and thermo-gravimetric analysis (TGA) confirmed that the Cs2NaB1-xFexCl6 DPs have good structural and thermal stabilities. Our findings indicate that the doping of Fe3+ cations into the Cs2NaBiCl6 lattice is a constructive strategy to enhance significantly the optoelectronic properties of these phosphors.

}, issn = {0020-1669}, doi = {10.1021/acs.inorgchem.2c04149}, author = {Udavant, Rohini and Thawarkar, Sachin and Rondiya, Sachin and Shelke, Ankita and Aher, Rahul and Ajithkumar, Thalasseril G. and Cross, Russell W. and Dzade, Nelson Y. and Jadkar, Sandesh} } @article {48284, title = {Low-temperature preferential CO oxidation in a hydrogen-rich stream over Pt-NaY and modified Pt-NaY catalysts for fuel cell application}, journal = {Fuel Cells}, volume = {23}, year = {2023}, month = {FEB}, pages = {15-28}, type = {Article}, abstract = {

Preferential oxidation of CO (CO-PROX) in the hydrogen-rich stream has been carried out over Pt-NaY catalysts containing various Pt loadings along with Fe, Co, and Au. Catalysts have been characterized with inductively coupled plasma-atomic emission spectroscopy, Brunauer, Emmett, and Teller surface area, X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, temperature programmed reduction, and Pt dispersion. CO-PROX activities and CO oxidation selectivities are observed to increase with an increase in Pt content. Pt-NaY catalyst with 0.75 wt.\% Pt loading shows maximum CO-PROX activity at low temperatures. An increase in space velocity decreases the CO and O-2 conversions, but CO oxidation selectivity increases. A decrease in activity is observed when reformat gas contains around 20\% H2O. During the stability test, no change in CO and O-2 conversions is observed, but a small increase in the CO oxidation selectivity is noticed after 10 h indicating that the Pt-NaY catalyst is a promising candidate for CO-PROX reaction in a hydrogen-rich stream. The Pt-Fe-NaY catalyst shows better activity than the Pt-NaY catalyst but starts deactivating after 10 h. However, activity is observed to decrease over Pt-Co-NaY and Pt-Au-NaY catalysts. Pt-Fe-NaY catalyst with 0.75 and 0.35 wt.\% Pt and Fe, respectively, shows better CO-PROX activity at a temperature of 75 degrees C.

}, keywords = {catalysis, CO oxidation, experimental results, flow bed, Fuel Cell Applications, Hydrogen, X-ray photoelectron spectroscopy}, issn = {1615-6846}, doi = {10.1002/fuce.202200134}, author = {Malwadkar, Sachin and Bera, Parthasarathi and Satyanarayana, Chilukuri V. V.} } @article {48790, title = {Luminescent 3D printed poly(lactic acid) nanocomposites with enhanced mechanical properties}, journal = {Polymer Engineering and Science}, volume = {63}, year = {2023}, month = {JUL}, pages = {2059-2072}, type = {Article}, abstract = {

The three-dimensional (3D) printing of functional composite materials has gained tremendous interest in recent years. Nevertheless, research on 3D printing of luminescent composite materials is very limited, and the mechanical properties of such 3D-printed composites are poor. Herein, we report the preparation and characterization of a poly(lactic acid) (PLA) composite that, when 3D printed, exhibits enhanced toughness and high solid-state fluorescence quantum yield. Incorporation of only 1 wt\% pyrene butyric acid modified cellulose nanofibers (PBA-m-CNF) and l0 wt\% thermoplastic polyurethane (TPU) into PLA led to 223\% increase in toughness and 21\% increase in tensile modulus of PLA. Scanning electron microscopy (SEM) and X-ray microcomputed tomography (mu-CT) analysis of the fractured cross-sections of 3D printed composites revealed a ductile failure mode. The PLA/PBA-m-CNF1/TPU10 3D printed composite also exhibited a high solid-state fluorescence quantum yield of 38.35\%. To the best of our knowledge, this is the first report to show both enhanced mechanical properties and high solid-state fluorescence emission for 3D printable PLA. Such functional PLA composites could have potential applications in the fabrication of complex-shaped sensors, optical light pipes, etc.

}, keywords = {3D printing, Composite, fluorescence, Nanocellulose, poly(lactic acid), toughness}, issn = {0032-3888}, doi = {10.1002/pen.26345}, author = {Kothavade, Premkumar Anil and Yadav, Prashant and Nidhankar, Aakash D. and Torris, Arun and Pol, Harshawardhan and Kafi, Abdullah and Bateman, Stuart and Sukumaran, Santosh Babu and Shanmuganathan, Kadhiravan} } @article {48735, title = {Made to measure squaramide COF cathode for zinc dual-ion battery with enriched storage via redox electrolyte}, journal = {Advanced Energy Materials}, volume = {13}, year = {2023}, month = {SEP}, type = {Article}, abstract = {

Aqueous rechargeable batteries are promising grid-scale energy storage devices because of their affordability, operational safety, and environmental benignity. Among these, Zn-ion batteries (ZIBs) have unfolded new horizons. Designing superior cathodes for ZIBs is crucial. Covalent organic frameworks (COFs) can be made redox active with a high storage surface. Here, for the first time, a chelating COF with redox-active ZnI2 in a ZnSO4(aq) electrolyte is combined. Including iodide harvests an approximately threefold enhancement in capacity from 208 to 690 mAh g(-1) at 1.5 A g(-1), the highest among all the COF-derived ZIBs. Remarkably, a charge-discharge curve at 1.3 V exhibits very limited dropout voltage and super-flat platform, with a remarkable capacity of 600 mAh g(-1) at 5 A g(-1) stable up to 6000 cycles, confirming that the polyiodide generation and storage are sustainable. The COF{\textquoteright}s dual-ion storage (Zn2+ and polyidode) delivers a ZIB with the highest energy density. Spectro-electrochemical measurements coupled with X-ray photoelectron spectroscopy unambiguously unveil the existence of multiple polyiodide species, with I-3(-) and IO3- ions as the prominent species. The latter gets reduced at the COF electrode under an applied potential, leaving I-3(-) as the major species stored on the COF. The prospect of COF-polyiodide((aq)) is a windfall for metal-ion batteries.

}, keywords = {covalent organic frameworks, flexible batteries, polyiodide, redox electrolytes, Zn ion batteries}, issn = {1614-6832}, doi = {10.1002/aenm.202301049}, author = {Kushwaha, Rinku and Jain, Chitvan and Shekhar, Pragalbh and Rase, Deepak and Illathvalappil, Rajith and Mekan, Deep and Camellus, Augastus and Vinod, Chathakudath Prabhakaran and Vaidhyanathan, Ramanathan} } @article {48697, title = {Mechano-immunology in microgravity}, journal = {Life Sciences in Space Research}, volume = {37}, year = {2023}, month = {MAY}, pages = {50-64}, type = {Review}, abstract = {

Life on Earth has evolved to thrive in the Earth{\textquoteright}s natural gravitational field; however, as space technology advances, we must revisit and investigate the effects of unnatural conditions on human health, such as gravitational change. Studies have shown that microgravity has a negative impact on various systemic parts of humans, with the effects being more severe in the human immune system. Increasing costs, limited experimental time, and sample handling issues hampered our understanding of this field. To address the existing knowledge gap and provide confidence in modelling the phenomena, in this review, we highlight experimental works in mechanoimmunology under microgravity and different computational modelling approaches that can be used to address the existing problems.

}, keywords = {Computational modelling, Immune system, Mechano-immunology, Mechanotransduction, Microgravity}, issn = {2214-5524}, doi = {10.1016/j.lssr.2023.03.001}, author = {Murali, Anirudh and Sarkar, Ram Rup} } @article {48698, title = {Metal- and photocatalyst-free, visible-light-initiated C3 a-aminomethylation of quinoxalin-2(1H)-ones via electron donor-acceptor complexes}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {AUG }, pages = {13339-13350}, type = {Article}, abstract = {

We report a metal- and photocatalyst-free C3 a-aminomethylation of quinoxalin-2(1H)-ones with N-alkyl-N-methylanilines. The reaction proceeds through the formation of a photoactivated electron donor-acceptor complex between quinoxalin-2(1H)-ones and N-alkyl-N-methylanilines. The present method provides a mild and environmentally friendly protocol that exhibits good atom economy and excellent functional group tolerance to obtain a library of biologically significant C3 a-aminomethylated quinoxalin-2(1H)-ones in good yields.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c01249}, author = {More, Devidas A. and Shirsath, Sachin R. and Muthukrishnan, M.} } @article {48820, title = {Metal deficiency tailored by the 18-electron rule stabilizes metal-based inorganic compounds}, journal = {Chemistry of Materials}, volume = {35}, year = {2023}, month = {JUL}, pages = {6050-6058}, type = {Article}, abstract = {

The 18-electron (18-e(-)) rule is typicallyrestrictedto predicting the stability of transition-metal-based complexes. Herein,we report the use of the 18-e(-) to predict the stabilityin a family of intermetallics MNiSn (M = V, Cr, Fe, and Co) crystallizingin the Co1.75Ge structure type. Site deficiencies at theM site obtained from single-crystal X-ray diffraction are understoodas attaining a stable noble gas electronic configuration. The densityfunctional theory -based structure calculation confirms that the deficientstructure is more stable than the ideal occupation available at thecrystal lattice. MnNiSn, which crystallizes in the half-Heusler crystalstructure, depicts the role of covalent radii of the constituent elementsin determining the crystal structure. Using X-ray absorption spectroscopyand X-ray photoelectron spectroscopy, the local structure of the above-mentionedcompounds was also elucidated, supporting the role of deficiency tunedvalence fluctuation to attain a 18-e(-) configurationthat eventually leads to the formation of stable compounds.

}, issn = {0897-4756}, doi = {10.1021/acs.chemmater.3c01142}, author = {Singh, Ashutosh Kumar and Mumbaraddi, Dundappa and Mishra, Vidyanshu and Roy, Soumyabrata and Vinod, C. P. and Peter, Sebastian C.} } @article {48770, title = {Metal-free isoamyl nitrite mediated efficient synthesis of 1,2,4-oxadiazoles}, journal = {Tetrahedron Letters}, volume = {125}, year = {2023}, month = {JUL}, pages = {154616}, type = {Article}, abstract = {

We report herein, a metal-free isoamyl nitrite mediated efficient synthesis of 1,2,4-oxadiazoles by one pot cycloaddition reaction of aldoximes with nitriles. The structure of the 1,2,4-oxadiazole derivatives was confirmed by studies of spectral analysis. Current methodology provides a novel pathway to access 1,2,4-oxadiazole derivatives.\& COPY; 2023 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2, 4-Oxadiazole, Aldoxime, Cycloaddition, Isoamyl nitrite}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2023.154616}, author = {Galave, Sharad A. and Kadam, Kishorkumar S. and Sonawane, Amol D. and Pansare, Vaibhav R. and Garud, Dinesh R.} } @article {48493, title = {Microporous 3D-structured hierarchically entangled graphene-supported Pt3Co alloy catalyst for PEMFC application with process-friendly features}, journal = {ACS Applied Materials \& Interfaces}, volume = {15}, year = {2023}, month = {JUN }, pages = {28023-28035}, type = {Article}, abstract = {

To improve the oxygen reduction reaction(ORR) performance in aproton-exchange membrane fuel cell (PEMFC) cathode with respect tomass activity and durability, a suitable electrocatalyst design strategyis essentially needed. Here, we have prepared a sub-three nm-sizedplatinum (Pt)-cobalt (Co) alloy (Pt3Co)-supportedN-doped microporous 3D graphene (Pt3Co/pNEGF) by usingthe polyol synthesis method. A microwave-assisted synthesis methodwas employed to prepare the catalyst based on the 3D porous carbonsupport with a large pore volume and dense micro-/mesoporous surfaces.The ORR performance of Pt3Co/pNEGF closely matches withthe state-of-the-art commercial Pt/C catalyst in0.1 M HClO4, with a small overpotential of 10 mV. The 3Dmicroporous structure of the N-doped graphene significantly improvesthe mass transport of the reactant and thus the overall ORR performance.As a result of the lower loading of Pt in Pt3Co/pNEGF ascompared to that in Pt/C, the alloy catalyst achieved 1.5 times highermass activity than Pt/C. After 10,000 cycles, the difference in theelectrochemically active surface area (ECSA) and half-wave potential(E (1/2)) of Pt3Co/pNEGF is foundto be 5 m(2) g(Pt) (-1) (Delta ECSA)and 24 mV (Delta E (1/2)), whereas, forPt/C, these values are 9 m(2) g(Pt) (-1) and 32 mV, respectively. Finally, in a realistic perspective, single-celltesting of a membrane electrode assembly (MEA) was made by sandwichingthe Pt3Co/pNEGF-coated gas diffusion layers as the cathodedisplayed a maximum power density of 800 mW cm(-2) under H-2-O-2 feed conditions with aclear indication of helping the system in the mass-transfer region(i.e., the high current dragging condition). The nature of the I-V polarization shows a progressivelylower slope in this region of the polarization plot compared to asimilar system made from its Pt/C counterpart and a significantlyimproved performance throughout the polarization region in the caseof the system made from the Pt3Co/NEGF catalyst (withoutthe microwave treatment) counterpart. These results validate the betterprocess friendliness of Pt3Co/pNEGF as a PEMFC electrode-specificcatalyst owing to its unique texture with 3D architecture and well-definedporosity with better structural endurance.

}, keywords = {microwave synthesis, N-doped porous 3D graphene, ORR, PEMFC, polyol synthesis, Pt3Co alloy}, issn = {1944-8244}, doi = {10.1021/acsami.3c03372}, author = {Manna, Narugopal and Singh, Mayank and Kurungot, Sreekumar} } @article {48765, title = {MnXWO4 nanostructure-based catalysts for single-step oxidation of cyclohexane and methane to oxygenates}, journal = {ACS Applied Nano Materials}, volume = {6}, year = {2023}, month = {APR}, pages = {7245-7258}, type = {Article}, abstract = {

Activation of the C-H bond in cyclohexane (CYH) and methane is a crucial step to obtain desirable oxygenated products using nanostructured catalyst and is a great challenge and an efficient route to mitigate the inauspicious effects of climate change. The active sites were identified using XRD, HR-TEM, SEM, N2 sorption analysis, TPR, Raman, XPS, TGA, in situ DRIFT, XAS, etc. In optimal reaction conditions, 46\% of CYH was converted into adipic acid (AA) on MnxWO4 nanostructures within 6 h. The recyclability test confirmed the catalyst heterogeneity, which revealed no appreciable loss of catalytic activity even after three consecutive reactions. In situ DRIFT study reveals that CYH is oxidized to cyclohexanone and cyclohexanol (KA oil) and is further oxidized to AA via carboxylate intermediates. DFT studies disclosed that MnOx species are responsible for the C-H activation of CYH, and the Mn2+/Mn3+ redox centers play a vital role in the absorption of KA oil to form AA. Herein, we demonstrated the significant role of the {\textquoteleft}{\textquoteleft}MnOx{\textquoteright}{\textquoteright} species and that adequate Lewis and Bronsted acidic sites, redox centers of (Mn2+/Mn3+), and lattice oxygen are accountable for the CYH conversion toward the AA. Additionally, we have reported the oxidation of methane to methanol (146 mu mole per gram of catalyst) in the presence of water at 75 degrees C without over-oxidation products.

}, keywords = {Adipic Acid, C-H bond activation, Cyclohexane oxidation, methane activation, MnOx chain, Redox center}, doi = {10.1021/acsanm.3c00319}, author = {Prabu, Marimuthu and Manikandan, Marimuthu and Samal, Pragnya Paramita and Gurrala, Lakshmi Prasad and Mekala, Siva Prasad and Archana, Ramakrishnan and Nayak, Chandrani and Bhattacharyya, D. and Jha, S. N. and Krishnamurty, Sailaja and Raja, Thirumalaiswamy} } @article {48719, title = {Molecular mechanisms underlying nanowire formation in pristine phthalocyanine}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {NOV}, pages = {30259-30268}, type = {Article}, abstract = {

Understanding the molecular processes of nanowire self-assembly is crucial for designing and controlling nanoscale structures that could lead to breakthroughs in functional materials. In this work, we focus on pristine phthalocyanines as a representative example of mesogenic supramolecular assemblies and have analyzed the formation of nanowires using classical molecular dynamics simulations. In the simulations, the molecules spontaneously form multi-columnar structures resembling supramolecular polymers that subsequently grow into more ordered aggregates. These self-assemblies are concentration dependent, leading to the formation of multi-columnar, dynamic aggregates at higher concentrations and nanowires at lower concentrations. The multi-columnar assemblies on a whole are more disordered than the nanowires, but have locally ordered domains of parallel facing molecules that can fluctuate while maintaining their overall shape. The nanowire formation at lower concentrations involves the initial interaction and clustering of randomly oriented phthalocyanine molecules, followed by the merging of small clusters into elongated segments and the eventual formation of a stable nanowire. We observe three main conformers in these self-assemblies, the parallel, T-shaped and edge-to-edge stacking of the phthalocyanine dimers. We calculate the underlying free energy landscape and show that the parallel conformers form the most stable configuration which is followed by the T-shaped and edge-to-edge dimer configurations. The findings provide insights into the mechanisms and pathways of nanowire formation and a step towards the understanding of self-assembly processes in supramolecular mesogens. Understanding the molecular processes of nanowire self-assembly of phthalocyanine molecules.

}, issn = {1463-9076}, doi = {10.1039/d3cp03512c}, author = {Pinjari, Aadil and Saraf, Deepashri and Sengupta, Durba} } @article {48701, title = {Multi-bandgap quantum dots ensemble for near-infrared photovoltaics}, journal = {Energy Technology}, volume = {11}, year = {2023}, month = {JUN}, type = {Article}, abstract = {

Narrow bandgap quantum dots (QDs) are an important class of materials for near-infrared (NIR) optoelectronic devices owing to their size-tunable bandgap and chemical root processing. In photovoltaic applications, NIR QDs could be particularly useful to complement the sub-bandgap transmission loss of NIR solar radiation from perovskite and c-Si solar cells. However, insufficient carrier extraction thickness associated with the narrow NIR excitonic bandwidth of QDs limits the conversion efficacy of the broad NIR solar spectrum. Here, we utilize a multi-bandgap QD ensemble which widens the NIR absorption bandwidth to mimic the broad solar spectrum. A solution-phase ligand passivation strategy is used to control doping properties and energy level alignment of multi-bandgap QDs. We successfully developed bulk-heterojunction solar cells using the multi-bandgap QD ensemble, which yields higher carrier extraction thickness and broader NIR absorption. The gain from NIR absorption and carrier transport resulted in higher short-circuit current generation and power conversion efficiency (PCE) in solar cell devices. The champion device shows 8.73\% PCE under 1.5 AM solar illumination and 7.44\% and 5.05\% PCE for the NIR photons transmitted from perovskite and c-Si layers.

}, keywords = {bulk-heterojunctions, multi-bandgap, near-infrared, quantum dots, solar cells, surface passivation}, issn = {2194-4288}, doi = {10.1002/ente.202201375}, author = {Mahajan, Chandan and Dambhare, Neha V. and Biswas, Arindam and Sharma, Anjali and Shinde, Dipak Dattatray and Rath, Arup K.} } @article {48732, title = {Multipurpose cellulases of Promicromonospora sp. VP111, with broad substrate specificity and tolerance properties}, journal = {Journal of Basic Microbiology}, volume = {63}, year = {2023}, month = {JUL}, pages = {790-800}, type = {Article}, abstract = {

Cellulolytic actinobacterium, Promicromonospora sp. VP111 concomitantly produced cellulases (CELs), xylanase and pectinase when grown on commercial cellulose and untreated agricultural lignocellulosic residues (wheat straw and sugarcane bagasse). Secreted CELs hydrolyzed (enhanced with Co2+ ion) multiple cellulosic substrates, including sodium carboxymethyl cellulose (Na-CMC), Whatman filter paper no. 1, microcrystalline cellulose (avicel), p-nitrophenyl-beta-D-glucopyranoside (pNPG), laminarin, and cellulose powder. The CELs showed stabilities in the presence of various chemicals, including glucose (0.2 M), detergents (1\%, w/v or v/v), denaturants (1\%, w/v or v/v), and sodium chloride (NaCl, 30\%, w/v). The CELs were fractionated using ammonium sulfate precipitation and dialysis. Activities (\%) of fractionated CELs were retained at 60 degrees C for endoglucanase/carboxymethyl cellulase (CMCase) (88.38), filter paper cellulase (FPase) (77.55), and beta-glucosidase (90.52), which indicated of thermo-stability. Similarly, the activities (\%) for CMCase (85.79), FPase (82.48), and beta-glucosidase (85.92) at pH 8.5 indicated of alkaline-stability. Kinetic factors, K-m and V-max for endoglucanase component of fractionated CELs were 0.014 g/l and 158.23 mu M glucose/min/mL, respectively. Fractionated CELs yielded activation energies (kJ/mol) of 17.933, 6.294, and 4.207 for CMCase, FPase, and beta-glucosidase activities, respectively in linear thermostable Arrhenius plots. Thus, this study reports on the multipurpose CELs from an untreated agricultural residue utilizing Promicromonospora in relation to broad substrate specificity, halo-tolerance, alkaline-tolerance, detergent-tolerance, thermo-tolerance, organic solvent-tolerance, and end product-tolerance.

}, keywords = {cellulases, cellulose, Endoglucanase, Lignocellulose, Promicromonospora sp, VP111}, issn = {0233-111X}, doi = {10.1002/jobm.202200679}, author = {Thomas, Lebin and Ram, Hari and Singh, Ved P.} } @article {48781, title = {Nanopore sequencing of RAGE gene polymorphisms and their association with type 2 diabetes}, journal = {ACS Omega}, volume = {8}, year = {2023}, month = {JUL}, pages = {25727-25738}, type = {Article}, abstract = {

The receptor foradvanced glycation end products (RAGE)is a transmembraneprotein that interacts with its ligands, advanced glycation end products(AGEs). AGEs are elevated in diabetes and diabetic complications,leading to increased oxidative stress and activation of pro-inflammatorypathways facilitated by AGE-RAGE signaling. Polymorphisms inthe RAGE gene can potentially affect AGE-RAGEinteraction and its downstream signaling, which plays a crucial rolein the progression of diabetes and its complications. In this study,we used nanopore sequencing for genotyping of RAGE polymorphism and identified a maximum number of 33 polymorphisms,including two previously unreported novel mutations in a cohort ofhealthy, type 2 diabetics without nephropathy and type 2 diabeticswith nephropathy in order to identify associations. Two novel RAGE polymorphisms in the intron 8 and 3 \& PRIME;UTR regionat genomic locations 32181834 and 32181132, respectively, were detectedwith a low frequency. For four previously reported polymorphisms,cross-validation by PCR-RFLP showed 99.75\% concordance with nanoporesequencing. Analysis of genotype distribution and allele frequenciesrevealed that five single nucleotide polymorphisms, i.e., rs1800625,rs3131300, rs3134940, rs2070600, and rs9391855, were associated withan increased risk for type 2 diabetes.

}, issn = {2470-1343}, doi = {10.1021/acsomega.3c00297}, author = {Chaurasiya, Arvindkumar H. and Khilari, Ajinkya A. and Kazi, Rubina and Jaiswal, Meera R. and Bhoite, Gouri M. and Padwal, Meghana K. and Momin, Abdulrahaman A. and Shanmugam, Dhanasekaran and Kulkarni, Mahesh J.} } @article {48834, title = {Nanosilica from Averrhoa bilimbi juice pre-treated rice husk: preparation and characterization}, journal = {Journal of Cleaner Production}, volume = {413}, year = {2023}, month = {AUG }, pages = {137476}, type = {Article}, abstract = {

The preparation of nanosilica from rice husk without using any concentrated mineral acids is a novel concept. This work proposes a bioleaching strategy to remove metallic impurities from rice husk for the preparation of nanosilica. Herein, nanosilica (BJRHS) was prepared by calcinating Averrhoa bilimbi juice pre-treated rice husks in a muffle furnace. The chemical and atomic structures of commercial precipitated silica (CS), rice husk ash (RHA), and BJRHS were analyzed using different analytical techniques. The optimal leaching time, calcination temperature, and calcination time were 1 h, 500 degrees C, and 6 h respectively. The particle size of BJRHS was found to be 6-12 nm, which is less than that of RHA and CS. The BET surface area of BJRHS (204 m2/g) was found to be greater than RHA (110.5 m2/g) and CS (172.1 m2/g). Mesoporous nanosilica with excellent surface area and purity was produced sustainably from rice husk which could be recommended to use in the field of catalysis, polymer technology, etc.

}, keywords = {Averrhoa bilimbi juice, Bioleaching, Nanosilica, rice husk}, issn = {0959-6526}, doi = {10.1016/j.jclepro.2023.137476}, author = {Dominic, C. D. Midhun and Neenu, K. V. and Begum, P. M. Sabura and Joseph, Rani and Rosa, Derval dos Santos and Duan, Yongxin and Balan, Aiswarya and Ajithkumar, T. G. and Soumya, Mary and Shelke, Ankita and Parameswaranpillai, Jyotishkumar and Badawi, Michael} } @article {48272, title = {Nanostructured Co-doped BiVO4 for efficient and sustainable photoelectrochemical chlorine evolution from simulated sea-water}, journal = {Dalton Transactions}, volume = {52}, year = {2023}, month = {FEB}, pages = {2051-2061}, type = {Article}, abstract = {

The co-production of hydrogen and chlorine from sea-water splitting could be a potential, sustainable and attractive route by any method. However, challenges to overcome are many, and critically, the sustainability and operating potential of the electrocatalyst are important. In this work, we report on Co-doping in the BiVO4 (Co-BV) crystal lattice and employed the same as the photoanode; Co-BV exhibits a photocurrent of 190 mu A cm(-2) at 1.1 V vs. RHE (the reversible hydrogen electrode) in the acidic sodium chloride solution (pH 2.3) under one sun illumination. The best-performing photoanode, with 0.05 mol\% of Co doping (0.05 Co-BV), selectively produced active chlorine with 92\% faradaic efficiency at 1.1 V vs. RHE by successfully suppressing the kinetically sluggish oxygen evolution reaction (OER) and the stability of the catalyst was demonstrated for up to 20 h. This is the lowest operating potential reported for the chlorine evolution reaction (CER), thus far. The overpotential required for CER with 0.05 Co-BV is lower than that of OER, which leads to selective CER at 1.1 V (vs. RHE). Co-doping into the BiVO4 lattice decreases the charge transfer resistance and enhances the CER kinetics due to its structural and electronic integration with the BV lattice. We demonstrate that Co-doping also improves the lifetime of the charge carrier and enhances the current density of CER and sustainability of the catalyst.

}, issn = {1477-9226}, doi = {10.1039/d2dt03369k}, author = {Chauhan, Inderjeet and Patra, Kshirodra Kumar and Bajpai, Himanshu and Mhamane, Nitin B. and Salgaonkar, Kranti N. and Gopinath, Chinnakonda S.} } @article {48760, title = {NHC-catalyzed enantioselective synthesis of tetracyclic δ-lactones by (4+2) annulation of ortho-quinodimethanes with activated ketones}, journal = {Organic Letters}, volume = {25}, year = {2023}, month = {OCT }, pages = {7852-7857}, type = {Article}, abstract = {

The N-heterocyclic carbene (NHC)-catalyzed generation of ortho-quinodimethanes (o-QDMs) from 9H-fluorene-1-carbaldehydes followed by the interception with activated ketones resulting in the enantioselective synthesis of tetracyclic delta-lactones is presented. High diastereoselectivity of products, remote C-(sp(3))-H functionalization, broad substrate scope, and mild reaction conditions are the notable features of the present (4 + 2) annulation.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.3c03076}, author = {Sarkar, Deeptanu and Barik, Shilpa and Shee, Sayan and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48752, title = {N-heterocyclic carbene-catalyzed atroposelective synthesis of N-N axially chiral 3-amino quinazolinones}, journal = {ACS Catalysis}, volume = {13}, year = {2023}, month = {JUN }, pages = {8752-8759}, type = {Article}, abstract = {

Although the atroposelective synthesisof biaryls and related compoundsbearing axially chiral C-C bonds is well-known, the synthesisof axially chiral C-N bond-containing compounds is relativelyless explored, and the construction of axially chiral N-N bondshas received only scant attention. Demonstrated herein is the N-heterocycliccarbene (NHC)-catalyzed selective amidation reaction, leading to theatroposelective synthesis of N-N axially chiral 3-amino quinazolinones.The NHC-catalyzed reaction of quinazolinones containing a free N-Hmoiety with \& alpha;,\& beta;-unsaturated aldehydes under oxidativeconditions furnished the atropisomeric quinazolinone derivatives undermild conditions and broad scope. Preliminary studies on experimentaland density functional theory-based N-N rotational barrierdetermination are also presented.

}, keywords = {amino quinazolinones, asymmetriccatalysis, axial chirality, N-heterocycliccarbenes, organocatalysis}, issn = {2155-5435}, doi = {10.1021/acscatal.3c01709}, author = {Balanna, Kuruva and Barik, Soumen and Barik, Shilpa and Shee, Sayan and Manoj, Niket and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article {48313, title = {Nitric acid free cyclohexane to adipic acid production using nickel and vanadium incorporated AlPO-5 molecular sieve}, journal = {Molecular Catalysis}, volume = {540}, year = {2023}, month = {APR }, pages = {113051}, type = {Article}, abstract = {

Rationally designing a stable and sustainable metal oxide supported over the molecular sieve catalysts for oxidizing cyclohexane (CYH) to adipic acid (AA) is vital in industrial applications. The in-situ hydrothermal synthesis method successfully incorporated vanadium and nickel into the aluminium phosphate-5 (AlPO-5) molecular sieves (MFI structure). The XPS and NH3 TPD analysis disclosed that the addition of Ni into V-AlPO-5 stabilizes the ratio of V4+/V5+, creating strong acidic sites and the formation of NiOOH, which are a vital role for the selective CYH oxidation to AA. An in-situ DRIFT study reveals that nickel takes part in the formation of dicarboxylate ions as an intermediate to form AA. Our catalytic studies profoundly suggested that the Ni0.1V0.2AlPO-5 catalyst used for CYH oxidation gives better selectivity towards AA (53\%) in the presence of oxygen at an appropriate amount of solvent without an initiator or promoter within a short time (3h).

}, keywords = {Adipic Acid, Cyclohexane oxidation, In situ DRIFT, NiOOH, NiVAlPO-5, Ratios ofV4+, V5+}, issn = {2468-8231}, doi = {10.1016/j.mcat.2023.113051}, author = {Prabu, Marimuthu and Sharma, Shweta and Raja, Abhishekram and Archana, Ramakrishnan and Samruddhi, Mane and Raja, Thirumalaiswamy} } @article {48828, title = {Non-Markov models of single-molecule dynamics from information-theoretical analysis of trajectories}, journal = {Journal of Chemical Physics}, volume = {159}, year = {2023}, month = {AUG }, pages = {064104}, type = {Article}, abstract = {

Whether single-molecule trajectories, observed experimentally or in molecular simulations, can be described using simple models such as biased diffusion is a subject of considerable debate. Memory effects and anomalous diffusion have been reported in a number of studies, but directly inferring such effects from trajectories, especially given limited temporal and/or spatial resolution, has been a challenge. Recently, we proposed that this can be achieved with information-theoretical analysis of trajectories, which is based on the general observation that non-Markov effects make trajectories more predictable and, thus, more {\textquoteleft}{\textquoteleft}compressible{\textquoteright}{\textquoteright} by lossless compression algorithms. Toy models where discrete molecular states evolve in time were shown to be amenable to such analysis, but its application to continuous trajectories presents a challenge: the trajectories need to be digitized first, and digitization itself introduces non-Markov effects that depend on the specifics of how trajectories are sampled. Here we develop a milestoning-based method for information-theoretical analysis of continuous trajectories and show its utility in application to Markov and non-Markov models and to trajectories obtained from molecular simulations.

}, issn = {0021-9606}, doi = {10.1063/5.0158930}, author = {Song, Kevin and Park, Raymond and Das, Atanu and Makarov, Dmitrii E. and Vouga, Etienne} } @article {48451, title = {Oligothiophene-ring-strapped perylene bisimides: functionalizable coaxial donor-acceptor macrocycles}, journal = {Angewandte Chemie-International Edition}, volume = {62}, year = {2023}, month = {JAN}, type = {Article}, abstract = {

Aesthetic designs from nature enable new knowledge to be gained and, at the same time, inspire scientific models. In this context, multicomponent macrocycles embody the advantage of precisely positioning the structural units to achieve efficient communication between them. However, the construction of a functionalizable macrocycle for ultrafast charge separation and stabilization has not been attempted. Herein, we report the synthesis, crystal structure, and transient absorption of a new functionalizable macrocycle consisting of an oligothiophene-ring-strapped perylene bisimide. Transient absorption results point to a sequential improvement in charge separation and stabilization from the macrocycle to the corresponding linear dimer and 2D polymer due to the unique design. Our macrocycle design with a supportive spatial arrangement of the donor and acceptor units will inspire the development of more complex synthetic systems with exciting electron-transfer and charge-separation features.

}, keywords = {Charge Separation, Donor-Acceptor Systems, Electron Transfer, Macrocycles, Perylene Bisimides}, issn = {1433-7851}, doi = {10.1002/anie.202212934}, author = {Dnyaneshwar Veer, Sairam and Chandrakant Wakchaure, Vivek and Asokan, Kiran and Dixit, Ruchi and Goswami, Tanmay and Saha, Ramchandra and Gonnade, Rajesh and Ghosh, Hirendra N. and Santhosh Babu, Sukumaran} } @article {48784, title = {One-pot synthesized efficient molybdenum-niobium-oxide nanocatalyst for selective C-O and C-N coupling reactions at mild conditions}, journal = {Catalysis Communications}, volume = {183}, year = {2023}, month = {OCT}, pages = {106766}, type = {Article}, abstract = {

An efficient molybdenum-niobium-oxide nanomaterial was synthesized by a one-pot hydrothermal method for selective C-O (glycerol ketalization) and C-N coupling (benzylamine oxidation) reactions. The catalytically favourable properties, such as defective metal sites, truncated surfaces, and uniform metal dispersion in the MoO3-Nb2O5 nanorods, calcined at 500 degrees C (MoNb OPS-5), were confirmed by Raman, HR-TEM, and STEM-EDX, respectively. Because of improved Lewis/Bronsted acidic strength, the MoNb OPS-5 catalyst showed higher activity in glycerol ketalization and benzylamine oxidation at mild conditions, giving superior selectivity to solketal (97\%) and dibenzylimine (99\%), respectively. The MoNb OPS-5 catalyst showed high structural stability and considerable good reusability efficacy.

}, keywords = {C-O and C-N coupling, Glycerol and benzylamine, Mo-Nb-O nanocatalyst, nanocatalysts, One-pot hydrothermal synthesis}, issn = {1566-7367}, doi = {10.1016/j.catcom.2023.106766}, author = {Kalbande, Pavan Narayan and Singh, Nittan and Swapna, Bhattu and Umbarkar, Shubhangi and Sudarsanam, Putla} } @article {48817, title = {Opaque cell-specific proteome of Candida albicans ATCC 10231}, journal = {Medical Mycology}, volume = {61}, year = {2023}, month = {JUL}, pages = {myad062}, type = {Article}, abstract = {

Candida albicans, a polymorphic opportunistic pathogen of humans, can exist in different morphological forms like yeast, hyphae, pseudohyphae, chlamydospores, and white and opaque cells. Proteomic analysis of opaque form of C. albicans ATCC 10231 is carried out in the present study using microflow liquid chromatography-tandem mass spectrometry and validated using expression analysis of selected genes using reverse transcription quantitative real-time PCR and mitochondrial membrane potential assay. This is the first report identifying opaque cell-specific proteins of C. albicans. A total of 188 proteins were significantly modulated under opaque form compared to white cells, of which 110 were upregulated, and 78 were downregulated. It was observed that oxidative phosphorylation (OxPhos) and oxidative stress are enhanced in C. albicans cells growing under opaque form as proteins involved in OxPhos (Atp1, Atp3, Atp16, Atp7, Cox6, Nuc2, Qcr7, and Sdh12) and oxidative stress response (Gcs1, Gtt11, Gpx2, Sod1, Ccp1, and Lys7) were significantly upregulated. The maximum upregulation of 23.16- and 13.93-fold is observed in the cases of Ccp1 and Nuc2, respectively. The downregulation of proteins, namely Als1, Csh1, Sap9, and Rho1, determining cell surface chemistry indicates modulation in cell wall integrity and reduced adhesion of opaque cells compared to white cells. This study is significant as it is the first draft of the proteomic profile of opaque cells that suggests enhanced OxPhos, oxidative stress, and modulation in cell surface chemistry indicating reduced adhesion and cell wall integrity, which could be associated with reduced virulence in opaque form. However, a deeper investigation is needed to explore it further. Lay Summary Opaque form is one of the least studied morphological forms of Candida albicans. To the best of our knowledge, this is the first report providing opaque cell-specific proteome. It suggests enhanced oxidative phosphorylation, oxidative stress, and modulation in cell surface chemistry, which could be associated with reduced virulence in opaque form.

}, keywords = {albicans, C, LC-MS, MS, opaque, Oxidative stress, OxPhos, protein}, issn = {1369-3786}, doi = {10.1093/mmy/myad062}, author = {Abdulghani, Mazen and Telang, Saraswati and Desai, Manisha and Kadam, Shivdas and Kazi, Rubina and Shelar, Amruta and Patil, Rajendra and Maurya, Radheshyam and Zore, Gajanan} } @article {48290, title = {Organic field effect transistors comprising copolymers synthesized without structure-directing moieties with enhanced carrier mobility}, journal = {ACS Applied Electronic Materials}, volume = {5}, year = {2023}, month = {APR}, pages = {2338-2344}, type = {Article}, abstract = {

Conjugated materials are synthesized by C-C bond formation reactions. Trimethyltin and boronic acid are two widely used structure-directing moieties. While using the ethynyl moiety as a part of the monomer, additional structure-directing moieties are not needed. However, ethynylene will be part of the conjugated material. Often, the polymers with an ethynylene moiety negatively impact the polymers{\textquoteright} properties. However, the ethynylene moiety could minimize the dihedral angle if the monomer has steric functionalities. For example, BODIPY is an attractive monomer due to its high molar extinction coefficient, partial quinoidal character, and high quantum yield. However, materials based on BODIPY exhibited poor charge carrier mobility due to steric hindrance generated by four methyl groups. Herein, we copolymerize BODIPY with ethynylene comprising i-indigo and thieno-i-indigo. The copolymer with thieno-i-indigo showed increased molecular weight and significantly reduced band gap compared to the copolymer with i-indigo. The copolymer with i-indigo showed immeasurably low hole transport mobility. On the other hand, the copolymer with thieno-i-indigo exhibited 0.003 cm2V(-1) s(-1). These measurements were made using field effect transistors. We also measured the charge carrier mobility using the space charge-limited current method. Both copolymers exhibited a mobility of 10(-3) cm(2) V-1 s(-1).

}, keywords = {acetylene linkage, BODIPY, field effect transistor, iso-indigo, Sonogashira coupling, thienoisoindigo}, doi = {10.1021/acsaelm.3c00160}, author = {Swain, Gitanjali and Javaregowda, Bharathkumar H. and Dambhare, Neha V. and Krishnamoorthy, Kothandam} } @article {48260, title = {Organophosphites: an addition to the arsenal of organocatalysts}, journal = {European Journal of Organic Chemistry}, volume = {26}, year = {2023}, month = {JAN}, type = {Review}, abstract = {

Organophosphites are nucleophilic in nature and can act as a good leaving group owing to the stability of the phosphite anion. This dual reactivity makes them good candidates for nucleophilic organocatalysis. However, phosphites were introduced only in 2004 as the umpolung catalyst for acylsilane substrates utilizing sequential Brook rearrangements. Very recently, phosphites have been reported to catalyze aza-rearrangements and radical reactions. In this review, we discuss the reactivity parameters to understand its lack of use, as well as the potential for catalysis.

}, keywords = {acylradical, azaacyl equivalent, cylanion, organocatalysis, phosphite}, issn = {1434-193X}, doi = {10.1002/ejoc.202201238}, author = {Baral, Nilofar and Rani, Soniya and Saikia, Pinku and Maity, Pradip} } @article {48292, title = {Oxidation of ethylene by Cu/TiO2: reducibility of Cu2+ in TiO2 as a possible descriptor of catalytic efficiency}, journal = {Catalysis Science \& Technology}, volume = {13}, year = {2023}, month = {APR}, pages = {2330-2339}, type = {Article}, abstract = {

Catalytic oxidation using non-noble metal-based catalysts is a promising approach to mitigate pollution due to VOCs in the air. In this work, mesoporous Cu/TiO2 catalysts containing different concentrations of Cu2+ (0.2, 1, 3, and 4 wt\% Cu w.r.t. Ti) were synthesized using the sol-gel technique. The catalysts were characterized using inductively coupled plasma-optical emission spectrometry, XRD, Raman spectroscopy, N-2 physisorption, cyclic voltammetry, H-2-TPR and electron microscopy to understand the structure and composition. The thermal catalytic gas phase oxidation of ethylene was studied by heating a mixture of ethylene (1.5 vol\%) and air (5.9 vol\%) in the presence of the Cu/TiO2 samples in the temperature range of 298 to 773 K. Cu/TiO2 showed a higher catalytic activity compared to TiO2 for the thermal oxidation of ethylene, indicating a strong promotion by doped copper ions. A volcanic behaviour in the catalytic activity was observed with different concentrations of Cu doping, with 1\% Cu/TiO2 showing a 99.5\% ethylene conversion at 673 K and 100\% selectivity to CO2. The activity of 1\% Cu/TiO2 remained consistent without deactivation for 24 h. At low dopant concentrations of Cu (0.2 and 1\% Cu/TiO2), the reduction of Cu2+ to Cu+ was observed. An interplay of oxygen vacancies (O-V), Cu+, Cu2+ and Ti4+ may be involved in controlling the activity. DRIFT studies indicated the formation of surface bidendate carbonate as a possible intermediate.

}, issn = {2044-4753}, doi = {10.1039/d2cy02170f}, author = {Rajendran, K. and Sharma, Mandeep and Jaison, Augustine and Ankitha, Menon and Tiwari, Ankit D. and Vinod, C. P. and Jagadeesan, Dinesh} } @article {48460, title = {Palladium-catalyzed oxidative cyclization of ?-allenols in the presence of TBN: access to 3(2H)-furanones}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {APR}, pages = {4112-4122}, type = {Article}, abstract = {

A new palladium-catalyzed oxidative cyclization of alpha-allenols is described. The readily accessible alpha-allenols participate in intra-molecular oxidative cyclization in the presence of TBN to grant access to multisubstituted 3(2H)-furanones, which are common motifs in several biologically important natural products and pharmaceuticals.

}, keywords = {Alternatively, conditions, cumbersome workup, intramolecular electrophilic, multiple reaction steps, noted examples}, issn = {0022-3263}, doi = {10.1021/acs.joc.2c024574112}, author = {Ghotekar, Ganesh S. and Shinde, Ravi A. and Saswade, Sagar S. and Muthukrishnan, M.} } @article {48476, title = {Parallel evolution of cannabinoid biosynthesis}, journal = {Nature Plants}, volume = {9}, year = {2023}, month = {MAY}, pages = {817+}, type = {Article}, abstract = {

This study reveals a cannabinoid biosynthetic pathway in Helichrysum umbraculigerum, a plant genetically distant from Cannabis, providing a potential source of new cannabinoids and metabolic engineering tools. Modulation of the endocannabinoid system is projected to have therapeutic potential in almost all human diseases. Accordingly, the high demand for novel cannabinoids stimulates the discovery of untapped sources and efficient manufacturing technologies. Here we explored Helichrysum umbraculigerum, an Asteraceae species unrelated to Cannabis sativa that produces Cannabis-type cannabinoids (for example, 4.3\% cannabigerolic acid). In contrast to Cannabis, cannabinoids in H. umbraculigerum accumulate in leaves{\textquoteright} glandular trichomes rather than in flowers. The integration of de novo whole-genome sequencing data with unambiguous chemical structure annotation, enzymatic assays and pathway reconstitution in Nicotiana benthamiana and in Saccharomyces cerevisiae has uncovered the molecular and chemical features of this plant. Apart from core biosynthetic enzymes, we reveal tailoring ones producing previously unknown cannabinoid metabolites. Orthology analyses demonstrate that cannabinoid synthesis evolved in parallel in H. umbraculigerum and Cannabis. Our discovery provides a currently unexploited source of cannabinoids and tools for engineering in heterologous hosts.

}, issn = {2055-026X}, doi = {10.1038/s41477-023-01402-3}, author = {Berman, Paula and de Haro, Luis Alejandro and Jozwiak, Adam and Panda, Sayantan and Pinkas, Zoe and Dong, Younghui and Cveticanin, Jelena and Barbole, Ranjit and Livne, Rotem and Scherf, Tali and Shimoni, Eyal and Levin-Zaidman, Smadar and Dezorella, Nili and Petrovich-Kopitman, Ekaterina and Meir, Sagit and Rogachev, Ilana and Sonawane, Prashant D. and Aharoni, Asaph} } @article {48308, title = {Pd loaded bismuth ferrite: a versatile perovskite for dual applications as acetone gas sensor and photocatalytic dye degradation of malachite green}, journal = {Ceramics International}, volume = {49}, year = {2023}, month = {FEB}, pages = {5738-5747}, type = {Article}, abstract = {

Herein we report the palladium loaded bismuth ferrite for its bidirectional application as acetone gas sensor and photocatalytic dye degradation of malachite green. The motivation for loading Pd on bismuth ferrite (BFO) is due to its fascinating catalytic redox reactions causing faster adsorption and desorption of the oxygen molecules over the metal oxide. The planned perovskites were developed via surfactant assisted sol-gel auto-combustion route, and characterized their physico-chemical properties using XRD, SEM, TEM, HRTEM, EDAX, XPS and BET. The developed BFO showed the best selectivity towards acetone, whose response was 69\% at 300 degrees C operating temperature for 500 ppm gas concentration. By tuning the surface area and catalytic behavior using CTAB and Pd loading, respectively, the enhancement in the gas response properties of BFO was achieved to 95\% with the response and recovery time of 75 s and 104 s. The 1 wt\% Pd loaded BFO showed the highest response (95\%) in comparison to rest of the Pd loadings (0.5, 1.5 and 2.0 wt\%). Moreover, the sunlight driven photocatalytic dye degradation of malachite green is carried out at 1 h exposure time. Here as well, 1 wt\% Pd loaded BFO exhibited the maximum dye degradation efficiency of 51\%. The results of this study demonstrate the developed perovskites have a significant potential for the use in dual applications such as acetone gas sensor and MG photocatalysis.

}, keywords = {Acetone sensor, Bismuth ferrite, Palladium loading, Photo dye -degradation}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2022.10.153}, author = {Ghadage, Pandurang and Kodam, Pavan and Nadargi, Digambar and Patil, Suraj and Tamboli, Mohaseen and Bhandari, Nagesh and Mulla, Imtiaz and Park, Chinho and Suryavanshi, Sharad} } @article {48783, title = {Pd(II)-catalyzed tandem cycloannulative-alkenylation of o-alkynyl-phenols/anilines with (E)-β-Iodovinyl sulfones: a direct strategy to construct 3-(Vinyl sulfonyl)benzoheterole derivatives}, journal = {Journal of Organic Chemistry}, volume = {88}, year = {2023}, month = {JUN }, pages = {8889-8903}, type = {Article}, abstract = {

Benzoheterolesand vinyl sulfones are the most promisingpharmaceuticalrelevance motifs, yet the hybrid analogues of these scaffolds stillneed to be explored. We report herein a general and highly efficientPd(OAc)(2)-catalyzed intramolecular cyclization and vinylationof o-alkynylphenols/o-alkynylanilineswith (E)-beta-iodovinyl sulfones under mild reactionconditions. A direct C(sp(2))-C(sp(2)) cross-couplingis enabled for the diversity-oriented synthesis of vinyl sulfone-tetheredbenzofurans and indoles in good to high yields with excellent stereoselectivity.Notably, this tandem process was consistent at the gram scale, andin situ, generation of 2-(phenylethynyl)phenol has also been utilizedin a scalable synthesis. Late-stage synthetic transformations werealso further explored, including isomerization and desulfonylative-sulfenylation.Moreover, several control experiments were accomplished, and we proposeda plausible mechanism based on existing experimental results.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.3c00671}, author = {Reddy, Raju Jannapu and Sharadha, Nunavath and Krishna, Gamidi Rama} } @article {48712, title = {Permeable polymersomes from temperature and pH dual stimuli-responsive PVCL-b-PLL block copolymers for enhanced cell internalization and lysosome targeting}, journal = {Biomaterials Advances}, volume = {151}, year = {2023}, month = {AUG}, pages = {213454}, type = {Article}, abstract = {

A series of dual stimuli-responsive block copolymers comprising temperature-responsive poly(N-vinyl-caprolactam) (PVCL) and biodegradable pH-responsive poly(L-lysine) (PLL) of varying chain length were syn-thesized by a combination of free radical polymerization and ring opening polymerization. The block copolymers formed micelles and vesicles (polymersomes) in response to temperature and pH, respectively, in aqueous so-lution. The nanoassemblies were characterized by transmission electron microscopy and dynamic light scattering techniques. Encapsulation of both hydrophobic and hydrophilic dyes in the polymersomes was shown. Doxo-rubicin (DOX) was loaded in the polymersomes and its controlled release in response to the two stimuli, inde-pendently and jointly, was studied. The drug was found to be released due to stimuli-induced increased permeability without disassembly of the polymersomes. A significant increase in the cellular uptake of the drug-loaded polymersomes at hyperthermia conditions was demonstrated at 41 degrees C and release of the drug upon localization in lysosomes was observed. Cellular internalization pathway of the polymersomes was investigated by competitive inhibition assay and a combination of endocytic pathways dominated by caveolae-mediated mechanism was found to be operative.

}, keywords = {block copolymers, Controlled release, drug delivery, endocytosis, Polymersomes, Stimuli-responsive}, doi = {10.1016/j.bioadv.2023.213454}, author = {Surapaneni, Sai Geetika and Choudhari, Shakeb N. and Avhad, Shankarrao V. and Ambade, Ashootosh V.} } @article {48785, title = {Photogating induced high sensitivity and speed from heterostructure of few-layer MoS2 and reduced graphene oxide-based photodetector}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {NOV}, pages = {30419-30427}, type = {Article}, abstract = {

Over the past few years, two-dimensional transition metal dichalcogenides (2D-TMDC) have attracted huge attention due to their high mobility, high absorbance, and high performance in generating excitons (electron and hole pairs). Especially, 2D molybdenum disulfide (MoS2) has been extensively used in optoelectronic and photovoltaic applications. Due to the low photo-to-dark current ratio (I-photo/dark) and low speed, pristine MoS2-based devices are unsuitable for these applications. So, they need some improvements, i.e., by adding layers or decorating with materials of complementary majority charges. In this work, we decorated pristine MoS2 with reduced graphene oxide (rGO) and got improved dark current, I-photo/dark, and response time. When we compared the performance of pristine MoS2 based device and rGO decorated MoS2 based device, the rGO/MoS2-based device showed an improved performance of responsivity of 3.36 A W-1, along with an I-photo/dark of about 154. The heterojunction device exhibited a detectivity of 4.75 x 10(12) Jones, along with a very low response time of 0.184 ms. The stability is also outstanding having the same device performance even after six months.

}, issn = {1463-9076}, doi = {10.1039/d3cp03518b}, author = {Das, Chayan and Kumar, Ashok and Kumar, Suresh and Dambhare, Neha V. and Kumar, Mahesh and Rath, Arup K. and Sahu, Satyajit} } @article {48328, title = {Photoplethysmograph based arrhythmia detection using morphological features}, journal = {Biomedical Signal Processing and Control}, volume = {81}, year = {2023}, month = {MAR}, pages = {104422}, type = {Article}, abstract = {

Photoplethysmography (PPG) is a non-invasive optical technique that is used for the detection of cardiovascular diseases. The paroxysmal nature of arrhythmic events and the lack of timely recorded data emphasize the need to develop an automated method for the identification of arrhythmias. The literature shows the detection of a single type of arrhythmia using PPG. However, limited research has been carried out for the detection of multiple types of arrhythmia. In this research work, a new set of morphological features have been proposed for the automated detection of multiple arrhythmias using rule-based and statistical learning-based approaches. The proposed work has been implemented on the retrospective dataset and validated on the prospective dataset. The results show that the rule-based arrhythmia detection method is equipollent to the statistical learning approach with an accuracy of 98.43\%/94.16\% on the retrospective dataset and 94.16\%/93\% on the prospective dataset.

}, keywords = {Arrhythmia, Machine learning algorithms, Photoplethysmography, Signal processing}, issn = {1746-8094}, doi = {10.1016/j.bspc.2022.104422}, author = {Neha and Sardana, H. K. and Kanawade, R. and Dogra, N.} } @article {48759, title = {Polyethylene-grafted sheet-like silsesquioxane nanocomposites with unprecedented adhesion to polar substrates}, journal = {ACS Applied Polymer Materials}, volume = {5}, year = {2023}, month = {JUL}, pages = {5972-5983}, type = {Article}, abstract = {

Polyethylene is a highly apolar polymer with very pooradhesionto most substrates, necessitating the use of tie layers. Therefore,the synthesis of functional polyethylene is a long-standing challengein catalytic ethylene polymerization. Here, we report the preparationof a nanocomposite comprising polyethylene covalently grafted ontosheet-like silsesquioxanes, with unprecedented adhesion to metal andglass. A norbornene-grafted, layered Mg-silsesquioxane is treatedwith Grubbs second-generation catalyst (G-II), and the identity ofcovalently tethered G-II is unambiguously ascertained. Covalentlytethered G-II catalyzes the ring opening metathesis polymerizationof cyclooctene to poly(cyclooctene). The resulting poly(cyclooctene)is catalytically hydrogenated to yield polyethylene. This polyethylenenanocomposite exhibited a bonding strength of the order of 100 MPaon stainless steel and aluminum, 10-fold higher than reported forengineered polyethylene copolymers. The nanocomposite exhibits anincrease in the polar component of surface energy, yet remains compatibleand cocrystallizes with a polyethylene matrix.

}, keywords = {adhesion, clay, Nanocomposite, Polyethylene, silsesquioxane}, issn = {2637-6105}, doi = {10.1021/acsapm.3c00649}, author = {Sharma, Vivek and Paulbudhe, Uday and Bachhar, Nirmalya and Chikkali, Samir H. and Kumaraswamy, Guruswamy} } @article {48800, title = {Possible handle for broadening the catalysis regime towards low temperatures: proof of concept and mechanistic studies with CO oxidation on surface modified Pd-TiO2}, journal = {Physical Chemistry Chemical Physics}, volume = {25}, year = {2023}, month = {AUG }, pages = {22040-22054}, type = {Article}, abstract = {

The present work demonstrates the effect of temperature-dependent surface modification (SM) treatment and its influence in broadening the catalysis regime with Pd-TiO2 catalysts prepared by various methods. Due to SM induced changes, a shift in the onset of CO oxidation activity as well as broadening of the oxidation catalysis regime by 30 to 65 K to lower temperatures is observed compared to the temperature required for virgin counterparts. SM carried out at 523 K for Pd-Photo-TiO2 exhibits the lowest onset (10\% CO2 production - T-10) and T-100 for CO oxidation at 360 and 392 K, respectively, while its virgin counterpart shows T-10 and T-100 at 393 and 433 K, respectively. The SMd Pd-TiO2 catalysts were investigated using X-ray photoelectron spectroscopy (XPS), ultra-violet photoelectron spectroscopy (UPS) and atomic force microscopy (AFM). It is observed that diffusion of atomic oxygen into Pd-subsurfaces leads to SM and changes the nature of the surface significantly. These changes are demonstrated by work function (\& phi;), surface potential, catalytic activity, and correlation among them. UPS results demonstrate the maximum increase in \& phi; by 0.5 eV for Pd-Photo-TiO2 after SM, compared to all other catalysts. XPS study shows a moderate to severe change in the oxidation states of Pd due to atomic oxygen diffusion into the subsurface layers of Pd. Kelvin probe force microscopy (KPFM) study also reveals corroborating evidence that the surface potential increases linearly with increasing temperature deployed for SM up to 523 K, followed by a marginal decrease at 573 K. The \& phi; measured by KPFM and UPS shows a similar trend and correlates well with the changes in catalysis observed. Our results indicate that there is a strong correlation between surface physical and chemical properties, and \& phi; changes could be considered as a global marker for chemical reactivity.

}, issn = {1463-9076}, doi = {10.1039/d3cp01122d}, author = {Mhamane, Nitin B. B. and Panchal, Suresh and Kolekar, Sadhu K. K. and Ranjan, Ravi and Salgaonkar, Kranti N. N. and Burange, Anand S. S. and Nalajala, Naresh and Datar, Suwarna and Gopinath, Chinnakonda S. S.} } @article {48789, title = {Promoting effect of titanium on C-O hydrogenolysis of erythritol to 1,4-butanediol over Pt/W/Ti-SBA-15 catalysts}, journal = {Applied Catalysis A-General}, volume = {666}, year = {2023}, month = {SEP }, pages = {119425}, type = {Article}, abstract = {

The C-O hydrogenolysis of erythritol was investigated using Pt/W/Ti-SBA-15 catalysts (4 wt\% Pt, 1 wt\% W and Si/Ti molar ratio = 50, 33, 20 and 10). Ti-incorporation enhanced the hydrogenolysis activity and the yield of 1,4-butanediol (1,4-BDO). A catalyst with Si/Ti = 20 afforded erythritol conversion of 94 mol\% with 1,4-BDO yield of 32.6 mol\% and total BDOs yield of 51.7 mol\% at 190 degrees C, 50 bar H2 and 12 h. For the catalyst with no titanium (Pt/W/SBA-15), a double the time was required to achieve such yield. There observed electronic connectivity amongst Ti, Pt and W. For the catalyst with Si/Ti = 20, a greater amount of interfacial Pt-O-W(Ti) sites with Pt in + 2 oxidation state was present. The enhanced catalytic performance of these catalysts was corresponded to dispersed Pt (that facilitate hydrogen activation and spillover) and acidic interfacial Pt-O-W sites (that promote the adsorption and hydrogenolysis of erythritol to diols).

}, keywords = {Biomass conversion, Erythritol, Hydrogenolysis, Polyols, Promotional effect of Ti, Terminal diol, Ti-SBA-15-supported Pt/W catalysts}, issn = {0926-860X}, doi = {10.1016/j.apcata.2023.119425}, author = {Bhowmik, Susmita and Akula, Venugopal and Sethia, Govind and Marimuthu, Banu and Darbha, Srinivas} } @article {48324, title = {Pt-anchored-zirconium phosphate nanoplates as high-durable carbon-free oxygen reduction reaction electrocatalyst for PEM fuel cell applications}, journal = {Advanced Sustainable Systems}, volume = {7}, year = {2023}, month = {FEB}, type = {Article}, abstract = {

Commercially available platinum-supported carbon (Pt/C) catalysts are the most widely used oxygen reduction reaction (ORR) electrocatalysts in polymer electrolyte membrane fuel cells (PEMFCs). However, inadequate active triple-phase boundary formation and carbon oxidation in Pt/C during PEMFC operation shorten its lifetime and efficiency. In this direction, a new class of carbon-free electrocatalysts for ORR is prepared by dispersing Pt nanoparticles on ZrP (Zirconium phosphates) nanoplates. In one case (ZrP@Pt), the Pt nanoparticles are found to be closely distributed and completely covering the ZrP nanoplates, whereas in the second case (Pt/ZrP), the Pt nanoparticles selectively restrict dispersion along the edges of the support. ZrP as the support displays an intrinsic proton conductivity of approximate to 0.5 x 10(-4) S cm(-1) at 70 degrees C, with an activation energy (E-a) of 0.19 eV. Pt/ZrP shows better durability after 3000 start-stop cycles. The mass activity of Pt/ZrP is increased by 4.6 times compared to Pt/C, which exhibits a loss in mass activity by 1.37 times. The single-cell level validation of ZrP@Pt, Pt/ZrP, and Pt/C as the electrocatalysts in PEMFC at an operating potential of 0.60 V shows the achievable current densities of 0.600, 0.890, and 0.890 A cm(-2).

}, keywords = {carbon-free electrocatalysts, fuel cells, oxygen reduction reaction, zirconium phosphate}, issn = {2366-7486}, doi = {10.1002/adsu.202200330}, author = {Kumar, Sachin and Yoyakki, Athira and Pandikassala, Ajmal and Soni, Roby and Kurungot, Sreekumar} } @article {48751, title = {Review on catalytic hydrogenation of biomass-derived furfural to furfuryl alcohol: recent advances and future trends}, journal = {Energy \& Fuels}, volume = {37}, year = {2023}, month = {JUL}, pages = {11475-11496}, type = {Review}, abstract = {

Biomass is one of the highly abundantrenewable resourcesavailablethat can be converted into several high-value-added products, includingchemicals, biofuels, and advanced materials. To achieve net-zero emissionsand improve biomass application, researchers around the world haverecently focused on expanding biomass processing techniques to value-addedproducts with the eventual goal of industrializing some of the products.In this review, we summarize lignocellulosic biomass derived furfural(FA) and its subsequent hydrogenation to furfuryl alcohol (FAL). Thiswork reviews the various types of hydrogenation catalysts and theirutility in the production of value-added products from FA. There willbe an increase in the demand for selective catalysts and process technologies,as well as an increase in the challenges during valorization, as theusage of biomass to achieve carbon neutrality increases. The reviewaims to provide a concise overview of the advancements in this fieldand the potential for sustainable FAL production. In this paper, wepresent a simple strategy for selecting catalyst systems and associatedprocess parameters that facilitate the highly efficient and selectivevalorization of FA to chemicals or fuel (bioadditives) for industrialuse.

}, issn = {0887-0624}, doi = {10.1021/acs.energyfuels.3c01174}, author = {Racha, Arundhathi and Samanta, Chanchal and Sreekantan, Sreejith and Marimuthu, Banu} } @article {48472, title = {Rivaroxaban eutectics with improved solubility, dissolution rates, bioavailability and stability}, journal = {Crystengcomm}, volume = {25}, year = {2023}, month = {JUN }, pages = {3253-3263}, type = {Article}, abstract = {

Rivaroxaban (RXB) is a direct factor Xa inhibitor used for the treatment of deep vein thrombosis (DVT, a blood clot in the leg) and pulmonary embolism (PE, a blood clot in the lung) and to prevent blood clots in atrial fibrillation following hip or knee surgery. However, RXB suffers from poor solubility that hinders its broader application. Although its cocrystals are reported for solubility enhancement, the methodology used to prepare multi-component crystals is complex. Also, it uses hazardous solvents to develop cocrystals. We have prepared eutectics of RXB with caffeic acid (CAA), coumaric acid (CA), fumaric acid (FA), succinic acid (SA), mandelic acid (MA) and trimesic acid (TA) and analyzed them using hot stage microscopy (HSM), differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD), and fourier transform infrared spectroscopy (FTIR) techniques. The saturation solubility and dissolution rate profiles were also obtained to investigate the effect of eutectics on these parameters. Amongst all the coformers tested, coformers CAA, CA, and FA showed significant enhancement in the solubility of RXB. The powder dissolution rate of the eutectics showed considerable enhancement compared to that of RXB. In vivo pharmacokinetic study was carried out for RXB-CAA, RXB-CA and RXB-FA in rats and compared with RXB, which showed 1.5 and 1.4 times enhancement in relative bioavailability for RXB-CAA and RXB-CA, respectively. Stability studies were carried out as per ICH guidelines for all the eutectics, which revealed excellent stability over six months under accelerated (40 degrees C and 75\%) conditions and twelve months under long-term (30 degrees C and 60\% RH) conditions. The DFT studies carried out using the B3LYP/TZVP level of theory revealed higher Gibbs free interaction energy (Delta G(int)) for homosynthons (drugMIDLINE HORIZONTAL ELLIPSISdrug and coformerMIDLINE HORIZONTAL ELLIPSIScoformer) than heterosynthons (drugMIDLINE HORIZONTAL ELLIPSIScoformer).

}, doi = {10.1039/d3ce00261f}, author = {Shaligram, Parth S. and George, Christy P. and Sharma, Himanshu and Mahadik, Kakasaheb R. and Patil, Sharvil and Vanka, Kumar and Arulmozhi, S. and Gonnade, Rajesh G.} } @article {48287, title = {Robust optimization and characterization of MCM-41 nanoparticle synthesis using modified sol-gel method}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {MAR}, pages = {e202204968}, type = {Article}, abstract = {

Mesoporous silica nanoparticles (MSN) for drug delivery application requires great expertise to synthesize small sized monodisperse particles. We aimed at synthesizing and optimizing MCM-41 particles with the modified Stober{\textquoteright}s method by adjusting factors such as concentrations of cetyltrimethylammonium bromide (CTAB), sodium hydroxide (NaOH) and water (H2O) with respect to tetraethyl orthosilicate (TEOS), and a process parameter (stirring). We comprehended that the reactants determined the shape and size of both the particles and pores. Upon extensive characterization we report the synthesis of spherical particles of similar to 70 nm size in a monodisperse population; the structures had hexagonal ordered pores of diameter 3.071 nm and volume 3.124 cm(3)/g; the total surface area of 3410.648 m(2)/g of the particles was covered with silanol groups that aid in functionalization; the particles exhibited great thermal stability. Thus, the extensive optimization fabricated robust MCM-41 particles fit for drug delivery application.

}, keywords = {characterization technique, dynamic light scattering (DLS), mesoporous materials, Nanoparticles, sol gel processes}, issn = {2365-6549}, doi = {10.1002/slct.202204968}, author = {Shende, Rajnigandha A. and Chaudhari, Bhushan P.} } @article {48333, title = {Salicylaldehydate coordinated two-dimensional-conjugated metal-organic frameworks}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {FEB }, pages = {2608-2611}, type = {Article}, abstract = {

A novel class of copper-based 2D-c-MOF was synthesized from 1,3,5-triformylphloroglucinol using green mechano-chemistry. Herein, metal coordination with the salicylaldehyde functional moiety was explored for the first time in MOFs. Moreover, an intrinsic semiconductive copper-based SA-MOF thin film was fabricated using an in situ salt-free method at room temperature.

}, issn = {1359-7345}, doi = {10.1039/d2cc06283f}, author = {Mohammed, Abdul Khayum and Pena-Sanchez, Pilar and Pandikassala, Ajmal and Gaber, Safa and AlKhoori, Ayesha A. and Skorjanc, Tina and Polychronopoulou, Kyriaki and Kurungot, Sreekumar and Gandara, Felipe and Shetty, Dinesh} } @article {48683, title = {Scalable synthesis of dodecanethiol-capped bismuth nanoparticles by a solvent-free solid-state grinding method for reduction of 4-nitrophenol to 4-aminophenol}, journal = {Langmuir}, volume = {39}, year = {2023}, month = {Aug}, pages = {11888-11897}, type = {Article}, abstract = {

Thiol-capped metal nanoparticles have two constituents:an inorganicmetal and an organic molecule as a shell. Both characters are inbuiltin the structure of the metal thiolate. Herein, we have investigatedbismuth dodecanethiolate as a precursor for the synthesis of dodecanethiol-cappedbismuth nanoparticles (Bi NPs) by a solid-state grinding method. Byusing sodium borohydride and bismuth dodecanethiolate, crystallinebismuth nanoparticles are synthesized in a solvent-free environmentat room temperature (24 \& PLUSMN; 4 \& DEG;C). Bi NPs are tested for catalyticactivity by reducing 4-nitrophenol (4-NP) to 4-aminophenol (4-AP)with an excess of NaBH4. Dodecanethiol-capped bismuth nanoparticlesexhibit an efficient reduction of 4-NP to 4-AP within 12 min. Additionally,these nanoparticles remain catalytically active for up to three cycles.

}, issn = {0743-7463}, doi = {10.1021/acs.langmuir.3c01694}, author = {Singh, Dinesh and Poddar, Pankaj} } @article {48780, title = {Seasonal dynamics and tree foliar habit drive the rhizobacterial diversity in congeneric Ficus species from Northern Western Ghats, India}, journal = {Rhizosphere}, volume = {28}, year = {2023}, month = {DEC}, pages = {100790}, type = {Article}, abstract = {

Tree species, annual climatic cycle, and geochemical properties influence the tree rhizospheric microbiome. However, its understanding in the moist deciduous forest of Northern Western Ghats (NWG), India, is limited. Moreover, the effects of foliar habits of trees and seasonal variations on rhizobacterial communities across congeneric tree species are unexplored. Hence, we employed high throughput 16 S rRNA gene sequencing to examine the effects of foliar habits of congeneric tree species and seasonal influences on the rhizobacterial community. For this study, rhizospheric soil from Ficus arnottiana (deciduous) and Ficus talboti (evergreen) trees from NWG, India, was collected during three seasons (summer, monsoon, and winter) and subjected to high throughput sequencing. A total of 3031 amplicon sequence variants (ASV) were observed, of which 1257 and 1181 ASV were unique to F. arnottiana and F. talboti, respectively, and 593 ASV were common to both species. The phyla Actinobacteria, Proteobacteria, Acidobacteria, and Chloroflexi were ubiquitous and contributed \>90\% to the rhizobacterial community. Some bacterial phyla were exclusively associated with either of the tree species and seasons. Different bacterial phyla performed similar functions in different seasons, indicating their functional redundancy and emphasizing their resilience and adaptability across seasons. It was observed that seasonal dynamics mainly drove the rhizobacterial diversity; however, it was also influenced by the foliar habits of the trees and geochemical properties. The study enhances the understanding of congeneric tree microbiomes and offers valuable insights into their potential applications through microbiome engineering.

}, keywords = {Amplicon variants, Bacterial diversity, Ficus arnottiana, Ficus talboti, Rhizosphere}, doi = {10.1016/j.rhisph.2023.100790}, author = {Salunkhe, Vaishnavi H. and Kunte, Pooja S. and Paul, Dhiraj and Kasodekar, Amol K. and Kadoo, Narendra Y.} } @article {48273, title = {Selective and generic photocatalytic oxidation of alcohol with Pd-TiO2 thin films: butanols to butanal/butanone with different morphologies of Pd and 0.5 theta(Pt)-Pd counterparts}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {MAR}, type = {Article}, abstract = {

The present study reports on the photocatalytic oxidation of butanols to butanal/butanone using thin film form of facet-dependent nano-Pd supported on commercial TiO2 under one-sun condition and demonstrates the generic nature. Pd-nanocube (Pd-NC(100)), Pd-truncated octahedron (Pd-TO (100) and (111)), polycrystalline (Pd-PC), and their counterparts with half-a-monolayer Pt-coated on Pd (0.5 theta(Pt)-Pd)) have been used as co-catalyst. A potentially scalable thin film form of Pd/TiO2 photocatalyst, prepared by drop-casting method, has been employed to study oxidation of n-butanol, 2-butanol, and iso-butanol to corresponding aldehyde/ketone. 100\% selectivity is demonstrated to respective aldehyde/ketone with any catalyst used in the present study with varying degree of butanols conversion by NMR. 0.5 theta(Pt)-Pd-TO/TiO2 shows the highest conversion of 2-butanol to butanone (13.6\% in 4 h). Continuous 10 h of reaction with the most active 0.5 theta(Pt)-Pd-TO/P25 catalyst demonstrates 31\% conversion of 2-butanol to butanone, and catalyst recyclability has been demonstrated. The present protocol can be scalable to large scales to maximize the conversion in direct sunlight. Due to its generic nature, the current method can also be applied to many other alcohols and substrate molecules.

}, keywords = {energy conversion, Nanomaterials, Oxidation, Photocatalysis, Sustainability}, issn = {1861-4728}, doi = {10.1002/asia.202201239}, author = {Salgaonkar, Kranti N. and Kale, Sandip R. and Nalajala, Naresh and Mansuri, Sayana and Gopinath, Chinnakonda S.} } @article {48466, title = {Selective one pot multicomponent green synthesis of 3-[(aryl)(arylthio)methyl]-1H-indole derivatives utilizing enhanced Lewis acidic sites of Surfactant-assisted ZnO catalyst}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {MAY}, pages = {e202300736}, type = {Article}, abstract = {

Five different ZnO nanocrystallites (ZnO-1 to ZnO-5) were successfully synthesized by a surfactant-assisted hydrothermal technique using various surfactants. All the ZnO nanocrystallites are thoroughly characterized by XRD, IR, UV-DRS spectroscopy and FESEM-EDS analysis. Among the synthesized ZnO nanocrystallites, the CTAB-assisted synthesized ZnO-4 exhibited a fine disc-like morphology with a minimum crystallite size (23 nm). Subsequent to reaction optimization studies, the ZnO-4 is utilized as an efficient catalyst for one pot-three component green synthesis of 3-[(aryl)(arylthio)methyl]-1H-indoles (4a-4p) via. condensation of a variety of indoles, aromatic aldehydes and aromatic thiols at room temperature in water. The single-crystal X-ray structure of 3-[(phenyl)(phenylthio)methyl]-1H-indole (4a) is also been reported (CCDC 2170437). The Lewis acidic property of the catalyst-supported probable mechanism is well proposed subsequent to pyridine-IR studies of the ZnO catalysts. Indeed, CTAB-assisted synthesized ZnO-4 was found to be most effective and selective Lewis acid catalyst for the synthesis of a variety of 3-[(aryl)(arylthio)methyl]-1H-indole derivatives in water at ambient temperature with merits like higher yields, lower reaction time, catalyst recovery and reuse.

}, keywords = {3-[(aryl)(arylthio)methyl]-1H-indole, green synthesis, Lewis acidity, Single crystal, ZnO}, issn = {2365-6549}, doi = {10.1002/slct.202300736}, author = {Sangale, Vijay B. B. and Jagtap, Rohidas M. M. and Mali, Bhupendra P. P. and Gonnade, Rajesh G. G. and Pardeshi, Satish K. K.} } @article {48768, title = {Selective oxidation of 5-HMF to DFF over alkali promoted Mn nanocomposite}, journal = {Applied Catalysis A-General}, volume = {659}, year = {2023}, month = {JUN}, pages = {119180}, type = {Article}, abstract = {

Various compositions of Cs promoted Mn catalysts were synthesized and investigated for selective oxidation of 5HMF to DFF, among which Mn-Cs(80:20) was found to be most efficient giving 91 \% conversion of 5-HMF and 99 \% selectivity to DFF. Detail characterization like N2-sorption, BET surface area, TG-DTA, XRD, XPS, FE-SEM-EDX, TEM, HR-TEM, CO2-TPD, H2-TPR, O2-TPO, FTIR, Raman spectra and CH3OH-IR were done to establish structureactivity correlation. Enhanced surface area, porosity, thermal stability, dual morphologies were observed due to inclusion of Cs in Mn lattice domain which further enhanced the crystallinity, and oxygen diffusion on the surface. Mixed morphologies comprising nanoparticles (4-5 nm) and nanocubes (50-60 nm) were observed with enhanced redox potential and reduced work function due to weakening of Mn-O bonds. Significant increase in the basicity of catalyst, interfacial redox properties and lattice oxygen led to highly efficient oxidation of 5-HMF to DFF via Mars-van Krevelen mechanism at relatively milder conditions i.e. T = 90 degrees C and PO2= 200 psig. The catalyst was easily recyclable up to 7 times with minor loss in activity which was regenerated heat treatment protocol.

}, keywords = {5-HMF, Biomass, heterogeneous catalyst, polyurethane, Selective oxidation}, issn = {0926-860X}, doi = {10.1016/j.apcata.2023.119180}, author = {Solanki, Bhanupratap Singh and Roh, Hyun-Seog and V. Rode, Chandrashekhar} } @article {48291, title = {Short review on recent advances in porous adsorbents for separation of oxygen from atmospheric air}, journal = {Asia-Pacific Journal of Chemical Engineering}, volume = {18}, year = {2023}, month = {MAR}, type = {Review}, abstract = {

Pure oxygen demand is continuously increasing worldwide due to wide applications including medical and industrial. Pressure swing adsorption (PSA) is one of the promising techniques to separate O-2 from atmospheric air. The porous solid adsorbent is a key element in the PSA to trap nitrogen (N-2) and release O-2. Several adsorbents including low silica X (LSX), zeolite 5A, ion-exchanged LSX (Li-LSX, AgLi-LSX, Ca-LSX), Engelhard titanosilicate (Na-ETS-10, Ag-ETS-10), and SSZ-13 have been investigated for adsorption of N-2 from the air. This review article is a summarization of recent research work published on O-2 separation using different porous adsorbents via PSA. This review also emphasizes on the best porous sorbent for purification of O-2 by sorption of N-2 and Ar. The adsorption capacities with experimental conditions are also rigorously discussed. The review also proposed future trends and prospects for O-2 separation. This review will be helpful to choose remarkable adsorbent for the generation pure O-2.

}, keywords = {13X zeolite, adsorbent, ETS-10, oxygen, Separation}, issn = {1932-2135}, doi = {10.1002/apj.2896}, author = {Shrotri, Aadesh R. R. and Niphadkar, Prashant S. S. and Bokade, Vijay V. V. and Utgikar, Vivek P. P. and Nandanwar, Sachin U. U.} } @article {48738, title = {Six-membered NHC stabilized monomeric zinc complexes}, journal = {European Journal of Inorganic Chemistry}, volume = {26}, year = {2023}, month = {JUL}, pages = {e202300167}, type = {Article}, abstract = {

This paper describes the rare use of a 6-membered saturated N-heterocyclic carbene (NHC) known as 1,3-di(2,6-diisopropylphenyl) tetrahydropyrimidine-2-ylidene (abbreviated as 6-SI-Dipp) as a ligand in zinc chemistry. We report on the investigation of the reactions between 6-SI-Dipp and ZnX2, which resulted in a range of new monomeric 6-SIDipp center dot ZnX2 complexes (X=Et (1), Cl (2), Br (3), and I (4)). We also prepared a new NHC zinc complex where the two substituents of the zinc atom are different, 6-SIDipp center dot Zn(Et)Br (7) through the reaction of the proligand [6-SIDippH]Br with ZnEt2. We have observed that the reactions of complex 1 with sulfur and HBpin led to the removal of the ZnEt2 moiety, resulting in the formation of a C=S double bond and a B H activation product, respectively. Lastly, the reaction of 1 with five-membered NHCs led to the exchange of carbene and the formation of either 5-IDipp center dot ZnEt2 (8) or 5-SIDipp center dot ZnEt2 (9).

}, keywords = {Lewis adduct, NHC, X-ray diffraction, zinc}, issn = {1434-1948}, doi = {10.1002/ejic.202300167}, author = {Gour, Kritika and Kundu, Gargi and Dash, Soumya Ranjan and Vanka, Kumar and Tothadi, Srinu and Sen, Sakya S.} } @article {48831, title = {Solvation structure and dynamics of a small ion in an organic electrolyte}, journal = {Journal of Photochemistry and Photobiology A-Chemistry}, volume = {440}, year = {2023}, month = {JUN}, pages = {114666}, type = {Article}, abstract = {

Organic carbonates are commonly used as electrolytes in commercial lithium-ion batteries. A detailed interpretation of the solvation structure and dynamics of the electrolyte around ions is necessary to understand the charge/discharge process in batteries. This work combines infrared absorption spectroscopy with quantum chemical calculations and molecular dynamics simulations to decipher the solvation structure of propylene carbonate, a cyclic carbonate, around the dissolved thiocyanate ion. Two dimensional infrared spectroscopy and polarization-selective pump probe spectroscopies have been utilized to extract the timescales of solvent fluctuation and the solute reorientational dynamics. The similarity in the slow timescales for the solute and the solvent dynamics signifies that similar processes control both dynamics.

}, issn = {1010-6030}, doi = {10.1016/j.jphotochem.2023.114666}, author = {Kore, Shivshankar and Sahoo, Rudhi Ranjan and Santra, Binit and Sarkar, Archishman and Chowdhury, Tubai and Deshmukh, Samadhan H. and Hazarika, Sulagna and Chatterjee, Srijan and Bagchi, Sayan} } @article {48322, title = {Spatio-temporal variation of the microbiome and resistome repertoire along an anthropogenically dynamic segment of the Ganges River, India}, journal = {Science of the Total Environment}, volume = {872}, year = {2023}, month = {MAY}, pages = {162125}, type = {Article}, abstract = {

Aquatic ecosystems are regarded as a hub of antibiotic and metal resistance genes. River Ganges is a unique riverine system in India with socio-cultural and economic significance. However, it remains underexplored for its microbiome and associated resistomes along its anthropogenically impacted course. The present study utilized a nanopore sequenc-ing approach to depict the microbial community structure in the sediments of the river Ganges harboring antibiotic and metal resistance genes (A/MRGs) in lower stretches known for anthropogenic impact. Comprehensive microbiome analyses revealed resistance genes against 23 different types of metals and 28 classes of antibiotics. The most dominant ARG category was multidrug resistance, while the most prevalent MRGs conferred resistance against copper and zinc. Seasonal differences dismally affected the microbiota of the Ganges. However, resistance genes for fosmidomycin and tetracycline varied with season ANOVA, p \< 0.05. Interestingly, 333 and 334 ARG subtypes were observed at all the locations in pre-monsoon and post-monsoon, respectively. The taxa associated with the dominant ARGs and MRGs were Pseudomonas and Burkholderia, which are important nosocomial pathogens. A substantial phage diversity for pathogenic and putrefying bacteria at all locations attracts attention for its use to tackle the dissemination of antibiotic and metal-resistant bacteria. This study suggests the accumulation of antibiotics and metals as the driving force for the emergence of resistance genes and the affiliated bacteria trafficking them. The present metagenomic as-sessment highlights the need for comprehensive, long-term biological and physicochemical monitoring and mitigation strategies toward the contaminants associated with ARGs and MRGs in this nationally important river.

}, keywords = {Antibiotics (ARGs), Bacteriophages, Heavy metals (MRGs), Metagenomics, Microbiome, River Ganges}, issn = {0048-9697}, doi = {10.1016/j.scitotenv.2023.162125}, author = {Samson, Rachel and Rajput, Vinay and Yadav, Rakeshkumar and Shah, Manan and Dastager, Syed and Khairnar, Krishna and Dharne, Mahesh} } @article {48452, title = {Speed breeding opportunities and challenges for crop improvement}, journal = {Journal of Plant Growth Regulation}, volume = {42}, year = {2023}, month = {JAN}, pages = {46-59}, type = {Article}, abstract = {

Crop improvement in light of the rapidly changing climate and the increasing human population continues to be one of the primary concerns for researchers across the globe. The rate at which current crop improvement programs are progressing is essentially inadequate to meet the food demand. There is an urgent need for redesigning the crops for climate resilience and sustainable yield and nutrition. The rate of crop improvement is largely impeded owing to the long generation time taken by crop plants during the breeding process. As a solution in this direction, speed breeding is now being practiced at a large scale to reduce generation time to accommodate multiple generations of crops per year. To enhance the efficiency of breeding, researchers are now adopting an integrated approach where speed breeding is used along with modern plant breeding and genetic engineering technologies. In the present review, we have summarized the technological aspects, opportunities, and limitations associated with speed breeding. The application of speed breeding such as mapping population development, haplotype-based breeding, transgenic breeding, and genome-edited line advancement has also been discussed. Speed breeding is a promising technology that expedites the goals of food and industrial crop improvement by reducing the breeding cycles for establishing nutritional security and sustainable agriculture.

}, keywords = {Genome editing, Genomic selection, Haplotype breeding, Speed breeding, Transgenic breeding}, issn = {0721-7595}, doi = {10.1007/s00344-021-10551-8}, author = {Sharma, Shivani and Kumar, Amit and Dhakte, Priyanka and Raturi, Gaurav and Vishwakarma, Gautam and Barbadikar, Kalyani M. and Das, B. K. and Shivaraj, S. M. and Sonah, Humira and Deshmukh, Rupesh} } @article {48477, title = {Strategies and practical approaches for stable and high energy density sodium-ion battery: a step closer to commercialization}, journal = {Materials Today Sustainability}, volume = {22}, year = {2023}, month = {JUN}, pages = {100385}, type = {Article}, abstract = {

Sodium-ion batteries (SIBs) are reckoned as a potential alternative to Li-ion batteries (LIBs). Currently, the limited supply of precursors and the cost of LIBs have regenerated research and development interest in SIBs. Due to differences in the chemistry of lithium (Li) and sodium (Na), optimized methods for LIBs cannot be blindly applied to develop SIBs. Along with the judicial selection of electrode materials, electrolytes, and interfaces are very crucial for safe, high-power, and long-lasting batteries. The initial part of this review deals with the challenges faced in commercializing SIB full cells. Subsequently, the strategies to improve the energy density of SIB full cells through electrode modifications and electrolyte engineering are described in detail. This review comprehensively represents notable insights into the large-scale commercialization of potential sodium-ion batteries in the full cell.(c) 2023 Elsevier Ltd. All rights reserved.

}, keywords = {Cathode additives, Electrolyte additives, Na compensation, Self -sacri ficial salts, Sodium -ion battery}, issn = {2589-2347}, doi = {10.1016/j.mtsust.2023.100385}, author = {Yadav, P. and Patrike, A. and Wasnik, K. and Shelke, V. and Shelke, M.} } @article {48463, title = {Surface-induced demixing of self-assembled isomeric mixtures of citral}, journal = {Journal of Molecular Liquids}, volume = {381}, year = {2023}, month = {JUL }, pages = {121803}, type = {Article}, abstract = {

The self-assembly of organic molecules and their interactions with metal surfaces have been of considerable interest, both for developing novel functional materials and for understanding fundamental design principles of nanostructures. In this study, we investigate the solution and surface-induced self-assembly of two stereoisomers of citral molecules (geranial and neral) using atomistic molecular dynamics simulations. We demonstrate that the morphology of the aggregates in water is concentration dependent (ranging from distorted spherical to slab-like aggregates) but independent of isomer effects. The isomeric mixtures of citral indicate homogeneous mixing based on differential density maps and high values of Shannon entropy. Interestingly, surface-confinement of citral aggregates on a Cu(111) surface leads to phase segregation and demixing of the two isomers that is more apparent in the surface-bound monolayer in comparison to the adjacent layers. Positional ordering and formation of domains are observed over a series of isomeric citral mixtures with varying compositions, as indicated by high differential density and low values of Shannon entropy. Our work provides new insights into molecular self-assembly of organic molecules in nanostructures and metal-organic overlayers.(c) 2023 Elsevier B.V. All rights reserved.

}, keywords = {Citral, Isomers, Metal-organic interactions, molecular dynamics, Self-assembly, Shannon entropy}, issn = {0167-7322}, doi = {10.1016/j.molliq.2023.121803}, author = {Saraf, Deepashri and Prakash, Shikha and Pinjari, Aadil and Pujari, Bhalchandra and Sengupta, Durba} } @article {48826, title = {Synthesis, biological evaluation and docking studies of silicon incorporated diarylpyrroles as MmpL3 inhibitors: an effective strategy towards development of potent anti-tubercular agents}, journal = {European Journal of Medicinal Chemistry}, volume = {259}, year = {2023}, month = {NOV }, pages = {115633}, type = {Article}, abstract = {

Growing global demand for new molecules to treat tuberculosis has created an urgent need to develop novel strategies to combat the menace. BM212 related compounds were found to be potent anti-TB agents and they inhibit mycolic acid transporter, MmpL3, a known potent drug target from Mycobacterium tuberculosis. In order to enhance their inhibitory potency, several silicon analogues of diarylpyrroles related to BM212 were designed, synthesized, and evaluated for anti-tubercular activities. In Alamar blue assay, most of the silicon-incorporated compounds were found to be more potent than the parent compound (BM212), against Mycobacterium tuberculosis (MIC = 1.7 \& mu;M, H37Rv). Docking results from the crystal structure of MmpL3 and silicon analogues as pharmacophore model also strongly correlate with the biological assays and suggest that the incorporation of silicon in the inhibitor scaffold could enhance their potency by stabilizing the hydrophobic residues at the binding pocket. The best docking hit, compound 12 showed an MIC of 0.1 \& mu;M against H37Rv with an acceptable in vitro ADME profile and excellent selectivity index. Overall, the present study indicates that, the designed silicon analogues, especially compound 12 could be a good inhibitor for an intrinsically flexible drug-binding pocket of MmpL3 and has potential for further development as anti-tubercular agents.

}, keywords = {antibiotic, BM212, docking studies, MmpL3 inhibitor, Silicon analogue, tuberculosis}, issn = {0223-5234}, doi = {10.1016/j.ejmech.2023.115633}, author = {Vasudevan, N. and Motiwala, Zenia and Ramesh, Remya and Wagh, Sachin B. and Shingare, Rahul D. and Katte, Revansiddha and Anand, Amitesh and Choudhary, Sushil and Kumar, Ajay and Gokhale, Rajesh S. and Kulkarni, Kiran A. and Reddy, D. Srinivasa} } @article {48304, title = {Synthesis of 3 alkyl and 1,3-Bis(alkyl)indolizine amides from a-bromohydroxamates}, journal = {Tetrahedron Letters}, volume = {118}, year = {2023}, month = {MAR}, pages = {154386}, type = {Article}, abstract = {

A simple and catalyst-free method has been developed for the synthesis of hindered indolizine amide derivatives from functionalized alkyl bromides. The reaction of a variety of indolizine derivatives with azaoxyallyl cations generated in situ from a-bromoamides afforded a wide range of synthetically important mono- and di-alkylated indolizine amide derivatives in good to excellent yields.@2023 Elsevier Ltd. All rights reserved.

}, keywords = {a -Bromohydroxamates, Amides, HFIP, Indolizine}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2023.154386}, author = {Mane, Kishor D. and Bagwe, Sagar S. and More, Satish G. and Suryavanshi, Gurunath} } @article {48713, title = {Synthesis of N-functionalized 2,3-disubstituted benzofurans/naphthofurans from para-quinone methides and isocyanides via the [4+1] annulation pathway}, journal = {Organic Chemistry Frontiers}, volume = {10}, year = {2023}, month = {JUL}, pages = {3746-3751}, type = {Article}, abstract = {

A scandium triflate catalyzed [4 + 1] cycloaddition reaction of 2-hydroxy-substituted para-quinone methides and isocyanides has been developed. This operationally simple, efficient and practical protocol provides straightforward access to a variety of N-functionalized 2,3-disubstituted benzofuran/naphthofuran derivatives with broad functional group compatibility and good scalability.

}, issn = {2052-4129}, doi = {10.1039/d3qo00048f}, author = {Kale, Someshwar B. and Kumar, Manish and Shinde, Dinesh R. and Krishna, Gamidi Rama and Das, Utpal} } @article {48453, title = {Synthesis of N-oxyethylene substituted imidazolium-based zwitterions as a recyclable solvent for cellulose dissolution}, journal = {Cellulose}, volume = {30}, year = {2023}, month = {JAN}, pages = {87-109}, type = {Article}, abstract = {

Cellulose is a readily available, renewable, and natural biomaterial that has the potential to replace synthetic fibres. However, their processing to shaped materials such as fibre or film is still complex and restricted due to its insolubility in most conventional solvents. Herein, we present the synthesis and cellulose dissolution characteristics of a new class of recyclable zwitterions composed of tethered N-oxyethylene substituted imidazolium cation and alkyl carboxylate anion. Investigations on cellulose dissolution showed that increasing the alkyl chain length of carboxylate anion and introduction of oxyethylene unit on imidazolium ring led to better cellulose dissolution ability, and up to 12\% (w/w) cellulose could be dissolved in aqueous zwitterions at 105 degrees C. The thermal behavior of zwitterions and their cellulose solutions was characterized by TGA and found to be more stable than the NMMO and Lyocell solutions. Rheological characterization of cellulose solutions revealed viscoelastic behavior and zero shear viscosity of 6-12\% (w/w) cellulose solution in hexanoate containing aqueous zwitterion was 555 to 5900 Pa.s at 120 degrees C. The characteristics of cellulose solution indicate its potential for processing to cellulose fibre by extrusion through a tiny spinneret. Physico-chemical analysis of regenerated cellulose indicates that zwitterions cause no adverse effect on cellulose structure and morphology during dissolution. The zwitterions are recovered after the cellulose regeneration process, and the recovery was found to be 99.6\% after purification using the ion-exchange method.

}, keywords = {Carboxylate anion, Cellulose dissolution, Oxyethylene unit, Regenerated cellulose, Rheology, zwitterions}, issn = {0969-0239}, doi = {10.1007/s10570-022-04883-1}, author = {Jadhav, Sachin and Ganvir, Vivek and Singh, Madan Kumar and Shanmuganathan, Kadhiravan} } @article {48720, title = {Synthesis of Si(IV)- and Ge(II)-substituted amines, hydrazone, and hydrazine from hypersilyl germylene}, journal = {Organometallics}, volume = {42}, year = {2023}, month = {OCT}, pages = {2983-2990}, type = {Article}, abstract = {

This study investigates the reactivity of a hypersilyl germylene [PhC-(NtBu)(2)GeSi-(SiMe3)(3)] (1) with various organic compounds including azides, diazoalkanes, 1,2-diphenylhydrazine, and trifluoroacetophenone. The reactivity observed in these reactions is driven by the insertion of the organic fragment between a silicon and germanium bond. This leads to the formation of novel compounds, including an amine featuring three different substituents from three different elements of group 14. When reacting with Me3SiCHN2, we observed the insertion of the diazoalkane fragment in an end-on fashion into the Ge-Si bond. An analogous trend was observed in reactions with 1,2-diphenylhydrazine and trifluoroacetophenone, where the N-N and C-O fragments were inserted into the Ge-Si bond. Multinuclear NMR and single-crystal X-ray diffraction analyses were conducted to characterize the newly synthesized compounds.

}, issn = {0276-7333}, doi = {10.1021/acs.organomet.3c00318}, author = {Ajithkumar, V. S. and Ghanwat, Pratiksha B. and Raj, K. Vipin and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} } @article {48819, title = {Tale of two waves: Delineating diverse genomic and transmission landscapes driving the COVID-19 pandemic in Pune, India}, journal = {Journal of Infection and Public Health}, volume = {16}, year = {2023}, month = {AUG}, pages = {1290-1300}, type = {Article}, abstract = {

Background: Modern response to pandemics, critical for effective public health measures, is shaped by the availability and integration of diverse epidemiological outbreak data. Tracking variants of concern (VOC) is integral to understanding the evolution of SARS-CoV-2 in space and time, both at the local level and global context. This potentially generates actionable information when integrated with epidemiological outbreak data.Methods: A city-wide network of researchers, clinicians, and pathology diagnostic laboratories was formed for genome surveillance of COVID-19 in Pune, India. The genomic landscapes of 10,496 sequenced samples of SARS-CoV-2 driving peaks of infection in Pune between December-2020 to March-2022, were determined. As a modern response to the pandemic, a {\textquoteleft}{\textquoteleft}band of five{\textquoteright}{\textquoteright} outbreak data analytics approach was used. This integrated the genomic data (Band 1) of the virus through molecular phylogenetics with key outbreak data including sample collection dates and case numbers (Band 2), demographics like age and gender (Band 3-4), and geospatial mapping (Band 5).Results: The transmission dynamics of VOCs in 10,496 sequenced samples identified B.1.617.2 (Delta) and BA(x) (Omicron formerly known as B.1.1.529) variants as drivers of the second and third peaks of infection in Pune. Spike Protein mutational profiling during pre and post-Omicron VOCs indicated differential rank ordering of high-frequency mutations in specific domains that increased the charge and binding properties of the protein. Time-resolved phylogenetic analysis of Omicron sub-lineages identified a highly divergent BA.1 from Pune in addition to recombinant X lineages, XZ, XQ, and XM. Conclusions: The band of five outbreak data analytics approach, which integrates five different types of data, highlights the importance of a strong surveillance system with high-quality meta-data for understanding the spatiotemporal evolution of the SARS-CoV-2 genome in Pune. These findings have important implica-tions for pandemic preparedness and could be critical tools for understanding and responding to future outbreaks.\& COPY; 2023 Published by Elsevier Ltd on behalf of King Saud Bin Abdulaziz University for Health Sciences. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

}, keywords = {COVID-19, Delta, Omicron, SARS-CoV-2 genomic surveillance, Variant of concern, Whole Genome Sequencing (WGS)}, issn = {1876-0341}, doi = {10.1016/j.jiph.2023.06.004}, author = {Niveditha, Divya and Khan, Soumen and Khilari, Ajinkya and Nadkarni, Sanica and Bhalerao, Unnati and Kadam, Pradnya and Yadav, Ritu and Kanekar, Jugal B. and Shah, Nikita and Likhitkar, Bhagyashree and Sawant, Rutuja and Thakur, Shikha and Tupekar, Manisha and Nagar, Dhriti and Rao, Anjani G. and Jagtap, Rutuja and Jogi, Shraddha and Belekar, Madhuri and Pathak, Maitreyee and Shah, Priyanki and Ranade, Shatakshi and Phadke, Nikhil and Das, Rashmita and Joshi, Suvarna and Karyakarte, Rajesh and Ghose, Aurnab and Kadoo, Narendra and Shashidhara, L. S. and Monteiro, Joy Merwin and Shanmugam, Dhanasekaran and Raghunathan, Anu and Karmodiya, Krishanpal} } @article {48769, title = {Taming the parent oxoborane}, journal = {Chemical Science}, volume = {14}, year = {2023}, month = {JUN}, pages = {5894-5898}, type = {Article}, abstract = {

Despite recent advancements in the chemistry of multiply bound boron compounds, the laboratory isolation of the parent oxoborane moiety, HBO has long remained an unsolved and well-recognized challenge. The reaction of 6-SIDipp(.)BH3 [6-SIDipp = 1,3-di(2,6-diisopropylphenyl)tetrahydropyrimidine2-ylidene] with GaCl3 afforded an unusual boron-gallium 3c-2e compound (1). The addition of water to 1 resulted in the release of H-2 and the formation of a rare acid stabilized neutral parent oxoborane, LB(H)]O (2). Crystallographic and density functional theory (DFT) analyses support the presence of a terminal B=O double bond. Subsequent addition of another equivalent of water molecule led to hydrolysis of the B-H bond to the B-OH bond, but the {\textquoteleft}B=O{\textquoteright} moiety remained intact, resulting in the formation of the hydroxy oxoborane compound (3), which can be classified as a monomeric form of metaboric acid.

}, issn = {2041-6520}, doi = {10.1039/d3sc01544k}, author = {Kundu, Gargi and Amrutha, P. R. and Raj, K. Vipin and Tothadi, Srinu and Vanka, Kumar and Sen, Sakya S.} } @article {48454, title = {Template directed synthesis of boron carbon nitride nanotubes (BCN-NTs) and their evaluation for energy storage properties}, journal = {Advanced Materials Interfaces}, volume = {10}, year = {2023}, month = {JAN}, type = {Article}, abstract = {

A unique approach has been applied for the synthesis of 1D boron carbon nitride nanotubes (BCN-NTs) using MnO2 nanowires as templates. BCN-NTs have been evaluated in Na-ion batteries, Li-ion batteries, and supercapacitors as electrode material and exhibited excellent and stable electrochemical performance. BCN-NTs as an anode for Na-ion battery has been shown to be highly stable up to 3000 cycles with capacity retention of 95 mAh g(-1), at a high current density of 1 A g(-1). In the case of the Li-ion battery, these BCN-NTs show a specific capacity of 563 mAh g(-1) at a current density of 50 mA g(-1). Finally, when used as an electrode for a supercapacitor, BCN-NTs display a specific capacity of 221 F g(-1) at a current density of 3 A g(-1) and 168 F g(-1) even at a very high current density of 30 A g(-1) exemplifying the excellent rate performance. The multifunctionality and stable performance of BCN-NTs among various electrochemical energy storage systems highlight the robustness of the material and make it an excellent candidate for scalable production and commercialization.

}, keywords = {1D-nanostructure, boron carbon nitride nanotubes (BCN-NTs), Co-doping, Li-ion battery, Na-ion battery, Supercapacitors}, issn = {2196-7350}, doi = {10.1002/admi.202201560}, author = {Karbhal, Indrapal and Chaturvedi, Vikash and Yadav, Poonam and Patrike, Apurva and Shelke, Manjusha V.} } @article {48737, title = {Tetraalkylammonium-based dicationic ionic liquids (ILs) for CO2 capture}, journal = {New Journal of Chemistry}, volume = {47}, year = {2023}, month = {JUL }, pages = {12944-12954}, type = {Article}, abstract = {

This investigation includes the synthesis and characterization of a new series of ionic liquids (ILs) based on the tetraalkylammonium dication for the absorption of CO2, a step towards the development of more efficient and sustainable technologies. It was possible to synthesize amine-substituted PEG diacrylate by modifying poly(ethylene glycol) (PEG), which was then quaternized with 1-bromopentane to produce the IL PDBr. The other IL products, PDNTf2, PDBF4 and PDPF6, were synthesized via the metathesis of PDBr with the appropriate salt. The synthesized products were characterized using various techniques, such as FTIR, H-1 and C-13 NMR, elemental analysis, and density and viscosity meters, and evaluated as potential sorbents for CO2 capture. DSC and TGA were used to examine the thermal properties of the ILs. As observed from their thermal degradation behavior, the ILs exhibited two-stage disintegration with thermal stability up to 150 \& DEG;C. The pressure drop method was used to study the sorption capacity of the ILs towards CO2. The sorption investigation showed that when the pressure is increased, the CO2 absorption increases. Equilibrium is reached in 40 minutes, demonstrating a rapid absorption rate. The IL with the [BF4](-) anion (PDBF4) demonstrated a maximum sorption capacity of 0.577 mole fraction of CO2, and can be regenerated and reused efficiently with less than 0.5\% variation from its original absorption capacity. The CO2 absorption capacity for the ILs with other anions follows the trend: Br \& AP; NTf2 \< PF6 \< BF4. This work shows that tetraalkylammonium-based dicationic ILs are adaptable, making them a suitable material for many applications, including sustainable CO2 capture technology.

}, issn = {1144-0546}, doi = {10.1039/d3nj01552a}, author = {Kulkarni, Prashant S. and Ranjane, Prathamesh and Mishra, Karun and Sundararajan, Swati and Kamble, Sanjay} } @article {48809, title = {Theory-directed designing of an intrinsic-activity-modulated metal-doped copper oxide electrode for nitrate to ammonia synthesis}, journal = {ACS Applied Energy Materials}, volume = {6}, year = {2023}, month = {MAY}, pages = {6111-6119}, type = {Article}, abstract = {

Synthesis of ammonia via electrochemical reduction ofnitrate isone of the most sustainable routes both for environmental protectionas well as energy saving initiatives. However, this process is limitedto the development of high-performance free-standing catalytic electrodeswith improved selectivity and Faradaic efficiency. Herein, we reporttheory-guided designing and fabrication of free-standing non-noblemetal (Mn, Fe, and Co)-doped copper oxide (CuO) electrodes by usinga simple and scalable electrode preparation method. The density functionaltheory (DFT)-based calculations show that the doped-Co sites in theCu surface facilitate the generation and supply of H+ tothe adsorbed NO3 (-) during the reductionprocess; as a result, the Co-CuO catalyst displays higher selectivitytoward nitrate reduction. The Co-doped Cu electrode (Co-CuO)delivers a higher NH3 yield (5492 mu g cm(-2)) at a reduction potential of -0.91 V vs RHE while maintaininga Faradaic efficiency of \>95\%. The alloying of Co to the coppermetalnot only facilitates the proton donation to the adsorbed reactant(NO3 (-)) but also tunes the Cu d-center,resulting in the active site modulation responsible for the activationof catalysts.

}, keywords = {Active sites, ammonia synthesis, electrocatalysis, Faradaic efficiency, High selectivity, metal-doped electrode}, issn = {2574-0962}, doi = {10.1021/acsaem.3c00617}, author = {Tyagi, Nitin Kumar and Mahapatra, Bikash K. and Ghimire, Suvash and Manna, Narugopal and Kumar, Deepak and Kumar, Vijay and Mukhopadhyay, Kausik and Singh, Santosh K.} } @article {48758, title = {Thermally activated delayed fluorescent solvent-free organic liquid hybrids for tunable emission applications}, journal = {Chemistry-An Asian Journal}, volume = {18}, year = {2023}, month = {JUL }, type = {Article}, abstract = {

The synthetic feasibility and excellent luminescence features of organic molecules attracted much attention and were eventually found useful in lighting applications. In this context, a solvent-free organic liquid having attractive thermally activated delayed fluorescence features in bulk along with high processability has prime importance. Herein, we report a series of naphthalene monoimide-based solvent-free organic liquids exhibiting cyan to red thermally activated delayed fluorescence with luminescence quantum yields up to 80\% and lifetimes between 10 to 45 mu s. An effective approach explored energy transfer between liquid donors with various emitters exhibiting tunable emission colors, including white. The high processability of liquid emitters improved the compatibility with polylactic acid and was used for developing multicolor emissive objects using 3D printing. Our demonstration of the thermally activated delayed fluorescence liquid will be much appreciated as a processable alternate emissive material suitable for large-area lighting, display, and related applications.

}, keywords = {3D printing, Energy Transfer, OLED, Organic Liquids, TADF}, issn = {1861-4728}, doi = {10.1002/asia.202300276}, author = {Nidhankar, Aakash D. D. and Goudappagouda and Kothavade, Premkumar D. and Dongre, Sangram D. and Veer, Sairam Dnyaneshwar and Dash, Soumya Ranjan and Rajeev, Kavya and Unni, K. N. Narayanan and Shanmuganathan, Kadhiravan and Babu, Sukumaran Santhosh} } @article {48342, title = {Titanium trisulfide nanosheets and nanoribbons for field emission- based nanodevices}, journal = {ACS Applied Nano Materials}, volume = {6}, year = {2023}, month = {JAN}, pages = {44-49}, type = {Article}, abstract = {

The field emission (FE) properties of TiS3 nanosheets and nanoribbons, synthesized by direct sulfuration of bulk titanium, are investigated. The nanosheets show an enhanced FE behavior with a low turn-on field of similar to 0.3 V/ mu m, required for drawing an emission current density of similar to 10 mu A/cm2. Interestingly, the TiS3 nanosheet emitter delivered a large emission current density of similar to 0.9 mA/ cm2 at a relatively low applied electric field of similar to 0.4 V/mu m. We have estimated the values of the field enhancement factor (beta), which are found to be similar to 5 x 104 for the TiS3 nanosheet emitter and similar to 4 x 103 for the nanoribbon emitter. We attribute the superior FE performance to the presence of atomically sharp edges and the reduced thickness of TiS3, as reflected in the high value of beta. In fact, the nanosheet sample presents a higher density of ultrathin layers (similar to 12 nm-thick), and thus, they have a larger edge to volume ratio than the nanoribbon samples (which are similar to 19 nm-thick). The superior FE behavior of TiS3 nanosheets over nanoribbons makes them a propitious field emitter and can be utilized for various FE-based applications, demanding large emission currents and lower operational voltages. Moreover, the FE current stability recorded on these samples confirms their promising performance. Thus, the present investigation brings out a great promise of TiS3 nanosheets and nanoribbons as field emitters for vacuum nanoelectronics devices.

}, keywords = {Current stability, field emission, nanoribbon, nanosheets, TiS3}, doi = {10.1021/acsanm.2c03460}, author = {Pawbake, Amit S. and Khare, Ruchita T. and Island, Joshua O. and Flores, Eduardo and Ares, Jose R. and Sanchez, Carlos and Ferrer, Isabel J. and Pawar, Mahendra and Frank, Otakar and More, Mahendra A. and van der Zant, Herre S. J. and Castellanos-Gomez, Andres and Late, Dattatray J.} } @article {48773, title = {Topological phases in nanoparticle monolayers: can crystalline, hexatic, and isotropic-fluid phases coexist in the same monolayer?}, journal = {Soft Matter}, volume = {19}, year = {2023}, month = {OCT }, pages = {7271-7280}, type = {Article}, abstract = {

Topological phases are stable configurations of matter in 2-dimensions (2D) formed via spontaneous symmetry breaking. These play a crucial role in determining the system properties. Though a number of fundamental studies on topological phase transitions and topological defect dynamics have been conducted with model colloidal systems (typically microns in size), the same is lacking on nanoparticle monolayers (NPMLs, typically made of ligand-coated sub-ten nanometer particles). Here, we show that in an evaporation-driven self-assembly process, the three topological phases, namely crystalline, hexatic, and isotropic-fluid phases, can coexist within the same NPML. We associate this coexistence with the local variation in particle size, which can be described by a unique frequency parameter (p(25)), quantifying the fraction of NPs that has size deviation greater than or equal to 25\% of the mean size (where the deviation,f is defined as f = ((|Size-mean|)/mean)). The p(25)-values for the three phases are distinctly different: crystalline arrangement occurs when p(25) \< similar to 0.02, while a hexatic phase exists for 0.02 \<= p(25) \<= 0.1. For p(25) Z 0.1, the isotropic-fluid phase occurs. Following KTHNY-theory, we further numerically extrapolate the occurrence of each phase to the accumulated excess planar strain in the NPML due to the presence of various topological defects in the structures.

}, issn = {1744-683X}, doi = {10.1039/d3sm00290j}, author = {Bhattacharjee, Kaustav and Vaidya, Salil S. and Pathak, Tushar and Shimpi, Jayesh R. and Prasad, Bhagavatula L. V.} } @article {48788, title = {Total and diverted total synthesis of pyrrolo-quinazolinone alkaloids and their analogues}, journal = {ChemistrySelect}, volume = {8}, year = {2023}, month = {SEP }, pages = {e202301818}, type = {Article}, abstract = {

A short and expeditious total and diverted total synthesis of luotonin, vasicinone, and their analogues has been achieved from the key tricyclic quinazolinone intermediate which was accessed from simple substituted anthranilamide obtained from the coupling of \& beta;-alanate with isatoic anhydride followed by Dieckmann condensation chemistry of the resulting diester. The tricyclic ketone exhibited interesting chemical properties, e. g. keto-enol tautomerism. Friedlander condensation and Fischer-Indolization were employed for further annulations to access polycyclic alkaloids and their analogues. A short and expeditious total and diverted total synthesis of Luotonin, Vasicinone, and their analogues has been achieved from the key tricyclic quinazolinone ketone that was accessed via Dieckmann condensation chemistry of the diester which was in turn obtained from the isatoic anhydride followed by cyclodehydration. The keto-enol tautomerism of the tricyclic ketone has been studied through 1H NMR. Friedlander condensation and Fischer-Indolization were employed for further annulations on to the tricyclic ketone to yield luotonins and nor-rutaecarpines in good yields.image

}, keywords = {Luotonin, Quinazolinone, Rutaecarpine, Total synthesis, Vasicinone}, issn = {2365-6549}, doi = {10.1002/slct.202301818}, author = {Rasapalli, Sivappa and Huang, Yanchang and Sammeta, Vamshikrishna Reddy and Alshehry, Reem and Anver, Fazmina and Shivasankar, Krishnamoorthy and Chavan, Subash P.} } @article {48668, title = {Total synthesis, structure elucidation and expanded bioactivity of icosalide A: effect of lipophilicity and ester to amide substitution on its bioactivity}, journal = {Organic \& Biomolecular Chemistry}, volume = {21}, year = {2023}, month = {JUL}, pages = {5725-5731}, type = {Article}, abstract = {

The first total synthesis of icosalide A, an antibacterial depsipeptide that is unique in that it contains two lipophilic beta-hydroxy acids, has been achieved by following Fmoc solid-phase peptide synthesis in combination with solution-phase synthesis. The ambiguity in the absolute stereochemistry of icosalide A has been resolved by synthesizing the reported structures and other relevant diastereomers of icosalides and comparing their NMR data. NMR-based structure elucidation of icosalide A revealed a well-folded structure with cross-strand hydrogen bonds similar to the anti-parallel beta-sheet conformation in peptides and displayed a synergistic juxtaposition of the aliphatic sidechains. 12 analogues of icosalide A were synthesized by varying the constituent lipophilic beta-hydroxy acid residues, and their biological activities against Bacillus thuringiensis and Paenibacillus dendritiformis were explored. Most of these icosalide analogues showed an MIC of 12.5 \& mu;g mL(-1) against both bacteria. Swarming inhibition by icosalides was least in B. thuringiensis (8.3\%) compared to that in P. dendritiformis (33\%). Furthermore, this is the first report of icosalides showing assured inhibitory action (MIC between 2 and 10 \& mu;g mL(-1)) against the active stage of Mycobacterium tuberculosis and cancer cell lines such as HeLa and ThP1. This study could help optimize icosalides for anti-TB, antibacterial, and anti-cancer activities.

}, issn = {1477-0520}, doi = {10.1039/d3ob00809f}, author = {Dangi, Abha and Pande, Bharat and Agrawal, Sonia and Sarkar, Dhiman and Vamkudoth, Koteswara Rao and Marelli, Udaya Kiran} } @article {48806, title = {Transient response to perturbations in flow synthesis of citrate capped gold nanoparticles}, journal = {Biochemical Engineering Journal}, volume = {470}, year = {2023}, month = {AUG}, pages = {143890}, type = {Article}, abstract = {

This work reports the transient behavior of continuous flow synthesis of gold nanoparticles (Au NPs) when subjected to perturbations in operating conditions using controlled experiments. The intricacies are captured through a detailed mathematical model. Reversed Turkevich protocol was used for synthesis of Au NPs. The synthesis was first studied in batch mode to investigate the reaction kinetics and reproducibility of the process. The optimal set of operating conditions viz., residence time, flow rate, temperature was then used for flow synthesis in a 2 m, 1/16 \& DPRIME;Polytetrafluoroethylene (PTFE) reactor with micromixer. Reactor clogging was avoided by using segmented flow. Inline UV measurement was used for real time monitoring of the process. Transient experiments were performed by abruptly changing the operating conditions. A mathematical model was found to be accurate in predicting the transient behavior of the exit precursor concentration and the particle size for unsteady state synthesis. Even a small change in process variables for short duration was found to disturb the quality of Au NPs for a significantly longer duration. Of the three operating parameters, the effect of temperature variation was seen to have a prolonged effect where the system remained in unsteady state for long time.

}, keywords = {continuous flow synthesis, gold nanoparticles, Particle size, segmented flow, Unsteady behavior}, issn = {1385-8947}, doi = {10.1016/j.cej.2023.143890}, author = {Bari, Atul H. and Shukla, Neerja and Gavriilidis, Asterios and Kulkarni, Amol A.} } @article {48706, title = {Understanding the nucleation and growth kinetics of the microwave-assisted synthesis of silver nanowires}, journal = {Industrial \& Engineering Chemistry Research}, volume = {62}, year = {2023}, month = {SEP }, pages = {14199-14211}, type = {Article}, abstract = {

Here, we present a detailed study of understanding the nucleation and growth kinetics of silver nanowire synthesis under microwave irradiation. The approach includes studying the effect of various parameters (viz., microwave power, reaction temperature, reaction time, substrate concentration, etc.) on the rate of nucleation and growth, as well as on the yield and morphology of silver nanowires. It is found that microwave power is the most important factor in leading to almost complete conversion of the substrate along with high aspect ratio nanowires in a short reaction time. Based on the observations, here, we have proposed a three-step growth kinetics mechanism for the synthesis of silver nanowires under the influence of microwaves. The approach comprises the autocatalytic growth of stable multiple twin particles after the nucleation process and their unidirectional growth to form nanowires. The FW autocatalytic model and the JMAK Avrami model were used to validate the proposed mechanism of AgNW formation based on our experimental results. The model predictions match very well with the conversion and yield of AgNWs. At the optimized conditions, wires with a 42 nm diameter and 94\% yield were achieved within 4 min.

}, issn = {0888-5885}, doi = {10.1021/acs.iecr.3c00322}, author = {Sonawane, Jayesh R. and Patil, Suneha and Kulkarni, Amol A.} } @article {48456, title = {Understanding the thermal stability of a 3d, 4d, and 5d element doped aluminium nanocluster through BOMD simulations}, journal = {Molecular Simulation}, volume = {49}, year = {2023}, month = {FEB}, pages = {245-250}, type = {Article}, abstract = {

Endohedrally doped atomic clusters have generated considerable interest among computational chemists on account of their tunable chemical properties that mimic a super atom. Such endohedrally doped clusters have also been experimentally realised in the more recent past. The present work explores the practical existence of 3d, 4d and 5d doped aluminium clusters, more specifically doped Al13 cluster, by evaluating systematically their structural stability through the first principle molecular dynamical simulations. Born-Oppenheimer Molecular Dynamics (BOMD) simulations have been carried out on Al12X atomic clusters where X = Ti, V, Fe, Co, Ni, Cu, Zn, Y, Mo, Ru, Rh and W are in endohedral position. The thermal stability of such endohedrally doped clusters is quantified through parameters such as delta(rms), MSD and is an element of(pro). Electronic structure calculations reveal that endohedral doping of only Rh, Cu and Zn is preferred in the Al-13 cluster. Other dopants prefer to remain on the surface positions. However, finite temperature calculations reveal that the Al12Zn cluster undergoes surface modifications from 300K leading to a distorted icosahedral structure. Al12Cu cluster in quartet spin state is the only thermally stable cluster with Cu remaining in the endohedral position and structure retaining icosahedral confirmation till 700K.

}, keywords = {Al-13 atomic cluster, BOMD simulations, DFT, Endohedral doping, super atom}, issn = {0892-7022}, doi = {10.1080/08927022.2022.2153151}, author = {Samudre, Nikhil S. and Singh, Chandrodai Pratap and Krishnamurty, Sailaja} } @article {48798, title = {Unlocking the potential of proton conductivity in guanidinium-based ionic covalent organic nanosheets (iCONs) through pore interior functionalization}, journal = {Applied Materials Today}, volume = {33}, year = {2023}, month = {AUG}, pages = {101866}, type = {Article}, abstract = {

Recently, scientists have been exploring the incorporation of proton carriers such as water and phosphoric acid (PA) into the pores and channels of porous materials to enhance proton conduction performance. Ionic covalent organic nanosheets (iCONs) have been identified as promising functional materials due to their inbuilt ionic interfaces, which can facilitate strong interaction with counter ions present inside the pore structure and thus shorten ion transport pathways. However, there is a lack of research related to proton conductivity in iCONs loaded with PA. To address this, we prepared three functionalized guanidinium-based iCONs using a solvothermal condensation reaction between guanidinium amine (TG) and functionalized terephthaldehyde (Da, Dha, and Dma). PA was also incorporated into the iCON structure via ex situ loading to observe its effects on proton conduction performance. The results showed that both the iCONs and PA-iCONs were highly stable in water, organic solvents, acidic and basic media. Amongst these PA-iCONs, one with hydroxyl-functionalization (PA-DhaTG) displayed high proton conductivity at 90 degrees C and 95\% relative humidity due to a Grotthuss mechanism for protons. These functionalized guanidinium-based iCONs could prove useful for applications in energy conversion devices.

}, keywords = {chemical stability, Functionalized pore interior, Guanidinium group, ionic covalent organic nanosheets, proton conductivity}, issn = {2352-9407}, doi = {10.1016/j.apmt.2023.101866}, author = {Kumar, Sushil and Hu, Jiahui and Pandikassala, Ajmal and Kurungot, Sreekumar and Addicoat, Matthew A. and Szekely, Gyorgy} } @article {48746, title = {Visible-light-active unsymmetrical squaraine dyes with 1 V of open-circuit voltage for dye-sensitized solar cells}, journal = {ChemPhotoChem}, volume = {7}, year = {2023}, month = {MAY}, type = {Article}, abstract = {

A series of alkyl-group-functionalized, aniline- and indoline-donor-based, unsymmetrical visible-light-active squaraine dyes, AM1-3, were designed and synthesized. Dye-sensitized solar cell (DSSC) devices were fabricated with both I-/I-3(-) and [Cu(tmby)(2)](+/2+) electrolytes. DSSC devices sensitized with the AM1 and AM2 dyes showed relatively high-power conversion efficiency of 7.44 \% and 7.22 \%, respectively with I-/I-3(-) in the absence of chenodeoxycholic acid (CDCA) than those of the AM3 dye (5.41 \%). The [Cu(tmby)(2)](+/2+) electrolyte along with poly(3,4-ethylenedioxythiophene) (PEDOT) as cathode material showed excellent open-circuit potentials (V-OC) of 1030, 1025, and 1001 mV with the DSSC efficiency of 8.05 \%, 7.96 \%, and 5.84 \%, respectively, for the AM1, AM2, and AM3 dyes in the absence of CDCA. Here, the AM1 dye exhibited the maximum DSSC efficiency of 8.05 \% and V-OC of 1030 mV, which is the highest obtained efficiency and V-OC for the visible-light active zwitterionic unsymmetrical-squaraine dye with copper-based electrolyte.

}, keywords = {Cu electrolytes, dihedral angle, Dye-sensitized solar cells, open circuit voltage, squaraine dyes}, issn = {2367-0932}, doi = {10.1002/cptc.202200328}, author = {Singh, Amrita and Kumar Singh, Ambarish and Dixit, Ruchi and Vanka, Kumar and Krishnamoorthy, Kothandam and Nithyanandhan, Jayaraj} } @article {48673, title = {Wavelet coherence phase analysis decodes the universal switching mechanism of Ras GTPase superfamily}, journal = {iScience}, volume = {26}, year = {2023}, month = {JUL}, pages = {107031}, type = {Article}, abstract = {

The Ras superfamily of GTPases regulate critical cellular processes by shuttling between GTP-bound ON and GDP-bound OFF states. This switching mechanism is attributed to the conformational changes in two loops, SWI and SWII, upon GTP binding and hydrolysis. Since these conformational changes vary across the Ras superfamily, there is no generic parameter to define their functional states. A unique wavelet coherence (WC) analysis-based approach developed here shows that the structural changes in switch regions could be mapped onto the wavelet coherence phase couplings (WPCs). Thus, WPCs could serve as unique parameters to define their functional states. Disentanglement of WPCs in oncogenic GTPases shows how breakdown of structural allostery leads to their aberrant function. These observations stand out even for simulated ensemble of switch region conformers. Overall, for the first time, we show that WPCs could unravel the latent structural deviations in Ras proteins to decode their universal switching mechanism.

}, doi = {10.1016/j.isci.2023.107031}, author = {Motiwala, Zenia and Sandholu, Anand S. and Sengupta, Durba and Kulkarni, Kiran} } @article {48331, title = {Whole genome sequencing and comparative genomics of Indian isolates of wheat spot blotch pathogen bipolaris sorokiniana reveals expansion of pathogenicity gene clusters}, journal = {Pathogens}, volume = {12}, year = {2023}, month = {JAN}, pages = {1}, type = {Article}, abstract = {

Spot blotch is a highly destructive disease in wheat caused by the fungal pathogen Bipolaris sorokiniana (teleomorph, Cochliobolus sativus). It is prevalent in warm and humid areas, including Africa, Asia, Latin America, and the USA. In the present study, twelve isolates of B. sorokiniana were collected from wheat fields in three different geographical locations in India. The pathogenicity of seven sporulating isolates was assessed on {\textquoteleft}DDK 1025{\textquoteright}, a spot blotch-susceptible wheat variety under greenhouse conditions. The isolate {\textquoteleft}D2{\textquoteright} illustrated the highest virulence, followed by {\textquoteleft}SI{\textquoteright} and {\textquoteleft}BS52{\textquoteright}. These three isolates were sequenced using the Illumina HiSeq1000 platform. The estimated genome sizes of the isolates BS52, D2, and SI were 35.19 MB, 39.32 MB, and 32.76 MB, with GC contents of 48.48\%, 50.43\%, and 49.42\%, respectively. The numbers of pathogenicity genes identified in BS52, D2, and SI isolates were 2015, 2476, and 2018, respectively. Notably, the isolate D2 exhibited a relatively larger genome with expanded arsenals of Biosynthetic Gene Clusters (BGCs), CAZymes, secretome, and pathogenicity genes, which could have contributed to its higher virulence among the tested isolates. This study provides the first comparative genome analysis of the Indian isolates of B. sorokiniana using whole genome sequencing.

}, keywords = {Bipolaris sorokiniana, CAZyme, comparative genomics, spot blotch, whole genome sequencing}, doi = {10.3390/pathogens12010001}, author = {Yadav, Sagar and Raazi, Zarrine and Shivaraj, Sheelavanta Matha and Somani, Deepika and Prashant, Ramya and Kulkarni, Abhijeet and Kumar, Rajeev and Biradar, Suma and Desai, Shreenivas and Kadoo, Narendra} } @article {48690, title = {Zwitterionic disilanylium from an unsymmetrical disilene}, journal = {Chemical Communications}, volume = {59}, year = {2023}, month = {FEB }, pages = {1669-1672}, type = {Article}, abstract = {

The reaction of PhC(NtBu)2SiSi(SiMe3)(3) (1) with Me3SiCH(2)Cl afforded an unsymmetrical sp(2)-sp(3) disilene, 2, with concomitant elimination of Me3SiCl. The analogous reaction with PhC(NtBu)2SiCl resulted in the oxidative addition of the C-Cl bond at the Si(II) atom (3). The reactions of 2 with sulfur and selenium led to compounds with Si=E (E=S (4) and Se (5)) double bonds. Tellurium reacted differently with 2 and furnished a zwitterionic compound, 6.

}, issn = {1359-7345}, doi = {10.1039/d2cc06954g}, author = {Bisai, Milan Kumar and Ajithkumar, V. S. and Raj, K. Vipin and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.} }