@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:000229103900015, title = {Nanostructured tin oxide: synthesis and gas-sensing properties}, journal = {Materials Chemistry and Physics}, volume = {92}, number = {2-3}, year = {2005}, month = {AUG}, pages = {384-388}, publisher = {ELSEVIER SCIENCE SA}, type = {Article}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Pure and Ru-doped nanostructured SnO2 sensing materials were synthesized using a modified Pechini route. Incorporation of Ru in SnO2 results in the reduction of particle size (8.3 nm) compared with that of the pure SnO2 (28.2 nm). Moreover, the sensor exhibited a reasonably good sensitivity towards both H-2 and liquified petroleum gas (LPG). The effect of Ru incorporation, operating temperature, and gas concentration on the structure, morphology, and sensitivity is discussed using the results of X-ray diffraction (XRD), and scanning electron microscopy (SEM) along with sensing performance. {\textcopyright} 2005 Elsevier B.V. All rights reserved.

}, keywords = {hydrogen and hydrocarbon sensor, Nanostructure, ruthenium, tin oxide}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2005.01.050}, author = {Niranjan, R. S. and Hwang, Young Kyu and Kim, D. K. and Jhung, S. H. and Chang, J. S. and Mulla, Imtiaz S.} } @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:000227577600006, title = {New approach to the synthesis of bromochloromethane as a biocide intermediate}, journal = {Journal of the Society of Leather Technologists and Chemists}, volume = {89}, number = {1}, year = {2005}, month = {JAN}, pages = {34-35}, publisher = {SOC LEATHER TECHNOL CHEMISTS}, address = {38 ROSEHOLME RD, NORTHAMPTON NN1 4TQ, NORTHANTS, ENGLAND}, abstract = {

Preservatives are essential in the leather industry in particular to protect wet tanned and crust leather against mould damage. Preservative selection is made on the basis of ecological and toxicological aspects, statutory requirements, official regulations and their effectiveness and cost. Until legislation restricted the use of pentachlorophenol (PCP), phenolics were the predominant wet blue fungicides, but afterwards Busan 30L (Buckman Laboratories) was widely adopted in the industry. The active ingredient of Busan 30L is 2-(thiocyanomethyl)-thiobenzothiazole (TCMTB). This paper reports the synthesis of bromochloromethane (BCM) which is an important intermediate for the synthesis of TCMTB. The process which we have developed is simple and offers cleaner, low-waste technology for the synthesis of BCM using non-toxic and non-hazardous raw materials. The BCM was characterized by conventional methods, IR, (HNMR)-H-1 and mass spectra data.

}, issn = {0144-0322}, author = {Muthusubramanian, L. and Mitra, Raiat B.} } @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:000226669000004, title = {New bis-andrographolide ether from androgphis paniculata nees and evaluation of anti-HIV activity}, journal = {Natural Product Research}, volume = {19}, number = {3}, year = {2005}, month = {APR}, pages = {223-230}, publisher = {TAYLOR \& FRANCIS LTD}, type = {Article}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

Novel bis-andrographolide ether (1) and six known compounds andrographolide, 14-deoxy-11,12-didehydroandrographolide, andrograpanin, 14-deoxyandrographolide, (+/-)-5- hydroxy-7,8-dimethoxyflavanone, and 5-hydroxy-7,8-dimethoxyflavone have been isolated from the aerial parts of Andrographis paniculota and their structures were established by spectral data. All the isolates were tested for the anti-HIV and cytotoxic activity.

}, keywords = {Acanthaceae, Andrographis paniculata, anti-HIV, bis-andrographolide ether, Cytotoxic activity}, issn = {1478-6419}, doi = {10.1080/14786410410001709197}, author = {Reddy, V. L. N. and Reddy, S. M. and Ravikanth, V. and Krishnaiah, P. and Goud, T. V. and Rao, T. P. and Ram, T. S. and Gonnade, Rajesh G. and Bhadbhade, Mohan M. and Venkateswarlu, Y} } @article { ISI:000227531600007, title = {New electro-active paper actuator using conducting polypyrrole: actuation behaviour in LiClO(4) acetonitrile solution}, journal = {Synthetic Metals}, volume = {149}, number = {1}, year = {2005}, month = {FEB}, pages = {53-58}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

The construction of electromechanical actuator has been achieved by using the conducting polypyrrole films deposition onto a gold-coated cellophane paper. This is probably the first report of this type of paper actuator. The conducting polypyrrole was electro-generated using either galvanostatic or potentiostatic conditions at 0.5 mA/cm(2) current density or 0.7 V applied potential, respectively. The two types of actuators were constructed, namely: (1) Ppy/cellophane bi-layer; (2) Ppy/cellophane paper/Ppy tri-layer. These actuators showed a reversible and reproducible displacement in acetonitrile solution containing LiClO(4) (I M). The maximum displacement of 9.1 mm was recorded for tri-layer device and 3.5 mm for bi-layer device in 1 M LiClO(4) acetonitrile solutions. The results obtained in acetonitrile solution containing 1 M LiClO(4) shows that the actuator requires very low excitation voltage of 0.2 MV m(-1). The mechanism for this paper actuation phenomenon is addressed in this paper. (C) 2004 Elsevier B.V. All rights reserved.

}, keywords = {CP-EAPap actuators, electro-active paper actuator (EAPap), large displacement actuators, lightweight actuators, Ppy/cellophane paper bi-layer, Ppy/cellophane paper/Ppy tri-layer}, issn = {0379-6779}, doi = {10.1016/j.synthmet.2004.11.001}, author = {Deshpande, S. D. and Kim, Jaehwan and Yun, S. R.} } @article { ISI:000229156500009, title = {New method for the preparation of 1,2-benzisoxazole-3-carboxaldehyde}, journal = {Journal of Chemical Research}, number = {2}, year = {2005}, month = {FEB}, pages = {99-100}, publisher = {SCIENCE REVIEWS LTD}, type = {Article}, address = {PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND}, abstract = {

Synthesis of 1,2-benzisoxazole-3-carboxaldehyde is achieved from 3-methyl 1,2-benzisoxazole via 3-ethoxymethyl-1,2-benzisoxazole (4).

}, keywords = {1, 2-benzisoxazoles, benzylic bromination, indoxazenes}, issn = {0308-2342}, author = {Kalkote, Uttam R. and Panchgalle, S. R. and Mahakal, K. K. and Choudhary, S. M. and Chavan, Sayalee R.} } @article { ISI:000233685400032, title = {New route for the synthesis of propylene glycols via hydroformylation of vinyl acetate}, journal = {Industrial \& Engineering Chemistry Research}, volume = {44}, number = {25}, year = {2005}, note = {Joint 5th International Symposium on Catalysis in Multiphase Reactors/4th International Symposium on Multifunctional Reactors, Portoroz-Portorose, SLOVENIA, JUN 15-18, 2005}, month = {DEC}, pages = {9601-9608}, publisher = {Amer Chemical Soc, 1155 16th ST, NW, Washington, DC 20036 USA}, type = {Article, Proceedings Paper}, address = {Portoroz-Portorose, Slovenia}, abstract = {

Hydroformylation of vinyl acetate (VAM) has been studied as a key step in the alternative route for the synthesis of 1,2-propanediol (1,2-PDO) and 1,3-propanedol (1,3-PDO) using homogeneous rhodium (Rh) and cobalt (Co) complex catalysts. The feasibility of the VAM hydroformylation route has been demonstrated, and a detailed study has been reported on the key hydroformylation step using homogeneous Rh and Co catalysts. The roles of the catalyst precursors, ligands, and solvents in the activity and regioselectivity of the aldehyde products, i.e., 2-acetoxy propanal (2-ACPAL) and 3-acetoxy propanal (3-ACPAL), and the effect of reaction conditions have been investigated. With Rh-phosphine catalysts, 2-ACPAL is obtained with a selectivity of \> 90\%, while with cobalt carbonyl catalyst, 2-ACPAL and 3-ACPAL are formed with comparable selectivities (similar to 50\% each) thus substantially improving the selectivity of the linear aldehyde, a precursor for 1,3-PDO. In halogenated solvents with cobalt carbonyl catalyst, the selectivity to 3-ACPAL was found to increase still further (58\%). A possible mechanism to explain the variation in regioselectivity for the Rh anal Co catalysts has been discussed. In the presence of pyridine as a ligand in the Co-catalyzed hydroformylation of VAM, the rate of reaction was found to be enhanced 4-fold. The hydrogenation of acetoxypropanal isomers using Raney-Ni catalyst followed by hydrolysis using Amberlite IR-120 resin catalyst gave quantitative conversion to the mixture of 1,2- and 1,3-PDOs (\> 90\% yield).

}, issn = {0888-5885}, doi = {10.1021/ie050272g}, author = {Borole, Yogesh L. and Chaudhari, Raghunath V.} } @article { ISI:000230866000007, title = {New synthetic approach to a [1.1.6] metapara cyclophane derivative via Suzuki-Miyaura cross-coupling and ring-closing metathesis}, journal = {Advanced Synthesis \& Catalysis}, volume = {347}, number = {9}, year = {2005}, month = {JUL}, pages = {1215-1218}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

The synthesis of a [1.1.6] metapara cyclophane derivative, 1,5(1,4),3(1,3)-tribenzenacycloun-decaphan-8-ene-6,11-dione, has been achieved via the Suzuki-Miyaura cross-coupling of alpha,alpha{\textquoteright}-dibromo-m-xylene with an arylboronic acid derivative followed by an allylation and ring-closing metathesis reaction sequence.

}, keywords = {Cyclophanes, olefin metathesis, Palladium, ruthenium, Suzuki-Miyaura cross-coupling}, issn = {1615-4150}, doi = {10.1002/adsc.200404373}, author = {Kotha, S and Mandal, K and Arora, KK and Pedireddi, R} } @article { ISI:000230023600008, title = {Niobium(V) chloride catalyzed microwave assisted synthesis of 2,3-unsaturated O-glycosides by the Ferrier reaction}, journal = {Tetrahedron Letters}, volume = {46}, number = {27}, year = {2005}, month = {JUL}, pages = {4555-4558}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

NbCk catalyzes the Ferrier reaction of per-O-acetylated glycals with primary, secondary, altylic, benzylic and monosaccharide alcohols to give 2,3-unsaturated alpha-glycosides in short reaction times under microwave irradiation conditions. (c) 2005 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.05.015}, author = {Hotha, Srinivas and Tripathi, A.} } @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:000230075800013, title = {Noncovalent and nonspecific molecular interactions of polymers with multiwalled carbon nanotubes}, journal = {Chemistry of Materials}, volume = {17}, number = {13}, year = {2005}, month = {JUN}, pages = {3389-3397}, publisher = {AMER CHEMICAL SOC}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Polymer composites containing variable amounts of multiwalled carbon nanotubes (MWNTs) have been prepared using solution dispersion and melt-shear mixing. Various polymer composites with 1 wt \% MWNTs have been found to dissolve homogeneously in organic solvents. The amount of polymer coated or wrapped MWNTs dissolved in the solution was quantified using UV-vis absorbance at 500 nm and the concentration ratio of [MWNTs](solution)/[MWNTs](composite) was close to 1. A nonspecific polymer adsorption through multiple-weak molecular interactions of CH groups with MWNTs in the composites has been identified through FTIR spectroscopy. The composites of polybutadiene with different wt \% of MWNTs showed slight changes in the CH bending vibrations, indicating the presence of intermolecular CH-pi interactions. The dissolution of various polymer composites containing low concentration of MWNTs in organic solvents was attributed to polymer coating on the MWNTs via noncovalent and nonspecific CH-pi interactions. The dissolution of MWNTs in organic solvents using common polymers used in this study indicates that the coating or wrapping is a general phenomenon occurring between polymers and carbon nanotubes.

}, issn = {0897-4756}, doi = {10.1021/cm047866e}, author = {Baskaran, Durairaj and Mays, Jimmy W. and Bratcher, Matthew S.} } @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:000232815200010, title = {Novel enzymatic route for kinetic resolution of (+/-)1,4-benzodioxan-2-carboxylic acid}, journal = {Biochemical Engineering Journal}, volume = {27}, number = {1}, year = {2005}, month = {DEC}, pages = {66-71}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {Ethyl 1,4-benzodioxan-2-carboxylate is used as an intermediate compound for the production of drug doxazosin mesylate. The title compound was kinetically resolved to get S-enantiomer of ethyl 1,4-benzodioxan 2-carboxylate in a simple lipase catalyzed transesterificafion reaction. Ethyl acetate was used as reaction medium as well as acyl donor. The influence of the enzyme source and time of reaction on the enantio selectivity of product were studied. Lipase from Candida antartica-B (Novozyme A/S) catalyzed transesterification reaction with good enantio selectivity towards S-enantiomer. The high enantiomeric ratio, E= 160, provided S-2 an acceptable chemical yield (50\%) and enaritiomeric excess (>95\%). (c) 2005 Elsevier B.V. All rights reserved.}, keywords = {1, 4-benzodioxan-2-carboxylate, 4-benzodioxan-2-carboxylic acid, doxazosin, enantio selectivity, enantiomeric ratio, ethyl 1, ethyl acetate, Lipases, transesterfication}, issn = {1369-703X}, doi = {10.1016/j.bej.2005.06.014}, author = {Kasture, Sangita M. and Varma, R and Kalkote, Uttam R. and Nene, S and Kulkarni, Bhaskar 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:000227932000012, title = {Novel supramolecular assembly of 3,5-dinitro-4-methylbenzoic acid and trans-1,2-bis(4-pyridyl)ethene}, journal = {Tetrahedron Letters}, volume = {46}, number = {14}, year = {2005}, month = {APR}, pages = {2411-2415}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A novel organic assembly, formed between 3,5-dinitro-4-methylbenzoic acid and trans-1,2-bis(4-pyridyl)ethene under hydrothermal conditions in the presence of Pr(III) and a layered structure obtained by direct co-crystallization of the reactants at ambient conditions is reported. The structures of the complexes were established, unambiguously, by single crystal X-ray diffraction methods. (c) 2005 Elsevier Ltd. All rights reserved.

}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2005.02.070}, author = {Varughese, S and Pedireddi, VR} } @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: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:000241203400011, title = {Nanocomposites of polypropylene impact copolymer and organoclays: role of compatibilizers}, journal = {Polymer International}, volume = {55}, number = {11}, year = {2006}, month = {NOV}, pages = {1270-1276}, publisher = {JOHN WILEY \& SONS LTD}, type = {Article}, address = {THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND}, abstract = {

Nanocomposites of polypropylene impact copolymer and organoclays were prepared using different compatibilizers (polypropylene-graft-(maleic anhydride) (PPMA), polyethylene-graft-(maleic anhydride) (PEMA) and their mixture) and varying percentages of clay (3 and 6\%) in an attempt to obtain balanced mechanical properties. The nanocomposites were prepared by melt compounding and test specimens were prepared by injection molding. Mechanical properties such as tensile, flexural and Izod impact strength are reported. The clay dispersion was investigated using wide-angle X-ray diffraction while the phase morphology was characterized using scanning electron microscopy. It is shown that the mechanical properties of the system with mixed PPMA and PEMA compatibilizers showed the best balance of mechanical properties among the nanocomposites explored. (C) 2006 Society of Chemical Industry.

}, keywords = {clay, compatibilizers, Nanocomposites, polypropylene}, issn = {0959-8103}, doi = {10.1002/pi.2077}, author = {Deenadayalan, E. and Vidhate, Shailesh and Lele, Ashish K.} } @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:000242059100038, title = {Nazarov reagent: a novel reagent for the synthesis of natural products}, journal = {Synlett}, number = {17}, year = {2006}, month = {OCT}, pages = {2853-2854}, publisher = {GEORG THIEME VERLAG KG}, type = {Article}, address = {RUDIGERSTR 14, D-70469 STUTTGART, GERMANY}, issn = {0936-5214}, doi = {10.1055/s-2006-950248}, author = {Kaur, Tanpreet} } @article { ISI:000238624000023, title = {Negative thermal expansion in silicalite-1 and zirconium silicalite-1 having MFI structure}, journal = {Materials Research Bulletin}, volume = {41}, number = {7}, year = {2006}, month = {JUL}, pages = {1392-1402}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In situ high temperature X-ray diffraction (HTXRD) studies on monoclinic silicalite-1 (S-1, silica polymorph of ZSM-5) and an orthorhombic metallosilicate molecular sieve, zirconium silicalite-1 (ZrS-1) with MFI structure (Si/Zr = 50) have been carried out using a laboratory X-ray diffractometer with an Anton Parr HTK 1600 attachment. While the structure of the S-I collapsed at 1123 K forming alpha-cristobalite. S-1 and ZrS-1 showed a complex thermal expansion behavior in the temperature range 298-1023 K, ZrS-1 was stable. Powder X-ray diffraction (PXRD) data taken in this region have shown strong negative lattice thermal expansion coefficient, alpha(v) = -6.75 x 10(-6) and - 17.92 x 10(-6) K-1 in the temperature range 298-1023 K-1 for S-1 and ZrS-1 samples, respectively. The thermal expansion behavior of S-1 and ZrS-1 is anisotropic, with the relative strength of contraction along a axis is more than that along b and c axes. Three different thermal expansion regions could be identified in the overall temperature range (298-1023 K) studied, corroborating with the three steps of weight loss in the TG curve of ZrS-1 sample. While the region between 298 and 423 K, displays positive thermal expansion coefficient with alpha(v) = 2.647 x 10(-6) and 4.24 x 10(-6) K-1, the second region between 423 and 873 K shows strong negative thermal expansion (NTE) coefficient alpha(v) = -7.602 x 10(-6) and - 15.04 x 10(-6) K-1, respectively, for S-1 and ZrS-1 samples. The region between 873 and 1023 K, shows a very strong NTE coefficient with alpha(v) = - 12.08 x 10(-6) and -45.622 x 10(-6) K-1 for S-1 and ZrS-1, respectively, which is the highest in the whole temperature range studied. NTE seen over a temperature range 298-1023 K could be associated with transverse vibrations of bridging oxygen atoms in the structure which results in an apparent shortening of the Si-O distances. (C) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {microporous materials, phase transitions, Thermal expansion, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2005.12.002}, author = {Bhange, Deu S. and Ramaswamy, V.} } @article { ISI:000238329100023, title = {Nitridation of high speed steel by electron cyclotron resonance plasma}, journal = {Journal of Physics D-Applied Physics}, volume = {39}, number = {10}, year = {2006}, month = {MAY}, pages = {2109-2113}, publisher = {IOP PUBLISHING LTD}, type = {Article}, address = {DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND}, abstract = {

Plasma nitridation of high speed M2 steel is studied using a microwave assisted electron cyclotron resonance plasma source. A mixture of hydrogen and nitrogen with a proportion of 7 : 3 was used as the nitriding gas. The density of plasma for this forming gas was measured to be similar to 10(18) m(-3) as estimated by a double probe method. The M2 steel was nitrided at various temperatures of 400, 450, 500 and 550 degrees C under similar reactor conditions. The nitrided layer was characterized by using various analytical techniques which included structural, morphological, chemical and microhardness measurement. The maximum thickness of the nitrided layer was found to be 48 mu m for samples nitrided at 550 degrees C. No layer corresponding to white/compound layer is seen in our analysis. The hardness is seen to increase from similar to 580HV to similar to 1190HV for samples nitrided at 550 degrees C. Electron cyclotron resonance plasma nitridation is observed to be much faster and a cleaner process as compared with the conventional nitriding process.

}, issn = {0022-3727}, doi = {10.1088/0022-3727/39/10/022}, author = {Majeed, Riyadh M A Abdul and Purohit, Vishwas and Bhide, Rajesh and Mandale, A. B. and Bhoraskar, S. V. and Bhoraskar, Vasant N.} } @article { ISI:000238162900006, title = {Non-catalytic pyrolysis of ethane to ethylene in the presence of CO2 with or without limited O-2}, journal = {Journal of Chemical Science}, volume = {118}, number = {3}, year = {2006}, month = {MAY}, pages = {261-267}, publisher = {INDIAN ACADEMY SCIENCES}, type = {Article}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Influence of the presence Of CO2, which is a mild oxidant, on the performance of the thermal cracking of ethane to ethylene in the absence or presence of limited O-2 at different temperatures (750-900 degrees C), space velocities (1500-9000 h(-1)) and CO2/C2H6 and O-2/C2H6 mole ratios (0-2.0 and 0-0.3 respectively) has been investigated. In both the presence and absence of limited 02, ethane conversion increases markedly because of the presence Of CO2, indicating its beneficial effect on the ethane to ethylene cracking. The increased ethane conversion is, however, not due to the oxidation of ethane to ethylene by CO2; the formation of carbon monoxide in the presence Of CO2 is found to be very small. It is most probably due to the activation of ethane in the presence Of CO2.

}, keywords = {ethane, ethane cracking in presence Of CO2, ethane cracking in presence of CO2 and limited O-2, Ethylene, thermal cracking of ethane}, issn = {0253-4134}, doi = {10.1007/BF02708286}, author = {Choudhary, Vasant R. and Mondal, Kartick C. and Mulla, Shafeek Abdul Rashid} } @article { ISI:000241686000011, title = {Novel beaded polymers from telechelic methacrylic ether esters}, journal = {Reactive \& Functional Polymers}, volume = {66}, number = {10}, year = {2006}, month = {OCT}, pages = {1087-1096}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A series of telechelic dimethacrylic ether-esters (MEE) were prepared by solventless reaction of alpha,omega-dihydroxy poly(oxytetramethylene) (polytetrahydrofuran, PTHF) with phthalic anhydride and glycidyl methacrylate (GMA). MEE was polymerized with GMA as well as GMA-ethylene dimethacrylate (EGDM) to form porous beads. The terpolymer beads were observed using optical microscopy and SEM and characterized for internal pore volume, equilibrium volume-swelling ratio and dimethyl formamide and aqueous buffer regain. The morphology of the beads was dictated by the mole fraction and molecular weight of MEE in the feed. Porosity was found to increase with increase in molecular weight of MEE. Thus, porosity as high as 49\%, 50\% and 55\% was observed with MEE of molecular weights 1580, 2580 and 3480, respectively. At a specific terpolymerization feed ratio of monomers, the terpolymers formed transform from gel like structure into a macroporous one, with increase in molecular weight of MEE. (c) 2006 Elsevier B.V. All rights reserved.

}, keywords = {ether-ester dimethacrylates, macroporous, Pore size distribution, porosity, telechelics}, issn = {1381-5148}, doi = {10.1016/j.reactfunctpolym.2006.01.020}, author = {Pujari, N. S. and Trivedi, J. and Ingavle, Ganesh C. and Ponrathnam, S.} } @article { ISI:000241849900010, title = {Novel chemical synthetic route and characterization of zinc selenide thin films}, journal = {Journal of Physics and Chemistry of Solid}, volume = {67}, number = {11}, year = {2006}, month = {NOV}, pages = {2310-2315}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Zinc selenide (ZnSe) thin film have been deposited using chemical bath method on non-conducting glass substrate in a tartarate bath containing zinc sulfate, ammonia, hydrazine hydrate, sodium selenosulfate in an aqueous alkaline medium at 333 K. The deposition parameter of the ZnSe thin film is interpreted in the present investigation. The films were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), optical absorption, electrical measurements, atomic absorption spectroscopy (AAS). The ZnSe thin layers grown with polycrystalline zinc blende system along with some amorphous phase present in ZnSe film. The direct optical band gap {\textquoteleft}E-g{\textquoteright} for the film was found to be 2.81 eV and electrical conductivity in the order of 10(-8)(Omega cm)(-1) with n-type conduction mechanism. (c) 2006 Elsevier Ltd. All rights reserved.

}, keywords = {chalcogenides, electronic materials}, issn = {0022-3697}, doi = {10.1016/j.jpcs.2006.05.001}, author = {Hankare, P. P. and Chate, P. A. and Delekar, S. D. and Asabe, M. R. and Mulla, Imtiaz S.} } @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 {42467, title = {Novel synthesis of highly functionalized pyrazolines and pyrazoles by triphenylphosphine mediated reaction of dialkyl azodicarboxylate with allenic esters}, journal = {Organic Letters}, volume = {8}, year = {2006}, month = {MAY}, pages = {2213{\textendash}2216}, type = {Article}, abstract = {

Reaction of the Huisgen zwitterion, derived from triphenylphosphine and dialkyl azodicarboxylate, with allenic esters affords highly functionalized pyrazolines and pyrazoles. The crystal structure of pyrazoline derivative 7a showed extensive C-H{\textperiodcentered}{\textperiodcentered}{\textperiodcentered}O interactions. Pyrazole formation proceeds via a novel nitrogen to carbon migration of the carboalkoxy group.

}, doi = {10.1021/ol0604623}, author = {Nair, Vijay and Biju, Akkattu T. and Mohanan, Kishor and Eringathodi, Suresh} } @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 {56}, title = {NCL-7, a novel all silica analog of polymorph B rich member of BEA family: synthesis and characterization}, journal = {Microporous and Mesoporous Materials}, volume = {101}, number = {1-2}, year = {2007}, note = {International Symposium on Zeolite and Microporous Crystals (ZMPC 2006), Yonago, JAPAN, JUL 30-AUG 02, 2006}, month = {APR}, pages = {108-114}, publisher = {Japan Assoc Zeolites}, type = {Article}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

{Polymorph B-rich BEA type structure, NCL-7, was synthesized using hydrothermal method in fluoride medium using perchloric acid as promoter. The samples were characterized using XRD, low temperature N-2-adsorption and Si-29 MASNMR. As the structure of beta is highly disordered Rietveld refinement of powder XRD patterns is precluded. Phase composition is derived using the simulated patterns for the random intergrowths of polymorph A and B by DIFFaX. The stacking direction c{\textquoteright} is perpendicular to the a{\textquoteright}b{\textquoteright} plane of the layer. The composition of polymorph B is found to be ca. 60-65\%. Two other structures namely NCL-5 and NCL-6 with varying degree of polymorph B enrichment were also synthesized. Synthesis parameters such as effect of H2O/SiO2, TEAOH/SiO2, HClO4/SiO2 and crystallization temperature were studied thoroughly. The present article explains for the first time the synthesis and characterization of NCL-7, an analog of BEA type family with enrichment of polymorph B and its comparison with normal beta (*

}, keywords = {B-polymorph, DIFFaX, Promoter, Reitveld refinement, synthesis, zeolite beta}, issn = {1520-6106}, doi = {10.1016/j.micromeso.2006.10.033}, author = {Kadgaonkar, Mahesh D. and Kasture, Mahesh W. and Bhange, Deu S. and Joshi, Praphulla N. and Ramaswamy, Veda and Kumar, Rajiv} } @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 { ISI:000246869200003, title = {New technique to study kinetics of chain conformation in polyaniline films}, journal = {Polymer Journal}, volume = {39}, number = {4}, year = {2007}, month = {FEB}, pages = {296-297}, publisher = {SOC POLYMER SCIENCE JAPAN}, type = {Article}, address = {TSUKIJI DAISAN NAGAOKA BLDG, 2-4-2 TSUKIJI, CHUO-KU, TOKYO, 104, JAPAN}, keywords = {Conformation, kinetics, laser, polyaniline, reflection}, issn = {0032-3896}, doi = {10.1295/polymj.PJ2006188}, author = {Harima, Yutaka and Kishimoto, Kazuya and Ogawa, Fumiyuki and Jiang, Xiaoqing and Patil, Rahul} } @article { ISI:000244293000015, title = {Nitrate reductase-mediated synthesis of silver nanoparticles from AgNO3}, journal = {Biotechnology Letters}, volume = {29}, number = {3}, year = {2007}, month = {MAR}, pages = {439-445}, publisher = {SPRINGER}, type = {Article}, address = {VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS}, abstract = {

Synthesis of silver nanoparticles using alpha-NADPH-dependent nitrate reductase and phytochelatin in vitro has been demonstrated for the first time. The silver ions were reduced in the presence of nitrate reductase, leading to the formation of a stable silver hydrosol 10-25 nm diam. and stabilized by the capping peptide. The nanoparticles were characterized by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy and UV-Vis absorption. These studies will help in designing a rational enzymatic strategy for the synthesis of nanomaterials of different chemical composition, shapes and sizes as well as their separation.

}, keywords = {Capping Peptide, enzymatic method, nitrate reductase, silver nanoparticles}, issn = {0141-5492}, doi = {10.1007/s10529-006-9256-7}, author = {Kumar, S. Anil and Abyaneh, Majid Kazemian and Gosavi, S. W. and Kulkarni, Sulabha K. and Pasricha, Renu and Ahmad, Absar and Khan, Mohammad Islam} } @article { ISI:000246347900035, title = {Nitration and amination of polyphenylene oxide: synthesis, gas sorption and permeation analysis}, journal = {European Polymer Journal}, volume = {43}, number = {4}, year = {2007}, month = {APR}, pages = {1450-1459}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A high degree of nitration of polyphenylene oxide (PPO) was successfully achieved by carefully optimizing synthetic protocol. The reduction of nitro group to amino could be done quantitatively. The physical properties of formed polymers were investigated and correlated with gas sorption and permeation properties. The formed polymers were amorphous in nature as revealed by wide angle X-ray diffraction spectra. An increase in the packing density in comparison to unsubstituted PPO as a result of induced polarity was indicated by lowering of fractional free volume and d-spacing. The substitution by either nitro or amino group increased the chain stiffness as revealed by the dynamic mechanical analysis. Though both, nitro and amino group substitution on PPO led to a decrease in pure gas permeability, the selectivity of various gas pairs was increased by these substitutions. The gas sorption analysis revealed that both, solubility selectivity and diffusivity selectivity were increased by these polar group substitutions. The nitro group substitution was more effective in improving solubility selectivity, while amino group substitution was more effective in improving diffusivity selectivity. (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Amination, nitration, permeation, polyphenylene oxide, Sorption}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2007.01.017}, author = {Bhole, Yogesh S. and Karadkar, Prasad B. and Kharul, Ulhas K.} } @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 {42463, title = {Novel reaction of the {\textquotedblleft}huisgen zwitterion{\textquotedblright} with chalcones and dienones: an efficient strategy for the synthesis of pyrazoline and pyrazolopyridazine derivatives}, journal = {Angewandte Chemie-International Edition}, volume = {46}, year = {2007}, month = {MAR}, pages = {2070{\textendash}2073}, type = {Article}, abstract = {

Two unexpected transformations: The reaction of the Huisgen zwitterion derived from triphenylphosphane and diisopropyl azodicarboxylate (DIAD) with chalcones affords functionalized pyrazolines. In contrast, the reaction with dienones affords pyrazolopyridazines, presumably by Diels{\textendash}Alder reaction of the initially formed pyrazoline with excess DIAD (see scheme).

}, keywords = {chalcones; nitrogen heterocycles; pyrazolines; synthetic methods; zwitterions}, doi = {10.1002/anie.200604025}, author = {Nair, Vijay and Biju, Akkattu T. and Mathew, Smitha C. and Eringathodi, Suresh} } @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:000244304100004, title = {Nuclease Stn alpha from Streptomyces thermonitrificans: characterization of the associated adenylic acid preferential ribonuclease activity}, journal = {Current Microbiology}, volume = {54}, number = {3}, year = {2007}, month = {MAR}, pages = {186-189}, publisher = {SPRINGER}, type = {Article}, address = {233 SPRING STREET, NEW YORK, NY 10013 USA}, abstract = {

Nuclease Stn alpha from Streptomyces thermonitrificans hydrolyses DNA and RNA at the rate of approximately 10:l. The optimum pH and temperature for RNA hydrolysis were 7.0 and 45 degrees C. The RNase activity of nuclease Stn alpha had neither an obligate requirement of metal ions nor was it activated in the presence of metal ions. The enzyme was inhibited by Zn2+, Mg2+, Co2+, and Ca2+; inorganic phosphate; pyrophosphate; NaCl; KCl; and metal chelators. It was stable at high concentrations of urea but susceptible to low concentrations of Sodium dodecyl sulfate and guanidine hydrochloride. The rates by which nuclease Stn alpha hydrolysed polyribonucleotides occurs in the order of poly A \>\> RNA \>\> poly U \> poly G \> poly C. The enzyme cleaved RNA to 3{\textquoteright} mononucleotides with preferential liberation of 3{\textquoteright}AMP, indicating it to be an adenylic acid preferential endonuclease.

}, issn = {0343-8651}, doi = {10.1007/s00284-006-0020-y}, author = {Deshmukh, Satej S.} } @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:000260944500007, title = {Nano-gold supported on Fe2O3: a highly active catalyst for low temperature oxidative destruction of methane green house gas from exhaust/waste gases}, journal = {Applied Catalysis A-General}, volume = {350}, number = {2}, year = {2008}, month = {NOV}, pages = {186-190}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A number of nano-gold catalysts were prepared by depositing gold on different metal oxides (viz. Fe2O3, Al2O3, Co3O4, MnO2, CeO2, MgO, Ga2O3 and TiO2), using the homogeneous deposition precipitation (HDP) technique. The catalysts were evaluated for their performance in the combustion of methane (1 mol\% in air) at different temperatures (300-600 degrees C) for a GHSV of 51,000 h(-1). The supported nano-gold catalysts have been characterized for their gold loading (by ICP) and gold particle size (by TEM/HRTEM or XRD peak broadening). Among these nano-gold catalysts, the Au/Fe2O3 (Au loading = 6.1\% and Au particle size = 8.5 nm) showed excellent performance. For this catalyst, temperature required for half the methane combustion was 387 degrees C, which is lower than that required for Pd(1\%)/Al2O3 (400 degrees C) and Pt(1\%)/Al2O3 (500 degrees C) under identical conditions. A detailed investigation on the influence of space velocity (GHSV = 10,000-100,000 cm(3) g(-1) h(-1)) at different temperatures (200-600 degrees C) on the oxidative destruction of methane over the Au/Fe2O3 catalyst has also been carried out. The Au/Fe2O3 catalyst prepared by the HDP method showed much higher methane combustion activity than that prepared by the conventional deposition precipitation (DP) method. The XPS analysis showed the presence of Au in the different oxidation states (Au-0, Au1+ and Au3+) in the catalyst. (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {Au/Fe2O3, Deposition precipitation, Homogeneous deposition precipitation, Methane combustion, Supported nano-gold catalysts}, issn = {0926-860X}, doi = {10.1016/j.apcata.2008.08.008}, author = {Choudhary, Vasant R. and Patil, V. P. and Jana, Prabhas and Uphade, B. S.} } @article { ISI:000258442800007, title = {Nanoreactors for nanostructured materials}, journal = {International Journal of Chemical Reactor Engineering}, volume = {6}, year = {2008}, month = {JAN}, pages = {A62}, publisher = {BERKELEY ELECTRONIC PRESS}, address = {2809 TELEGRAPH AVENUE, STE 202, BERKELEY, CA 94705 USA}, abstract = {

Organized systems such as micelles, reverse micelles, vesicles, polyelectrolyte capsules, liquid crystals, etc., formed through a self-assembling process represent nanoreactors that can be used for preparing nanostructured materials. Besides a fascinating academic subject, these nanoreactors provide a unique way to develop a special type of advanced material for a wide variety of applications in electronics, photonics, biomedical and other areas. The article examines the formation, functioning, properties and special attributes of these nanoreactors with a view towards their engineering analysis, design and possible integration in manufacturing technology.

}, keywords = {nanoreactors, Nanostructured materials, organized self-assemblies}, issn = {1542-6580}, author = {Khomane, Ramdas B. and Kulkarni, Bhaskar D.} } @article {42584, title = {Nanowires of metal-organic complex by photocrystallization: a system to achieve addressable electrically bistable devices and memory elements}, journal = {Langmuir}, volume = {24}, year = {2008}, month = {MAY}, pages = {5937{\textendash}5941}, abstract = {

A new method has been achieved to form a Cu:benzoquinone derivative (DDQ) charge-transfer complex by the photoexcitation of [Cu(DDQ)2(CH3COO)2] (1) that has been synthesized by the reaction of DDQ and hydrated cupric acetate in acetonitrile. Photoexcitation of coordinated complex 1 leads to the formation of charge-transfer complex Cu2+(DDQ{\textbullet}-)2 (2). The charge transfer complex 2, when spun on solid substrates, forms nanowires. Sandwich structures of 2 exhibit electrical bistability associated with memory phenomenon. Read-only and random-access memory phenomena are evidenced in nanowires of 2 providing a route to attend the issues pertaining to the addressibility of organic memory devices.

}, doi = {10.1021/la703871g}, author = {Rath, Arup Kumar and Dhara, Koushik and Banerjee, Pradyot and Pal, Amlan J.} } @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 { ISI:000261133600029, title = {New microporous MOF material based on Zn(II)-polycarboxylate coordination polymer synthesized with the aid of 1,6-diaminohexane as template}, journal = {Microporous and Mesoporous Materials}, volume = {116}, number = {1-3}, year = {2008}, month = {DEC}, pages = {204-209}, publisher = {ELSEVIER SCIENCE BV}, type = {Article}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

A new microporous metal-organic framework (MOF) material ZBTEC-1 has been synthesized by designing infinite coordination polymer network formed between Zn(II) and 1,2,4,5-benzenetetracarboxylic acid (BTEC) under solvothermal conditions in the presence of 1,6-diaminohexane (DAH) as a single molecule template. Powder XRD data demonstrate that the ZBTEC-1 material has a new MOF structure. N-2 sorption studies indicated moderately good surface area (306 m(2) g(-1)) with large size micropores (average pore diameter ca. 0.7 nm) and very high pore volume (1.93 ccg(-1)). C-13 solid state MAS-NMR, FT-IR and UV-visible spectroscopic studies showed the presence of BTEC moieties in the framework. TEM and FE-SEM analysis indicated 30-60 nm diameter size microporous spherical particles for the ZBTEC-1 crystallites. This novel MOF material showed good hydrogen adsorption capacity at 77 K, indicating its potential application in hydrogen storage. (C) 2008 Elsevier Inc. All rights reserved.

}, keywords = {Coordination polymer, Metal-organic framework, Microporous material, porosity, Zinc complex}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2008.04.003}, author = {Chandra, Debraj and Kasture, Mahesh W. and Bhaumik, Asim} } @article { ISI:000254004400057, title = {New poly(phenylene oxide)/polystyrene blend nanocomposites with clay: intercalation, thermal and mechanical properties}, journal = {Journal of Applied Polymer Science}, volume = {108}, number = {3}, year = {2008}, month = {MAY}, pages = {1818-1828}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

We present the first study and results on the preparation and characterization of montmorillonite clay filter based polymer blend nanocomposites of the miscible poly(phenylene oxide)/polystyrene blend. Intercalated nanocomposites, prepared by a melt-processing method with 2-6 wt \% commercially available organically modified sodium montmorillonite, have been characterized with wide-angle X-ray diffraction, transmission electron microscopy analysis, thermal analysis (thermogravimetric analysis and differential scanning calorimetry), and mechanical tensile tests. We show that nanocomposites can be successfully prepared in a batch mixer at temperatures much below the conditions conventionally used for this blend without organic degradation. Thermal stability is enhanced by nanoscale hybrid formation. The level of intercalation (change in the d-spacing) does not change with the clay loading. Better dispersion of clay in the blend matrix has been observed at a low level of clay content. The nanocomposites show improved tensile modulus (by 31\%) in comparison to the blend, whereas the tensile strength (stress at break) and elongation decrease in the presence of the filler with an increase in the clay loading. The Halpin-Tsai model is able to predict the modulus of the nanocomposites in very good agreement with the experimental data. (c) 2008 Wiley Periodicals, Inc.

}, keywords = {mechanical properties, Nanocomposites, organoclay, poly(phenylene oxide), Polystyrene, Thermal properties}, issn = {0021-8995}, doi = {10.1002/app.27743}, author = {Tiwari, Rajkiran R. and Khilar, Kartic C. and Natarajan, Upendra} } @article { ISI:000258370500013, title = {New route for preparation of luminescent mercaptoethanoate capped cadmium selenide quantum dots}, 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 = {291-296}, publisher = {INDIAN ACAD SCIENCES}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

We report a synthesis of cadmium selenide quantum dots (Q-CdSe) by refluxing a mixture of cadmium acetate, selenium powder, sodium sulfite and 2-mercaptoethanol in N,N{\textquoteright}-dimethyl formamide (DMF)/water solution. X-ray and electron diffractions suggest the formation of hexagonal phase of size quantized CdSe. Based on TEM analysis, the formation of nanoparticles with an average diameter of 3.5 +/- 0.5 nm is inferred. Their sols in DMF and dimethyl sulphoxide (DMSO) gave characteristic absorption peaks at 300 nm and 327 nm, which is attributed to the formation of high quality, size quantized CdSe particles. Extracted particles from the sol were readily redispersed in DMF and DMSO, which were diluted further with water without losing their optical and colloidal properties. FTIR spectroscopy suggested the formation of 2-mercaptoethanol thiolate on the particle surface, with free -OH groups available for linkage. Sols in DMSO and their solutions in water displayed an intense photoluminescence (PL).

}, keywords = {chalcogenides, Chemical synthesis, photoluminescence, semiconductor quantum dots}, issn = {0250-4707}, doi = {10.1007/s12034-008-0047-8}, author = {Wankhede, Manoj E. and Inamdar, Shaukatali N. and Deshpande, Aparna and Thete, Aniket R. and Pasricha, Renu and Kulkarni, Sulabha K. and Harani, Santosh K.} } @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:000253699900005, title = {Nonaqueous synthesis and characterization of capped alpha-Fe2O3 nanoparticles from iron(III) hydroxy-oleate precursor}, journal = {Polyhedron}, volume = {27}, number = {3}, year = {2008}, month = {FEB}, pages = {933-938}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

The synthesis of capped alpha-Fe2O3 nanoparticles from thermal treatment of iron (III) hydroxy-oleate in boiling organic solvents around 250 degrees C with retention of the integrity of the oleate units during the reaction process is reported. The formation of capped iron oxide particles is accomplished under aerobic conditions while the solvents used in the synthesis have strong influence on the nature and morphology of nanoparticles. These nanoparticles are studied by means of X-ray powder diffraction, IR and XPS while the morphology and particle size of nanocrystals are evaluated using SEM and TEM analysis suggesting the formation of monocrystalline alpha-Fe2O3 particles having cubical and spherical morphologies with sizes ranging from 20 to 30 nm. This organophilic material with oleate capping around the surfaces can be readily dispersed in organic solvents thus forming organosols. These organosols exhibit band-edge emission photoluminescence band both in toluene as well as in solid state while FT-IR analysis reveals formation oleate capped nanoparticles The XPS data indicate ferric state having doublet from Fe 2P(3/2) and Fe 2p(1/2) core-level electrons. (c) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {alpha-Fe2O3, capped nanoparticles, cubic morphology, ferrofluids, nonaqueous synthesis, Oleic acid, organosol}, issn = {0277-5387}, doi = {10.1016/j.poly.2007.11.021}, author = {Chikate, Rajeev C. and Jun, Ki-Won and Rode, Chandrasekhar V.} } @article { ISI:000257362100009, title = {Non-isothermal kinetic studies of the template decomposition from silicalite-1 framework-high temperature X-ray diffraction and thermogravimetric analysis}, journal = {Microporous and Mesoporous Materials}, volume = {113}, number = {1-3}, year = {2008}, month = {AUG}, pages = {64-71}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Non-isothermal decomposition of the tetrapropylammonium cations (TPA(+)) intercalated in silicalite-1 framework has been carried out using thermogravimetric (TG) analysis and high temperature powder X-ray diffraction (HTXRD) techniques. Conversion factor for template decomposition is calculated using two methods viz., \% weight loss from the thermogravimetric analysis and changes in the intensities of the Bragg reflections 101/011 and 200/020 in the HTXRD patterns scanned at different temperatures (range 298823 K). The calculated apparent activation energy for template decomposition in air was 129 and 125 kJ mol(-1), respectively, for the two techniques TG and HTXRD, calculated using the Kissinger method. By Flynn-Wall-Ozawa approach of isoconversion, apparent activation energy for template decomposition in air was 123 and 124 U mol-1, respectively, for TG and HTXRD data. The reaction order was determined using the method of Kennedy and Clark and it is similar to 2 by both the techniques. The second order of template decomposition can be attributed to the fact that TPA+ is positioned in two different orientations inside the silicalite-1 framework. Template removal occurs with a contraction in unit cell dimensions. There is a decrease in the lattice parameters of the as-synthesized silicalite-1 sample after removal of template from the framework. (C) 2007 Elsevier Inc. All rights reserved.

}, keywords = {HTXRD, non-isothermal kinetics, Silicalite-1}, issn = {1387-1811}, doi = {10.1016/j.micromeso.2007.11.002}, author = {Bhange, Deu S. and Pandya, N. A. and Jha, Ratnesh Kumar and Ramaswamy, Veda} } @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:000257365900027, title = {Novel hydroxide precursors for low temperature synthesis of selected ternary oxides}, journal = {Materials Research Bulletin}, volume = {43}, number = {7}, year = {2008}, month = {JUL}, pages = {1842-1849}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A novel method of using hydroxide precursors to reduce the synthesis temperature for few selected ternary oxides has been presented here. This technique is very useful and advantageous when the ternary oxides contain an alkaline earth element. The selected compositions for this method are BaCeO3 (BC), BaBiO3 (BB), La0.7Sr0.3CoO3 (LSCO) and BaBi2Nb2O9 (BBN). Commercially purchased strontium (or barium) hydroxide and freshly prepared lanthanum, cobalt, bismuth and niobium hydroxides were mixed thoroughly in stoichiometric ratio and heated at different temperatures ranging from 100 to 700 degrees C for 10 h for corresponding compositions. The sequence of the reaction and evolution of the product phase were studied by the X-ray diffraction (XRD) studies. The phase purity and lattice parameters were also determined by XRD investigations. All the product phases in each case were formed at relatively low temperature than when they were prepared by co-precipitation or solid state method. The morphology and average particle size of these powders were investigated by scanning electron microscopy (SEM). (C) 2007 Elsevier Ltd. All rights reserved.

}, keywords = {Ceramics, Chemical synthesis, Electron microscopy, Oxides, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2007.07.006}, author = {Muthurajan, H. and Rao, N. Koteswara and Gupta, U. N. and Pradhan, Sivaram and Jha, Ratnesh Kumar and Kumar, H. H. and Mirji, S. A. and Ravi, V.} } @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:000253478500012, title = {Novel synthesis of SrBi2Nb2O9 powders from hydroxide precursors}, journal = {International Journal of Applied Ceramic Technology}, volume = {5}, number = {1}, year = {2008}, month = {JAN}, pages = {101-104}, publisher = {BLACKWELL PUBLISHING}, address = {9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND}, abstract = {

Simple hydroxide precursors were used for the first time for the synthesis of a typical Aurivillius compound (SrBi2Nb2O9 (SBN)) at a low temperature. This method is very advantageous because it circumvents the use of SrCO3 in the case of conventional ceramics as well in the coprecipitation methods, thereby lowering the formation of the product phase. Commercially purchased strontium hydroxide is mixed thoroughly with freshly precipitated bismuth and niobium hydroxides in a stoichiometric ratio and heated at different temperatures ranging from 100 degrees C to 750 degrees C for 12 h. The sequence of the reaction and evolution of the product phase was monitored by X-ray diffraction (XRD) studies by recording the XRD for samples calcined at different temperatures. The incipient SBN phase begins to form at temperatures as low as 400 degrees C, and phase formation was complete only at 650 degrees C as revealed by the XRD observations. The differential thermal/thermogravimetric analyses) also corroborate this result. The morphology and average particle size of these powders were investigated by transmission electron microscopy studies.

}, issn = {1546-542X}, doi = {10.1111/j.1744-7402.2008.02182.x}, author = {Gupta, Upendra Nath and Rao, Koteswara and Pradhan, Sivaram and Jha, Ratnesh Kumar and Muthurajan, Harries and Ravi, Venkat} } @article { ISI:000254698300033, title = {Novel technique to prepare LiTaO3 at low temperature}, journal = {Ceramics International}, volume = {34}, number = {3}, year = {2008}, month = {APR}, pages = {669-670}, publisher = {ELSEVIER SCI LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND}, abstract = {

Firstly, fresh tantalum hydroxide was precipitated from TaF5 solution using an aqueous ammonium hydroxide under basic conditions. Then a simple procedure of mixing lithium and tantalum hydroxides together and heating at a low temperature (450 degrees C) produced pure ultrafine single phase LiTaO3 (LT). This is the lowest temperature so far reported for the formation of LT in the literature. 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 Ltd and Techna Group S.r.l. All rights reserved.

}, keywords = {chemical synthesis X-ray diffraction, Electron microscopy, electronic materials, LiTaO3}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2006.11.003}, author = {Muthurajan, H. and Kumar, H. H. and Natarajan, N. and Ravi, 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:000269291500035, title = {Nanocrystalline Mn-Zn-ferrite by novel oxalato-hydrazinated complex method}, journal = {Materials Chemistry and Physics}, volume = {117}, number = {1}, year = {2009}, month = {SEP}, pages = {187-191}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

We report here for the first time the synthesis of technologically important ferrite, using a metal oxalato-hydrazinate (MOH) complex method. The MOH complex of iron-manganese-zinc was synthesized at room temperature using the precursors, ferrous ammonium sulphate, manganese acetate and zinc acetate. Thermo-gravimetric studies of MOH intermediate showed complete phase formation of MnZnFe(2)O(4) at 280 degrees C. XRD data showed the formation of single phase cubic spinel MnZnFe(2)O(4). Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) demonstrate the spherical shape particle morphology. TEM images indicated the particle size of ferrite powder in the range of 20-36 nm. Magnetization of synthesized nano-sized Mn(0.69)Zn(.0.19)Fe(2.12)O(4) was observed coercive force (H(c)) at 127.82 Oe with a saturation magnetization (M(s)), 34.5 emu g(-1) using vibrating sample magnetometer (VSM) at room temperature. Mossbauer study of nano-sized ferrite powder showed super-paramagnteic behavior. (c) 2009 Elsevier B.V. All rights reserved.

}, keywords = {crystal structure, Magnetic materials, Mn-Zn-ferrite, Nanostructures, Optical properties}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2009.05.036}, author = {Kanade, K. G. and Amalnerkar, Dinesh P. and Potdar, H. S. and Kale, B. B.} } @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:000263365600013, title = {NC palladacycles in the Heck arylation of ethylene: synthesis, structure and their reactivity}, journal = {Journal of Organometallic Chemistry}, volume = {694}, number = {5}, year = {2009}, month = {MAR}, pages = {683-690}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Monomeric cyclopalladated complexes with NC coordination using ligands 2-phenylpyridine, 2-phenylquinoline, 8-methylquinoline have been synthesized and the structures have been determined by single crystal X-ray structure analysis. The crystal structures of monomeric palladacycles prepared using benzophenone oxime, and 2-phenylpyridine have also been determined. The use of these complexes in the Heck arylation of ethylene with 2-bromo-6-methoxynaphthalne (BMN) to give 2-vinyl-6-methoxynapthalene which is an intermediate for the synthesis of anti-inflammatory drug Naproxen has been examined and also arylation of ethylene with 3-bromo-benzophenone and 4-bromo-isobutylbenzene was investigated. These palladacycles with NC coordination show excellent catalytic activity with a TOF \> 4000 h (1). (C) 2008 Elsevier B.V. All rights reserved.

}, keywords = {alpha-Aryl propionic acids, Arylation, Palladacycle}, issn = {0022-328X}, doi = {10.1016/j.jorganchem.2008.11.065}, author = {Atla, Shashi B. and Kelkar, Ashutosh A. and Puranik, Vedavati G. and Bensch, Wolfgang and Chaudhari, Raghunath V.} } @article {42457, title = {N-heterocyclic carbene-catalyzed hydroacylation of unactivated double bonds}, journal = {Journal of the American Chemical Society}, volume = {131}, year = {2009}, month = {SEP}, pages = {14190{\textendash}14191}, abstract = {

An intramolecular N-heterocyclic carbene (NHC)-catalyzed hydroacylation of unactivated double bonds is reported. Systematic variation of the catalyst structure revealed an N-mesitylthiazolylidene annulated with a seven-membered ring to be especially reactive. This NHC enables a unique C-C bond-forming reaction to afford substituted chroman-4-ones in moderate to excellent yields, even ones containing all-carbon quaternary centers.

}, doi = {10.1021/ja906361g}, author = {Hirano, Keiichi and Biju, Akkattu T. and Piel, Isabel and Glorius, Frank} } @article { ISI:000266447600055, title = {Nitric oxide reduction with ethanol on palladium surfaces: a molecular beam study}, journal = {Journal of Physical Chemistry C}, volume = {113}, number = {22}, year = {2009}, month = {JUN}, pages = {9814-9819}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Nitric oxide (NO) reduction with ethanol has been carried out with molecular beam instruments in order to understand the influence of ethanol blended gasoline on NO reduction. Maximum NO reduction and nitrogen production was observed between 500 and 600 K. Oxidation products, CO, CO(2), and H(2)O were also observed. Beam switching experiments have been performed between fuel-rich and fuel-lean compositions to demonstrate that the NO reduction can be managed under net oxidizing conditions on Pd surfaces. Nitrogen production only occurs transiently on the relatively clean Pd surface in the oxygen-rich condition due to slow build up and blockage of the reaction by surface oxygen atoms. This shows the need to maintain relatively oxygen free surfaces to manage NO reduction under net-oxidizing conditions by beam oscillation between fuel-rich and fuel-lean compositions.

}, issn = {1932-7447}, doi = {10.1021/jp902017c}, author = {Nagarajan, Sankaranarayanan and Thirunavukkarasu, Kandasamy and Gopinath, Chinnakonda S. and Counsell, Jonathan and Gilbert, Lee and Bowker, Michael} } @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:000263218700025, title = {Novel synthesis of coumarins employing triphenyl(alpha-carboxymethylene)-phosphorane imidazolide as a C-2 synthon}, journal = {Tetrahedron Letters}, volume = {50}, number = {2}, year = {2009}, month = {JAN}, pages = {236-238}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A novel one-pot synthesis of coumarins via intramolecular Wittig cyclization from the reaction of phenolic compounds containing ortho-carbonyl group and triphenyl(alpha-carboxy methylene)phosphorane imidazolide is described. (c) 2008 Elsevier Ltd. All rights reserved.

}, keywords = {Carbonyldiimidazole, Coumarins, Intramolecular Wittig reaction, Phenolic compound, Phosphorane}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2008.10.133}, author = {Upadhyay, Puspesh K. and Kumar, Pradeep} } @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:000272871400006, title = {N-substitution of polybenzimidazoles: synthesis and evaluation of physical properties}, journal = {European Polymer Journal}, volume = {45}, number = {12}, year = {2009}, month = {DEC}, pages = {3363-3371}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Series of N-substituted polybenzimidazoles (PBI) were synthesized using selective alkyl groups with varying bulk and flexibility, viz., methyl, n-butyl, methylene trimethylsilane and 4-tert-butylbenzyl. PBl-I based on 3,3{\textquoteright}-diaminobenzidine (DAB) and isophthalic acid and PBI-Bul based on DAB and 5-tert-butyl isophthalic acid were chosen for N-substitution. Structural characterizations of substituted polymers by FT-IR and (1)H NMR revealed elimination of hydrogen bonding. Evaluation of their physical properties revealed that N-substitution rendered better solvent solubility in common organic solvents, more open polymer matrix, but reduced thermal properties in comparison to their respective parent PBI. 4-tert-butylbenzyl, methylene trimethylsilane or n-butyl group substituted polymers were soluble even in chlorinated solvents (CHCl(3) and TCE). Substantial variations in gas permeability of inert gases, He and Ar and attractive P(He)/P(Ar) selectivity, especially after methyl group substitution depicted potential of these materials for gas separation. (C) 2009 Elsevier Ltd. All rights reserved.

}, keywords = {Gas permeation, hydrogen bonding, N-Substitution, Polybenzimidazole}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2009.10.006}, author = {Kumbharkar, Santosh C. and Kharul, Ulhas K.} } @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:000281058900005, title = {Nanogold-Loaded sharp-edged carbon bullets as plant-gene carriers}, journal = {Advanced Functional Materials}, volume = {20}, number = {15}, year = {2010}, month = {AUG}, pages = {2416-2423}, publisher = {WILEY-V C H VERLAG GMBH}, address = {PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY}, abstract = {

The higher DNA delivery efficiency into plants by gold nanoparticles embedded in sharp carbonaceous carriers is demonstrated. These nanogold-embedded carbon matrices are prepared by heat treatment of biogenic intracellular gold nanoparticles. The DNA-delivery efficiency is tested on a model plant, Nicotiana tabacum, and is further extended to the monocot, Oryza sativa, and a hard dicot tree species, Leucaena leucocephala. These materials reveal good dispersion of the transport material, producing a greater number of GUS foci per unit area. The added advantages of the composite carrier are the lower plasmid and gold requirements. Plant-cell damage with the carbon-supported particles is very minimal and can be, gauged from the increased plant regeneration and transformation efficiency compared with that of the commercial micrometer-sized gold particles. This is ascribed to the sharp edges that the carbon supports possess, which lead to better piercing capabilities with minimum damage.

}, issn = {1616-301X}, doi = {10.1002/adfm.200901883}, author = {Vijayakumar, Periyasamy S. and Othalathara U. Abhilash and Khan, Bashir Mohammad and Bhagavatula L. V. Prasad} } @article { ISI:000279514400059, title = {Nanoscale modulation of electronic states across unit cell steps on the surface of an epitaxial colossal magnetoresistance manganite film}, journal = {Applied Physics Letters}, volume = {96}, number = {26}, year = {2010}, month = {JUN}, pages = {Article No. 263108}, 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 nature of electronic states near the edge of unit cell steps on the surface of epitaxial La(0.7)Sr(0.3)MnO(3) (LSMO) thin films grown by real-time reflection high energy electron diffraction monitored pulsed laser deposition is examined by scanning tunneling microscopy and scanning tunneling spectroscopy techniques. It is observed that the electronic states are strongly modulated near the step edge with considerably high gap at the edge and low gap on the terrace. This modulation weakens at low temperature. The temperature evolution of the density of states and the nature of gap in deep metallic state of LSMO are also discussed. (C) 2010 American Institute of Physics. [doi:10.1063/1.3455886]

}, keywords = {colossal magnetoresistance, electronic density of states, lanthanum compounds, magnetic epitaxial layers, Nanostructured materials, pulsed laser deposition, reflection high energy electron diffraction, scanning tunnelling microscopy, scanning tunnelling spectroscopy, strontium compounds}, issn = {0003-6951}, doi = {10.1063/1.3455886}, author = {Rana, Abhimanyu and Bogle, Kashinath A. and Game, Onkar S. and Patil, Shankar and Valanoor, Nagarajan and Ogale, Satishchandra B.} } @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 {42578, title = {Near-IR activity of hybrid solar cells: enhancement of efficiency by dissociating excitons generated in PbS nanoparticles}, journal = {Applied Physics Letters}, volume = {96}, year = {2010}, month = {FEB}, pages = {Article no: 073505}, abstract = {

Photovoltaic devices based on PbSnanoparticles remained inactive in the near-IR region due to a not-so-favorable energy band-diagram that does not allow dissociation of excitons generated in PbS. In this work, with the introduction of nanostructures in the PbS-based hybrid system, we show an enhancement of photovoltaic performance in both visible and near-IR regions. The addition of increases the power conversion efficiency from 0.006\% to 0.12\%. With the aid of energy band-diagram, we show that excitons generated in PbS even in the near-IR range can now become dissociated to yield photocurrent in the external circuit.

}, doi = {10.1063/1.3292183}, author = {Guchhait, Asim and Rath, Arup Kumar and Pal, Amlan J.} } @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:000280311500048, title = {New N-substituted ABPBI: synthesis and evaluation of gas permeation properties}, journal = {Journal of Membrane Science}, volume = {360}, number = {1-2}, year = {2010}, month = {SEP}, pages = {418-425}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Aromatic poly(2,5-benzimidazole), ABPBI was post-modified for the first time to produce organosoluble N-substituted ABPBI. This modification was carried out by N-substitution of ABPBI with bulky alkyl groups, viz., 4-tert-butylbenzyl and methylene trimethylsilyl in an attempt to utilize high rigidity of ABPBI towards gas permeation. These substituted polymers exhibited solubility in common organic solvents, enhancing their processability than ABPBI, which is soluble only in acidic solvents. Considerable decrease in chain packing density led to increase in gas sorption as that of unsubstituted ABPBI. The permeability of pure gases of commercial significance (He, H(2), N(2), O(2), CH(4) and CO(2)) were high, coupled with attractive selectivities. In comparison to conventional PBI, methylene trimethylsilyl substituted ABPBI led to considerably high (33 folds) CO(2) permeability with almost similar selectivity (P(CO2)/P(N2) approximate to 33). Feasibility of these N-substituted ABPBIs to be converted in to required membrane form along with its considerably higher permeation properties depicted the potential of this polymer to be used as gas separation material. Gas diffusion coefficients were estimated from solubility and permeability coefficient. These, along with dual-mode sorption parameters estimated from sorption isotherms provided an insight towards variations in permeation behavior caused by the substitution. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {5-benzimidazole), Diffusion, Gas permeation, N-Substitution, Poly(2, Sorption}, issn = {0376-7388}, doi = {10.1016/j.memsci.2010.05.041}, author = {Kumbharkar, Santosh C. and Kharul, Ulhas K.} } @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 {42453, title = {N-heterocyclic carbene-catalyzed cascade reaction involving the hydroacylation of unactivated alkynes}, journal = {Journal of the American Chemical Society}, volume = {132}, year = {2010}, month = {APR}, pages = {5970{\textendash}5971}, abstract = {

The N-heterocyclic carbene (NHC)-catalyzed hydroacylation of unactivated alkynes to provide α,β-unsaturated ketones is reported. In addition, a rare case of an efficient and selective dually NHC-catalyzed cascade reaction involving the hydroacylation of alkynes and a subsequent intermolecular Stetter reaction allows the formation of chromanones containing a 1,4-diketone moiety.

}, doi = {10.1021/ja102130s}, author = {Biju, Akkattu T. and Wurz, Nathalie E. and Glorius, Frank} } @article { ISI:000279958200023, title = {Nitrophenoxy groups containing polybenzimidazoles as polymer electrolytes for fuel cells: synthesis and characterization}, journal = {Journal of Applied Polymer Science}, volume = {117}, number = {6}, year = {2010}, month = {SEP}, pages = {3282-3292}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

Polybenzimidazoles containing different contents of pendant nitrophenoxy groups were prepared by condensation of 3,3{\textquoteright}-diamino-benzidine with a mixture of 3,5-dicarboxyl-4{\textquoteright}-nitro diphenyl ether and isophthalic acid (IPA) in different ratios in polyphosphoric acid. The polymers are soluble in polar aprotic solvents, they have inherent viscosities in the range of 0.75-1.10 dL g(-1) and they form tough and transparent films on solution casting. They have good thermal stability with initial decomposition temperature ranging from 380 to 416 degrees C in nitrogen, good tensile strength ranging from 56 to 65 MPa and reasonably good oxidative stability. Phosphoric acid uptake of these polymers is low compared with PBI and membranes doped with phosphoric acid exhibit good proton conductivity in the range of 6.6x 10(-3) to 1.9x 10(-2) S/cm at 25 degrees C and 1.2x 10(-2) to 4.9x 10(-2) S/cm at 175 degrees C, compared with 3.9x 10(-3) S/cm at 25 degrees C and 3.2x 10(-2) S/cm at 175 degrees C for PBI. These membranes are suitable for applications as polymer electrolyte for fuel cell and presumably for gas separation at high temperature. (C) 2010 Wiley Periodicals, Inc. J Appl Polym Sci 117: 3282-3292, 2010

}, keywords = {Characterization, membranes, pendant nitrophenoxy group, polybenzimidazoles, proton conductivity, synthesis}, issn = {0021-8995}, doi = {10.1002/app.30279}, author = {Kulkarni, Mahesh and Potrekar, Ravindra and Kulkarni, R. A. and Vernekar, S. P.} } @article { ISI:000274424100004, title = {N-nitrosation of secondary amines using p-TSA-NaNO2 as a novel nitrosating agent under mild conditions}, journal = {Synthetic Communications}, volume = {40}, number = {5}, year = {2010}, month = {FEB}, pages = {PII 919082658}, publisher = {TAYLOR \& FRANCIS INC}, address = {325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA}, abstract = {

A combination of p-toluenesulfonic acid (p-TSA) and sodium nitrite was used as a novel effective nitrosating agent for the N-nitrosation of secondary amines to their corresponding nitroso derivatives under mild and heterogeneous conditions in moderate to excellent yields.

}, keywords = {N-nitrosation, nitroso amines, p-toluenesulfonic acid, secondary amines}, issn = {0039-7911}, doi = {10.1080/00397910903009448}, author = {Borikar, Sanjay P. and Paul, Vincent} } @article { ISI:000277529700013, title = {NO reduction under diesel exhaust conditions over Au/Al2O3 prepared by deposition-precipitation method}, journal = {Journal of Molecular Catalysis A-Chemical}, volume = {322}, number = {1-2}, year = {2010}, month = {MAY}, pages = {90-97}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Gold supported on alumina was prepared by urea deposition-precipitation method and compared to silver supported on alumina for the selective catalytic reduction of NO by hydrocarbons under lean conditions. The catalyst showed activity in the reduction of NO and 100\% selectivity towards N-2 in the temperature range 300-350 degrees C. At higher temperature the NO conversion decreased due to competitive oxidative reactions of the reductants. XPS analysis confirmed the good stability of gold nanoparticles deposited on alumina. Infrared studies showed the formation of various adsorbed species (formates, carboxylates, ad-NOx and cyanide) on the catalyst surface. Addition of H-2 to the feed containing decane enhanced the formation of these species on the catalyst surface as well as the catalytic activity for the NO conversion to N-2. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Deposition-precipitation, Gold, In situ IR, NO reduction, XPS}, issn = {1381-1169}, doi = {10.1016/j.molcata.2010.02.024}, author = {Miguel, P. and Granger, P. and Jagtap, Neelam and Shubhangi B. Umbarkar and Dongare, Mohan K. and Dujardin, Christophe} } @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:000276374700004, title = {Novel bifunctional peptidic aspartic protease inhibitor inhibits chitinase A from Serratia marcescens: kinetic analysis of inhibition and binding affinity}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1800}, number = {5}, year = {2010}, month = {MAY}, pages = {526-536}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Background: Chitinase inhibitors have chemotherapeutic potential as fungicides, pesticides and antiasthmatics. The majority of chitinase inhibitors reported are natural products like argifin, argifin linear fragments, argadin, allosamidin and disulfide-cyclized peptides. Here, we report a novel peptidic inhibitor API (Aspartic Protease Inhibitor), isolated from Bacillus licheniforrnis that inhibits chitinase A (ChiA) from Serratia marcescens. Methods: The binding affinity of API with ChiA and type of inhibition was determined by the inhibition kinetics assays. Fluorescence and CD spectroscopic analysis and chemical modification of API with different affinity reagents elucidated the mechanism of binding of API with ChiA. Results and conclusions: The peptide has an amino acid sequence N-Ile(1)-Cys(2)-Glu(3)-Ala(4)-Glu(5)-His(6)-Lys(7)-Trp(8)-Gly(9)-Asp(10) -Tyr(11)-Leu(12)-Asp(13)-C. The ChiA-API kinetic interactions reveal noncompetitive, irreversible and tight binding nature of API with I-50= 600 nM and K-i = 510 nM in the presence of chromogenic substrate pnitrophenyl-N,N{\textquoteright}-diacetyl-beta-chitobioside[p-NP-(GIcNAc)(2)]. The inhibition progress curves show a two-step slow tight binding inhibition mechanism with the rate constant k(5) = 8.7 +/- 1 x 10(-3) s(-1) and k(6) = 7.3 +/- 0.6 x 10(-5) s(-1). CD-spectra and tryptophanyl fluorescence analysis of ChiA incubated with increasing API concentrations confirms conformational changes in enzyme structure which may be due to irreversible denaturation of enzyme upon binding of API. Chemical modifications by WRK abolished the anti-chitinase activity of API and revealed the involvement of carboxyl groups in the enzyme inactivation. Abolished isoindole fluorescence of OPTA-labeled ChiA demonstrates the irreversible denaturation of ChiA upon incubation with API for prolonged time and distortion of active site of the enzyme. General significance: The data provide useful information that could lead to the generation of drug-like, natural product-based chitinase inhibitors. (C) 2010 Elsevier B.V. All rights reserved.

}, keywords = {Aspartic protease inhibitor, Bacillus licheniformis, Chitinase A, Enzyme kinetics, Slow tight binding inhibition}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2010.01.014}, author = {Kumar, Ajit and Rao, Mala} } @article { ISI:000275434800071, title = {Novel poly(amide-hydrazide)s and copoly(amide-hydrazide)s from Bis-(4-aminobenzyl) hydrazide and aromatic diacid chlorides: synthesis and characterization}, journal = {Journal of Applied Polymer Science}, volume = {116}, number = {4}, year = {2010}, month = {MAY}, pages = {2441-2450}, publisher = {JOHN WILEY \& SONS INC}, address = {111 RIVER ST, HOBOKEN, NJ 07030 USA}, abstract = {

A new aromatic diamine, viz., bis-(4-aminobenzyl) hydrazide (BABH), which contains preformed hydrazide and methylene linkage, was synthesized starting from alpha-tolunitrile. The BABH and intermediates involved in its synthesis were characterized by spectroscopic methods. Novel poly(amide-hydrazide)s were synthesized by low temperature solution polycondensation of BABH with isophthaloyl chloride (IPC) and terephthaloyl chloride (TPC). Furthermore, two series of copoly(amide-hydrazide)s, based on different mol \% of BABH and bis-(4-aminophenyl) ether (ODA) with IPC/TPC were also synthesized. Poly(amidehydrazide)s and copoly(amide-hydrazide)s were characterized by inherent viscosity [eta(inh)], FTIR, solubility, X-ray diffraction (MUD), differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). The polycondensation proceeded smoothy and afforded the polymers with inherent viscosities in the range of 0.18-093 dL/g in (NMP + 4\% LiCl) at 30 degrees C +/- 0.1 degrees C. These polymers dissolved in DMAc, NMP or DMSO containing LiCl. The solubility of copolymers was considerably improved in line with less crystalline nature due to random placement of constituent monomers during the copolymerization. XRD data indicated that poly(amide-hydrazide)s from BABH alone and IPC/TPC had higher crystallinity than the corresponding copoly(amide-hydrazide)s derived from a mixture of BABH and bis-(4-aminophenyl) ether (ODA). Polymers showed initial weight loss around 160 degrees C which is attributed to the cyclodehydration leading to the formation of corresponding poly(amide-oxadiazole)s. Copolyamide-hydrazides showed, T(max) between 400 and 540 degrees C which is essentially the decomposition of poly(amide-oxadiazole)s. (C) 2010 Wiley Periodicals, Inc. J App Polym Sci 116: 2441-2450, 2010

}, keywords = {bis-(4-aminobenzyl) hydrazide, poly(amide-hydrazide), structure-property relations, Thermogravimetric analysis (TGA), x-ray diffractograms}, issn = {0021-8995}, doi = {10.1002/app.31849}, author = {Medhi, M. and Patil, A. S. and Halhalli, Mahadeo R. and Choubey, A. and Wadgaonkar, P. P. and Maldar, Noormahamad N.} } @article { ISI:000273405000006, title = {Novel supramolecular organogel nanotubular template approach for conducting nanomaterials}, journal = {Journal of Physical Chemistry B}, volume = {114}, number = {2}, year = {2010}, month = {JAN}, pages = {728-736}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report a unique supramolecular organogel template approach for conducting polyaniline nanomaterials. A novel organogel based on sulfonic acid dopant was designed and developed from renewable resource 3-pentadecyl phenol via ring-opening of 1,4-butane sultone. The amphiphilic dopant molecule formed thermo-reversible supramolecular organogel in highly polar solvents like alcohols. The self-assembled fibril network morphology of the gel was confirmed by scanning electron microscopy (SEM) and atomic force microscopy. Transmission electron microscopy (TEM) revealed that the inner part of the fibrous gel is nanotubular with the pore diameter of similar to 75 run. The organogel nanotubular morphology was retained even in the presence of aniline+dopant complex, and the aniline monomers occupied the hydrophobic nanopockets provided by the amphiphilic dopant. The chemical oxidative polymerization of the dopant+aniline organogel template produced well-defined polyaniline nanofibers. The polymerization was carried out at various temperatures to establish the role of the physical state and stability of the organogel on the morphology. The sulfonic acid molecule acts both as self-assembled molecular template for the synthesis of polymer nanomaterial as well as anionic counterpart for stabilizing the positively charged conducting polymer chains. The gel template played a pivotal role in directing polyaniline chains to form nanofibers and also manipulating the number of other properties such as conductivity, solubility, percent crystallinity, and solid-state ordering, etc. Temperature-dependent electrical conductivity measurements revealed that the nanomaterials showed typical linear ohmic behavior and also followed the 3-D VRH model at elevated temperatures.

}, issn = {1520-6106}, doi = {10.1021/jp909016r}, author = {Anilkumar, P. and Jayakannan, M.} } @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 {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 { ISI:000288189100018, title = {Nanostructured spinet ZnCo2O4 for the detection of LPG}, journal = {Sensors and Actuators B-Chemical}, volume = {152}, number = {1}, year = {2011}, month = {FEB}, pages = {121-129}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Nanostrucutred spinel ZnCo2O4 (similar to 26-30 nm) was synthesized by calcining the mixed precursor (consisting of cobalt hydroxyl carbonate and zinc hydroxyl carbonate) in air at 600 degrees C for 5 h. The mixed precursor was prepared through a low cost and simple co-precipitation/digestion method. The transformation of the mixed precursor into nanostructured spinel ZnCO2O4 upon calcinations was confirmed by X-ray diffraction (XRD) measurement, thermogravimetric analysis (TGA), X-ray photoelectron spectroscopy (XPS) and high resolution transmission electron microscopy (HRTEM). To demonstrate the potential applicability of ZnCo2O4 spinel in the fabrication of gas sensors, its LPG sensing characteristics were systematically investigated. The ZnCo2O4 spinel exhibited outstanding gas sensing characteristics such as, higher gas response (similar to 72-50 ppm LPG gas at 350 degrees C), response time (similar to 85-90 s), recovery time (similar to 75-80 s), excellent repeatability, good selectivity and relatively lower operating temperature (similar to 350 degrees C). The experimental results demonstrated that the nanostructured spinel ZnCo2O4 is a very promising material for the fabrication of LPG sensors with good sensing characteristics. Plausible LPG sensing mechanism is also discussed. (c) 2010 Elsevier B.V. All rights reserved.

}, keywords = {HRTEM, LPG sensor, Nanostructured ZnCo2O4, Semiconductor gas sensors, XPS}, issn = {0925-4005}, doi = {10.1016/j.snb.2010.09.001}, author = {Vijayanand, Subramanian and Joy, Pattayil Alias and Potdar, Hari S. and Patil, Dewyani and Patil, Pradip} } @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:000295259700041, title = {N-Heterocyclic carbene catalyzed umpolung of michael acceptors for intermolecular reactions}, journal = {Angewandte Chemie-International Edition}, volume = {50}, number = {36}, year = {2011}, month = {AUG}, pages = {8412-8415}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

eahciM! The N-heterocyclic carbene catalyzed umpolung of Michael acceptors proceeds through the formation of a deoxy-Breslow intermediate (see scheme; EWG=electron-withdrawing group). This nucleophilic species can react with other Michael acceptors in an intermolecular fashion, thereby resulting in the formation of homo- or heterodimeric olefins. This {\textquotedblleft}Michael umpolung{\textquotedblright} should become a valuable method for the formation of densely functionalized olefins.

}, keywords = {carbenes, Michael acceptors, nitrogen heterocycles, organocatalysis, umpolung}, issn = {1433-7851}, doi = {10.1002/anie.201103555}, author = {Biju, Akkattu T. and Padmanaban, Mohan and Wurz, Nathalie E. and Glorius, Frank} } @article {42450, title = {N-heterocyclic carbene-catalyzed cross-coupling of aromatic aldehydes with activated alkyl halides}, journal = {Organic Letters}, volume = {13}, year = {2011}, month = {NOV}, pages = {98{\textendash}101}, abstract = {

N-Heterocyclic carbene-catalyzed umpolung of aldehydes followed by their interception with diarylbromomethanes has been reported. This conceptually novel transition-metal-free cross-coupling of aldehydes with alkyl halides works well at low catalyst loadings and under mild reaction conditions leading to the formation of diaryl acetophenone derivatives in good yields. In addition, α-halo ketones and esters can also be used as aldehyde reaction partners.

}, doi = {10.1021/ol102626p}, author = {Padmanaban, Mohan and Biju, Akkattu T. and Glorius, Frank} } @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:000295068300093, title = {Novel route for rapid biosynthesis of lead nanoparticles using aqueous extract of Jatropha curcas L. latex}, journal = {Materials Letters}, volume = {65}, number = {19-20}, year = {2011}, month = {OCT}, pages = {3170-3172}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

We are reporting a novel, low-cost and eco-friendly route for rapid synthesis of lead nanoparticles by using 0.5\% aqueous extract of Jatropha curcas L latex. Lead nanoparticles were characterized initially by UV-vis spectroscopy and shown distinct peak at 218 nm. This peak was highly specific for lead nanoparticles. Formation of Pb (0) was confirmed by X-ray diffraction technique (XRD).Transmission electron microscopy (TEM) was performed for estimating the size and shape of nanoparticles. The average size of lead nanoparticles was found to be in the range of 10 to 12.5 nm. Energy dispersive analysis of X-rays (EDAX) showed distinct peaks of lead. Fourier Transform Infrared Spectroscopy (FTIR) were performed to find the role of cyclic peptides namely curcacycline A (an octapeptide) and curcacycline B (a nonapeptide) as a possible reducing and capping agents present in the latex of Jatropha curcas L. Lead nanoparticles formed by the above method were monodisperse. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {FTIR, Latex, Lead nanoparticles, Nanoparticles}, issn = {0167-577X}, doi = {10.1016/j.matlet.2011.06.075}, author = {Joglekar, Shriram and Kodam, Kisan M. and Dhaygude, Mayur and Hudlikar, Manish} } @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:000289763700002, title = {Novel solar light driven photocatalyst, zinc indium vanadate for photodegradation of aqueous phenol}, journal = {Materials Research Bulletin}, volume = {46}, number = {5}, year = {2011}, month = {MAY}, pages = {635-638}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

In the present investigation, we have demonstrated the synthesis of novel photocatalyst, zinc indium vanadate (ZIV) by solid solid state route using respective oxides of zinc, indium and vanadium. This novel photocatalyst was characterized using XRD, FESEM, UV-DRS and FTIR in order to investigate its structural, morphological and optical properties. XRD clearly shows the formation of phase pure ZIV of triclinic crystal structure with good crystallinity. FESEM micrographs showed the clustered morphology having particle size between 0.5 and 1 mu m. Since, optical study showed the band gap around 2.8 eV, i.e. in visible region, we have performed the photocatalytic activity of phenol degradation under visible light irradiation. The photodecomposition of phenol by ZIV is studied for the first time and an excellent photocatalytic activity was obtained using this novel photocatalyst. Considering the band gap of zinc indium vanadate in visible region, it will also be the potential candidate for water splitting. (C) 2011 Elsevier Ltd. All rights reserved.

}, keywords = {Catalytic properties, Chemical synthesis, Oxides, X-ray diffraction}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2011.02.005}, author = {Mahapure, Sonali A. and Rane, Vilas H. and Ambekar, Jalindar D. and Nikam, Latesh K. and Marimuthu, R. and Kulkarni, Milind V. and Kale, Bharat B.} } @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 { ISI:000294413400023, title = {Numerical and experimental studies on extrudate swell of branched polyethylene through axisymmetric and planar dies}, journal = {Journal of Polymer Engineering}, volume = {31}, number = {2-3, SI}, year = {2011}, month = {JUL}, pages = {217-221}, publisher = {WALTER DE GRUYTER \& CO}, address = {GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY}, abstract = {

Extrudate swell is simulated using an Arbitrary Lagrangian Eulerian (ALE) technique based finite element formulation and the same has been validated by comparing the results with reported numerical and experimental studies. In the present work we compare our ALE simulations with our own experimental data on the extrudate swell of commercial grade low density polyethylene (LDPE) resin. The resins were characterized for their rheological behavior in both shear and uniaxial extension. The polymers were extruded from a capillary under isothermal conditions and the extrudates were observed on-line using a video camera. ALE simulations were performed using molecular constitutive model like eXtended Pom-Pom (XPP) for branched (LDPE). The simulated extrudate swell was a good match with the experimental data. It was found that the swell values of LPDE through planar die are higher than the axisymmetric die.

}, keywords = {ALE-FEM, extrudate swell, polymer flow simulations, XPP}, issn = {0334-6447}, doi = {10.1515/POLYENG.2011.046}, author = {Ganvir, Vivek and Gautham, Basavarsu P. and Thaokar, Rochish and Lele, Ashish K. and Pol, Harshwardhan} } @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:000300859000006, title = {Nanowires of silver-polyaniline nanocomposite synthesized via in situ polymerization and its novel functionality as an antibacterial agent}, journal = {Colloids and Surfaces B-Biointerfaces}, volume = {92}, year = {2012}, month = {APR}, pages = {35-41}, publisher = {ELSEVIER SCIENCE BV}, address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS}, abstract = {

Silver-polyaniline (Ag-PANI) nanocomposite was synthesized by in situ polymerization method using ammonium persulfate CAPS) as an oxidizing agent in the presence of dodecylbenzene sulfonic acid (DBSA) and silver nitrate (AgNO3). The as synthesized Ag-PANI nanocomposite was characterized by using different analytical techniques such as UV-visible (UV-vis) and Fourier transform Infrared spectroscopy (FT-IR), field emission scanning electron microscopy (FE-SEM), thermo gravimetric analysis (TGA). X-ray diffraction (XRD), and transmission electron microscopy (TEM). UV-visible spectra of the synthesized nanocomposite showed a sharp peak at similar to 420 nm corresponding to the surface plasmon resonance (SPR) of the silver nanoparticles (AgNPs) embedded in the polymer matrix which is overlapped by the polaronic peak of polyaniline appearing at that wavelength. Nanowires of Ag-PANI nanocomposite with diameter 50-70 nm were observed in FE-SEM and TEM. TGA has indicated an enhanced thermal stability of nanocomposite as compared to that of pure polymer. The Ag-PANI nanocomposite has shown an antibacterial activity against model organisms, a gram positive Bacillus subtilis NCIM 6633 in Mueller-Hinton (MH) medium, which is hitherto unattempted. The Ag-PANI nanocomposite with monodispersed AgNPs is considered to have potential applications in sensors, catalysis, batteries and electronic devices. (C) 2011 Elsevier B.V. All rights reserved.

}, keywords = {antibacterial activity, Conducting poly(aniline), In situ polymerization, Nanocomposite}, issn = {0927-7765}, doi = {10.1016/j.colsurfb.2011.11.006}, author = {Tamboli, Mohaseen S. and Kulkarni, Milind V. and Patil, Rajendra H. and Gade, Wasudeo N. and Navale, Shalaka C. and Kale, Bharat B.} } @article { ISI:000298058400005, title = {New approximate method for the stochastic simulation of chemical systems: the representative reaction approach}, journal = {Journal of Computational Chemistry}, volume = {33}, number = {3}, year = {2012}, month = {JAN}, pages = {276-285}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

We have developed two new approximate methods for stochastically simulating chemical systems. The methods are based on the idea of representing all the reactions in the chemical system by a single reaction, i.e., by the representative reaction approach (RRA). Discussed in the article are the concepts underlying the new methods along with flowchart with all the steps required for their implementation. It is shown that the two RRA methods {with the reaction \$ 2A \textbackslashrightarrow B \$ as the representative reaction (RR)} perform creditably with regard to accuracy and computational efficiency, in comparison to the exact stochastic simulation algorithm (SSA) developed by Gillespie and are able to successfully reproduce at least the first two moments of the probability distribution of each species in the systems studied. As such, the RRA methods represent a promising new approach for stochastically simulating chemical systems. (C) 2011 Wiley Periodicals, Inc. J Comput Chem, 2012

}, keywords = {approximate algorithm, Stochastic simulations}, issn = {0192-8651}, doi = {10.1002/jcc.21971}, author = {Kadam, Shantanu and Vanka, Kumar} } @article {42496, title = {New chemodosimetric reagents as ratiometric probes for cysteine and homocysteine and possible detection in living cells and in blood plasma}, journal = {Chemistry a European Journal}, volume = {18}, year = {2012}, month = {NOV}, pages = {15382{\textendash}15393}, abstract = {

In this work, we have rationally designed and synthesized two new reagents (L1 and L2), each bearing a pendant aldehyde functionality. This aldehyde group can take part in cyclization reactions with β- or γ-amino thiols to yield the corresponding thiazolidine and thiazinane derivatives, respectively. The intramolecular charge-transfer (ICT) bands of these thiazolidine and thiazinane derivatives are distinctly different from those of the molecular probes (L1 and L2). Such changes could serve as a potential platform for using L1 and L2 as new colorimetric/fluorogenic as well as ratiometric sensors for cysteine (Cys) and homocysteine (Hcy) under physiological conditions. Both reagents proved to be specific towards Cys and Hcy even in the presence of various amino acids, glucose, and DNA. Importantly, these two chemodosimetric reagents could be used for the quantitative detection of Cys present in blood plasma by using a pre-column HPLC technique. Such examples are not common in contemporary literature. MTT assay studies have revealed that these probes have low cytotoxicity. Confocal laser scanning micrographs of cells demonstrated that these probes could penetrate cell membranes and could be used to detect intracellular Cys/Hcy present within living cells. Thus, the results presented in this article not only demonstrate the efficiency and specificity of two ratiometric chemodosimeter molecules for the quantitative detection of Cys and Hcy, but also provide a strategy for developing reagents for analysis of these vital amino acids in biological samples.

}, keywords = {charge transfer; chemodosimetric detection; cysteine/ homocysteine sensors; fluorescent probes; imaging agents; ratiometric probes}, doi = {10.1002/chem.201201621}, author = {Das, Priyadip and Mandal, Amal Kumar and Chandar, Nellore Bhanu and Baidya, Mithu and Bhatt, Harshad B. and Ganguly, Bishwajit and Ghosh, Sudip K. and Das, Amitava} } @article { ISI:000298672800047, title = {New poly(1,3,4-oxadiazole)s bearing pentadecyl side chains: synthesis and characterization}, journal = {Journal of Applied Polymer Science}, volume = {124}, number = {2}, year = {2012}, month = {APR}, pages = {1281-1289}, publisher = {WILEY-BLACKWELL}, address = {COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA}, abstract = {

The 4-[4{\textquoteright}-(Hydrazinocarbonyl)phenoxy]-2-pentadecylbenzohydrazide was polycondensed with aromatic diacid chlorides viz., terephthalic acid chloride (TPC), isophthalic acid chloride (IPC), and a mixture of TPC : IPC (50 : 50 mol \%) to obtain polyhydrazides which on subsequent cyclodehydration reaction in the presence of phosphoryl chloride yielded new poly(1,3,4-oxadiazole)s bearing flexibilizing ether linkages and pentadecyl side chains. Inherent viscosities of polyhydrazides and poly(1,3,4-oxadiazole)s were in the range 0.530.66 dL g(-1) and 0.490.53 dL g(-1), respectively, indicating formation of medium to reasonably high molecular weight polymers. The number average molecular weights (M-n) and polydispersities (M-w/M-n) of poly(1,3,4-oxadiazole)s were in the range 14,660-21,370 and 2.22.5, respectively. Polyhydrazides and poly(1,3,4-oxadiazole)s were soluble in polar aprotic solvents such as N,N-dimethylacetamide, 1-methyl-2-pyrrolidinone, and N,N-dimethylformamide. Furthermore, poly(1,3,4-oxadiazole)s were also found to be soluble in solvents such as chloroform, dichloromethane, tetrahydrofuran, pyridine, and m-cresol. Transparent, flexible, and tough films of polyhydrazides and poly(1,3,4-oxadiazole)s could be cast from N,N-dimethylacetamide and chloroform solutions, respectively. Both polyhydrazides and poly(1,3,4-oxadiazole)s were amorphous in nature and formation of layered structure was observed due to packing of pentadecyl chains. A decrease in glass transition temperature was observed both in polyhydrazides (143-166 degrees C) and poly(1,3,4-oxadiazole)s (90-102 degrees C) which could be ascribed to internal plasticization effect of pentadecyl chains. The T-10 values, obtained from TG curves, for poly(1,3,4-oxadiazole)s were in the range of 433-449 degrees C indicating their good thermal stability. (C) 2011 Wiley Periodicals, Inc. J Appl Polym Sci 124:1281-1289, 2012

}, keywords = {3, 4-oxadiazole)s, Cashew nut shell liquid, pentadecyl, poly(1, polyhydrazides, thermal stability}, issn = {0021-8995}, doi = {10.1002/app.34682}, author = {More, Arvind S. and Menon, Shamal K. and Wadgaonkar, Prakash P.} } @article { ISI:000308628900033, title = {New synthetic route for 1,2-diketo compounds using unexpected C-C bond cleavage by PCC}, journal = {Tetrahedron Letters}, volume = {53}, number = {39}, year = {2012}, month = {SEP}, pages = {5327-5330}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

An efficient method has been established for the preparation of 1,2-diketones by unexpected C-C bond cleavage in 4-keto-2-hydroxy esters using pyridiniumchlorochromate (PCC). (c) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {1, 2-Diketones, C-C bond cleavage, PCC}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2012.07.095}, author = {Bhosale, Shrikar M. and Momin, Aadil A. and Gawade, Rupesh L. and Puranik, Vedavati G. and Kusurkar, Radhika S.} } @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} } @article { ISI:000299054200028, title = {Nitrogen-rich porous covalent imine network (CIN) material as an efficient catalytic support for C-C coupling reactions}, journal = {Dalton Transactions}, volume = {41}, number = {4}, year = {2012}, month = {DEC}, pages = {1304-1311}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

In an effort to expand the realm of possibilities of nitrogen-rich porous materials that could be used in catalysis, herein we report the synthesis of a new highly nitrogen rich (ca. 45\%) porous covalent imine network (CIN-1) material employing simple Schiff base chemistry and further grafting its surface with palladium. Pd-loaded CIN-1 support acts as a truly heterogeneous catalyst towards Suzuki C-C coupling reaction between aryl halides with arylboronic acids. High surface area and excellent accessibility of the catalytic sites make it very efficient for heterogeneous catalysis. The stability of the catalyst due to intimate contact between nitrogen-rich organic support and metal allows several reuses with only a minor loss in catalytic activity.

}, issn = {1477-9226}, doi = {10.1039/c1dt11350j}, author = {Bhunia, Manas K. and Das, Swapan K. and Pachfule, Pradip and Banerjee, Rahul and Bhaumik, Asim} } @proceedings { ISI:000306973500619, title = {Noble metal ions incorporated in lattice points of perovskites - water gas shift activity of BaCe1-xPtxO3-d}, volume = {1447}, year = {2012}, note = {56th DAE-Solid State Physics Symposium (SSPS), SRM Univ, Kattankulathur, INDIA, DEC 19-23, 2011}, month = {JUN}, pages = {1277-1278}, publisher = {Govt India, Dept Atom Energy (DAE), Board Res Nucl Sci (BRNS)}, address = {2 Huntington Quadrangle, Ste 1no1, Melville, NY 11747-4501 USA}, abstract = {

Recently precious metals supported on oxides were reported to be very promising catalysts for the lower-temperature WGS reaction. Here we report the synthesis of platinum doped barium cerate and its use as catalysts for WGS reaction. It has been found that maximum CO conversion was obtained at 350 degrees C which enhanced after the first cycle. XPS analysis shows that after the first cycle more ionic Platinum species are present on the surface of the catalyst. Neutron diffraction at room temperature shows that the oxygen vacancies are in the O2 position and increases with increasing Pt substitution.

}, keywords = {BaCeO3, Neutron diffraction, Platinum catalysis, WGS reaction}, isbn = {978-0-7354-1044-2}, issn = {0094-243X}, doi = {10.1063/1.4710478}, author = {Jijil, Chamundi P. and Rajarajan, A. K. and Devi, R. Nandini}, editor = {Mittal, R. and Chauhan, A. K. and Mukhopadhyay, R.} } @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:000305112000030, title = {Novel microwave assisted sol-gel synthesis (MW-SGS) and electrochromic performance of petal like h-WO3 thin films}, journal = {Materials Research Bulletin}, volume = {47}, number = {7}, year = {2012}, month = {JUL}, pages = {1787-1793}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Use of domestic microwave oven is first time employed for chemical deposition of nanocrystalline hexagonal WO3 (h-WO3) thin films. Low cost precursors like sodium tungstate, hydrochloric acid, oxalic acid and potassium sulfate signifies cost effectiveness of this thin film fabrication route. Scanning electron microscopy images reveal formation of petal like nanodisks. A number of analytical techniques were used to characterize the WO3 petal like nanodisks, including X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDX). X-ray photoelectron spectroscopy, FT-IR spectroscopy, Raman scattering spectroscopy, UV-visible spectrophotometry and cyclic voltammetry (CV). The X-ray photoelectron spectroscopic studies revealed 2.89 O/W atomic ratio. The electrical transport studies on WO3 thin films show semiconducting behavior with n-type semiconductivity. The value of determined coloration efficiency is 57.90 cm(2)/C. The mechanism of Li+ intercalation and deinercalation in h-WO3 matrix is proposed for enhanced electrochromism. (C) 2012 Elsevier Ltd. All rights reserved.

}, keywords = {Chemical synthesis, Electrochemical properties, Oxides, photoelectron spectroscopy}, issn = {0025-5408}, doi = {10.1016/j.materresbull.2012.03.025}, author = {Kharade, Rohini R. and Patil, K. R. and Patil, P. S. and Bhosale, Popatrao N.} } @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 {42707, title = {Novel ruthenium complexes and their uses in processes for formation and/or hydrogenation of esters, amides and derivatives thereof}, number = {US 14/702,641}, year = {2012}, month = {OCT}, chapter = {US20150284417 A1}, abstract = {

The present invention relates to novel Ruthenium complexes and related borohydride complexes, and their use for (1) hydrogenation of amides (including polyamides) to alcohols and amines; (2) preparing amides from alcohols with amines (including preparing polyamides (e.g., polypeptides) by reacting dialcohols and diamines or by polymerization of amino alcohols); (3) hydrogenation of esters to alcohols (including hydrogenation of cyclic esters (lactones), cyclic di-esters (di-lactones) or polyesters); (4) hydrogenation of organic carbonates (including polycarbonates) to alcohols and of carbamates (including polycarbamates) or urea derivatives to alcohols and amines; (5) dehydrogenative coupling of alcohols to esters; (6) hydrogenation of secondary alcohols to ketones; (7) amidation of esters (synthesis of amides from esters and amines); (8) acylation of alcohols using esters; (9) coupling of alcohols with water to form carboxylic acids; and (10) dehydrogenation of beta-amino alcohols to form pyrazines. The present invention further relates to novel uses of certain pyridine Ruthenium complexes.

}, author = {Milstein, David and Balaraman, Ekambaram and Gunanathan, Chidambaram and Gnanaprakasam, Boopathy and Zhang, Jing} } @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:000305092400004, title = {NOx catalyzed pathway of stratospheric ozone depletion: a coupled cluster investigation}, journal = {Journal of Chemical Theory and Computation}, volume = {8}, number = {6}, year = {2012}, month = {MAY}, pages = {1895-1901}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We report a theoretical investigation on the NOx catalyzed pathways of stratospheric ozone depletion using highly accurate coupled cluster methods. These catalytic reactions represent a great challenge to state-of-the-art ab initio methods, while their mechanisms remain unclear to both experimentalists and theoreticians. In this work, we have used the so-called {\textquoteleft}{\textquoteleft}gold standard of quantum chemistry,{\textquoteright}{\textquoteright} the CCSD(T) method, to identify the saddle points on NOx-based reaction pathways of ozone hole formation. Energies of the saddle points are calculated using the multireference variants of coupled cluster methods. The calculated activation energies and rate constants show good agreement with available experimental results. Tropospheric precursors to stratospheric NOx radicals have been identified, and their potential importance in stratospheric chemistry has been discussed. Our calculations resolve previous conflicts between ab initio and experimental results for a trans nitro peroxide intermediate, in the NOx catalyzed pathway of ozone depletion.

}, issn = {1549-9618}, doi = {10.1021/ct300209s}, author = {Dutta, Achintya Kumar and Vaval, Nayana and Pal, Sourav} } @article { ISI:000323014200005, title = {Nanoparticle size controls aggregation in lamellar nonionic surfactant mesophase}, journal = {Langmuir}, volume = {29}, number = {31}, year = {2013}, month = {AUG}, pages = {9643-9650}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

We show that the size of silica nanoparticles influences the nature of their aggregation in an aqueous solution of a relatively hydrophobic nonionic surfactant, C12E4. We present results for dispersions of silica nanopartides with sizes varying from 8 to 26 nm, in a 75: 25 C12E4/water system, that forms a lamellar phase, L-alpha, at room temperature. Addition of silica particles does not affect the formation of the L-alpha phase. Nanoparticles smaller than about 11 nm aggregate irreversibly in the C12E4/water system. However, nanoparticles larger than about 15 nm aggregate in the L-alpha phase, but are dispersed at temperatures above the L-alpha order-disorder temperature. Thus, in contrast to the smaller particles, aggregation of silica nanopartides larger than about 15 nm is reversible with temperature. We use small-angle neutron scattering (SANS) demonstrate that these results can be explained by the size-dependent wrapping of nanoparticles by surfactant bilayers. Larger particles, above 15 nm in size, are sterically stabilized by the formation of an adsorbed surfactant bilayer. The cost of bilayer bending inhibits adsorption onto the highly curved surfaces of smaller particles, and these {\textquoteleft}{\textquoteleft}bare{\textquoteright}{\textquoteright} particles aggregate irreversibly.

}, issn = {0743-7463}, doi = {10.1021/la4021977}, author = {Venugopal, Edakkal and Aswal, Vinod K. and Kumaraswamy, Guruswamy} } @article { ISI:000318315100006, title = {Nanostructured crystalline comb polymer of perylenebisimide by directed self-assembly: poly(4-vinylpyridine)-pentadecylphenol perylenebisimide}, journal = {Advanced Functional Materials}, volume = {23}, number = {16}, year = {2013}, month = {APR}, pages = {2033-2043}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Well defined nanostructured polymeric supramolecular assemblies are formed when an asymmetric perylenebisimide substituted with ethylhexyl chains on one end and functionalized with 3-pentadecylphenol at the other termini (PDP-UPBI) is complexed with poly(4-vinylpyridine) (P4VP) via a non-covalent specific interaction such as hydrogen-bonding. The resulting P4VP(PDP-UPBI)(n) complexes are fully solution processable. The bulk structure and morphologies of the supramolecular film studied using small angle and wide angle X-ray scattering reveals highly crystalline nature of the complex. Thin film morphology of the 1:1 complex analyzed using transmission electron microscopy shows uniform lamellar structures in the domain range of 5-10 nm. A clear trend of improved electrical parameters in P4VP(PDP-UPBI) system compared to pristine (PDP-UPBI) is observed from space charge limited current measurements. In short, a simple and facile method to obtain spatially defined organization of n-type semiconductor perylenebisimide molecules using hydrogen bonding interactions with P4VP as the structural motif is showcased herein.

}, issn = {1616-301X}, doi = {10.1002/adfm.201202366}, author = {Narayan, Rekha and Kumar, Prashant and Narayan, K. S. and Asha, S. K.} } @article { ISI:000314748100011, title = {Necking in extrusion film casting: the role of macromolecular architecture}, journal = {Journal of Rheology}, volume = {57}, number = {2}, year = {2013}, month = {MAR}, pages = {559-583}, publisher = {JOURNAL RHEOLOGY AMER INST PHYSICS}, address = {STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA}, abstract = {

Extrusion film casting (EFC) is used on an industrial scale to produce several thousand tons of polymer films and coatings. While significant research has been carried out on necking of films of viscoelastic melts in EFC, the influence of macromolecular chain architecture on the necking behavior is not yet fully understood. In the present research, we have explored experimentally and theoretically the effects of long chain branching and molecular weight distribution on the extent of necking during EFC. Polyethylenes of essentially linear architecture but having narrow and broad molecular weight distributions, and polyethylenes having long chain branching were used for experimental studies. The EFC process was analyzed using the one-dimensional flow model of Silagy et al. [Polym. Eng. Sci. 36(21), 2614-2625 (1996)] in which multimode molecular constitutive equations namely the {\textquoteleft}{\textquoteleft}extended pom-pom{\textquoteright}{\textquoteright} equation (for long chain branched polymer melts) and the {\textquoteleft}{\textquoteleft}Rolie-Poly (Rouse linear entangled polymers){\textquoteright}{\textquoteright} equation (for linear polymer melts) were incorporated. We show that the model qualitatively captures the salient features of the experimental data thereby elucidating the role of chain architecture on the extent of necking. (C) 2013 The Society of Rheology. [http://dx.doi.org/10.1122/1.4788911]

}, issn = {0148-6055}, doi = {10.1122/1.4788911}, author = {Pol, Harshawardhan V. and Thete, Sumeet Suresh and Doshi, Pankaj and Lele, Ashish K.} } @article { ISI:000323475400001, title = {New 2,2-diphenylpropane and ethoxylated aromatic monoterpenes from Lavandula gibsoni (Lamiaceae)}, journal = {Natural Product Research}, volume = {27}, number = {15}, year = {2013}, month = {AUG}, pages = {1323-1329}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

A new substituted 2,2-diphenylpropane (1) and two new ethoxylated aromatic monoterpene alcohols (2 and 4) have been isolated from the acetone extract of the aerial parts of Lavandula gibsoni, along with the known compounds 8-hydroxycarvacrol (3), 8-hydroxythymol (5), coumarin (6), 4-methylresorcinol (7), 7,4-dimethylapigenin (8), salvigenin (9), -sitosteryl-3-O{\textendash}D-glucopyranosyl-6-O-palmitate (10) and euscaphic acid D (11). The structures of the isolated compounds were assigned on the basis of their H-1- and C-13-NMR spectra and two-dimensional NMR techniques, which included COSY, HSQC, HMBC and NOESY experiments and comparison with the reported literature.

}, keywords = {2, 2-diphenylpropane, aromatic monoterpene alcohols, Lamiaceae, Lavandula gibsoni}, issn = {1478-6419}, doi = {10.1080/14786419.2012.738203}, author = {Kulkarni, Roshan R. and Joshi, Swati P.} } @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:000326465600015, title = {New dipyranocoumarin from the leaves of calophyllum apetalum willd}, journal = {Natural Product Research}, volume = {27}, number = {20}, year = {2013}, month = {OCT}, pages = {1896-1901}, publisher = {TAYLOR \& FRANCIS LTD}, address = {4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND}, abstract = {

A new dipyranocoumarin, -hydroxytomentolide A (1) was isolated from the leaves of Calophyllum apetalum together with the known compounds friedelin (2), apetalactone (3), inophyllum C (4) and canophyllol (5). The structure of the new compound was established by spectroscopic studies which include H-1 NMR, C-13 NMR, NOESY, HetCOSY, COLOC experiments and single crystal X-ray diffraction analysis.

}, keywords = {-hydroxytomentolide A, Calophyllum apetalum, dipyranocoumarins, Guttiferae, Triterpenoids}, issn = {1478-6419}, doi = {10.1080/14786419.2013.784869}, author = {Joshi, Swati P. and Kulkarni, Smita R. and Phalgune, Usha D. and Puranik, Vedavati G.} } @article { ISI:000327312400019, title = {New enantioselective synthesis of the anticonvulsant drug pregabalin (lyrica) based on a hydrolytic kinetic resolution method}, journal = {Chirality}, volume = {25}, number = {12}, year = {2013}, month = {DEC}, pages = {965-969}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A practical and efficient enantioselective synthesis of the anticonvulsant drug pregabalin is described for the first time using Jacobsen{\textquoteright}s hydrolytic kinetic resolution of a terminal epoxide as a key step and a source of chirality. Chirality 25:965-969, 2013. (c) 2013 Wiley Periodicals, Inc.

}, keywords = {anticonvulsant drug, Hydrolytic kinetic resolution, pregabalin}, issn = {0899-0042}, doi = {10.1002/chir.22253}, author = {Mujahid, Mohammad and Muthukrishnan, Murugan} } @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:000327360600071, title = {New porous material to enhance the kinetics of clathrate process: application to precombustion carbon dioxide capture}, journal = {Environmental Science \& Technology}, volume = {47}, number = {22}, year = {2013}, month = {NOV}, pages = {13191-13198}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

In this work, the performance of a new porous medium, polyurethane (PU) foam in a fixed bed reactor for carbon dioxide separation from fuel gas mixture using the hydrate based gas separation process is evaluated. The kinetics of hydrate formation in the presence of 2.5 mol \% propane as thermodynamic promoter was investigated at 4.5, 5.5, and 6.0 MPa and 274.2 K. Significantly higher gas consumption and water conversion to hydrate was achieved when PU foam was employed. PU foam as a porous medium can help convert 54\% of water to hydrate in two hours of hydrate formation. In addition the induction times were very low (\<3.67 min at 6.0 MPa). A normalized rate of hydrate formation of 64.48 (+/- 3.82) mol.min(-1).m(-3) was obtained at 6.0 MPa and 274.2 K. Based on a morphological study, the mechanism of hydrate formation from water dispersed in interstitial pore space of the porous medium is presented. Finally, we propose a four step operation of the hydrate based gas separation process to scale up.

}, issn = {0013-936X}, doi = {10.1021/es403516f}, author = {Babu, Ponnivalavan and Kumar, Rajnish and Linga, Praveen} } @article { ISI:000324928000035, title = {New receptor with a FRET based fluorescence response for selective recognition of fumaric and maleic acids in aqueous medium}, journal = {Chemical Communications}, volume = {49}, number = {84}, year = {2013}, month = {AUG}, pages = {9818-9820}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Preferential binding of a new reagent to fumaric acid could be utilized for its estimation in aqueous medium and in commercial fruit juice.

}, issn = {1359-7345}, doi = {10.1039/c3cc45051a}, author = {Reddy, Upendar G. and Lo, Rabindranath and Roy, Sovan and Banerjee, Tanmay and Ganguly, Bishwajit and Das, Amitava} } @article {42491, title = {Newly designed resorcinolate binding for Ru(II)- and Re(I)- polypyridyl complexes on oleic acid capped tio2 in non-aqueous solvent: prolonged charge separation and substantial thermalized 3MLCT injection}, journal = {Journal of Physical Chemistry C}, volume = {117}, year = {2013}, month = {JAN}, pages = {3084{\textendash}3092}, abstract = {

Femtosecond pump{\textendash}probe spectroscopic studies on a series of newly synthesized resorcinol-based Ru(II) and Re(I) complexes on oleic acid capped TiO2 nanoparticles have been carried out in chloroform, and the results are compared with those of the catechol analogues. The ruthenium complex shows biexponential injection; the second component arises due to injection from the thermally equilibrated 3MLCT states as a result of a weaker strength of the resorcinolate binding. Also, in comparison with catechol binding, as a result of a greater diffusion of the injected electrons into TiO2, the back electron transfer (BET) is slowed down significantly for the ruthenium complex. These are distinctive observations for any mononuclear ruthenium{\textendash}polypyridyl{\textendash}enediol complex reported thus far. However, the rhenium complex educes single exponential ultrafast injection (\<120 fs) because of apparent injection in a high density of states and shows the most prominent results with \~{}50\% slowdown in the charge recombination rate as compared to the analogous catechol bound system. These results exemplify the probable development of highly capable sensitizer dyes with resorcinol as the anchoring group for the development of efficient dye-sensitized solar cells.

}, doi = {10.1021/jp310570n}, author = {Banerjee, Tanmay and Kaniyankandy, Sreejith and Das, Amitava and Ghosh, Hirendra Nath} } @article { ISI:000317327900086, title = {NHC-Catalyzed reaction of enals with hydroxy chalcones: diastereoselective synthesis of functionalized coumarins}, journal = {Organic Letters}, volume = {15}, number = {7}, year = {2013}, month = {APR}, pages = {1756-1759}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

The N-heterocyclic carbene-catalyzed annulation of enals with 2{\textquoteright}-hydroxy chalcones afford cyclopentane-fused coumarin derivatives with an excellent level of diastereocontrol. The reaction tolerates a broad range of functional groups; 25 examples are given, and a preliminary mechanistic investigation is provided.

}, issn = {1523-7060}, doi = {10.1021/ol400562z}, author = {Bhunia, Anup and Patra, Atanu and Puranik, Vedavati G. and Biju, Akkattu T.} } @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:000316969500085, title = {Non-monotonic size dependence of diffusion and levitation effect: a mode-coupling theory analysis}, journal = {Journal of Chemical Physics}, volume = {138}, number = {12}, year = {2013}, month = {MAR}, pages = {124505}, 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 present a study of diffusion of small tagged particles in a solvent, using mode coupling theory (MCT) analysis and computer simulations. The study is carried out for various interaction potentials. For the first time, using MCT, it is shown that only for strongly attractive interaction potential with allowing interpenetration between the solute-solvent pair the diffusion exhibits a non-monotonic solute size dependence which has earlier been reported in simulation studies [P. K. Ghorai and S. Yashonath, J. Phys. Chem. B 109, 5824-5835 (2005)]. For weak attractive and repulsive potential the solute size dependence of diffusion shows monotonic behaviour. It is also found that for systems where the interaction potential does not allow solute-solvent interpenetration, the solute cannot explore the neck of the solvent cage. Thus these systems even with strong attractive interaction will never show any non-monotonic size dependence of diffusion. This non-monotonic size dependence of diffusion has earlier been connected to levitation effect [S. Yashonath and P. Santikary, J. Phys. Chem. 98, 6368 (1994)]. We also show that although levitation is a dynamic phenomena, the effect of levitation can be obtained in the static radial distribution function. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4796232]

}, issn = {0021-9606}, doi = {10.1063/1.4796232}, author = {Nandi, Manoj Kumar and Banerjee, Atreyee and Bhattacharyya, Sarika Maitra} } @article { ISI:000325950600094, title = {Novel and efficient synthesis of azaarene-substituted 3-hydroxy-2-oxindoles via sp(3) C-H functionalization of 2-methyl azaarenes and (2-azaaryl)methanes over a heterogeneous, reusable silica-supported dodecatungstophosphoric acid catalyst}, journal = {RSC Advances}, volume = {3}, number = {43}, year = {2013}, month = {AUG}, pages = {20281-20286}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A novel and efficient protocol has been developed for the synthesis of azaarene-substituted 3-hydroxy-2-oxindoles via sp(3) C-H functionalization of 2-methyl azaarenes and (2-azaaryl)methanes with isatin in good to excellent yield. This is the first example in which heterogeneous, reusable silica supported dodecatungstophosphoric acid (DTP/SiO2) catalyzed sp(3) C-H functionalization of 2-substituted azaarenes and (2-azaaryl)methanes.

}, issn = {2046-2069}, doi = {10.1039/c3ra43515f}, author = {Mulla, Shafeek Abdul Rashid and Pathan, Mohsinkhan Y. and Chavan, Santosh S.} } @conference { ISI:000317266700656, title = {Novel, band-controlled metal oxide compositions for semiconductor-mediated photocatalytic splitting of water to produce H-2}, booktitle = { 57th DAE Solid State Physics Symposium}, series = {AIP Conference Proceedings}, volume = {1512}, year = {2013}, note = {57th DAE Solid State Physics Symposium, Indian Inst Technol, Bombay, INDIA, DEC 03-07, 2012}, month = {FEB}, pages = {1321}, publisher = {Gov India, Dept Atom Energy (DAE), Board Res Nucl Sci (BRNS)}, organization = {Gov India, Dept Atom Energy (DAE), Board Res Nucl Sci (BRNS)}, address = {Indian Institute of Bombay, India }, isbn = {978-0-7354-1133-3}, issn = {0094-243X}, doi = {10.1063/1.4791546}, author = {Gupta, Narendra M.}, editor = {Chauhan, A. K. and Murli, C. and Gadkari, S. C.} } @article {43364, title = {Novel green bio-milling technique for the synthesis of BaTiO3 nanoparticle using Saccharomyces cerevisiae}, journal = {International Journal of Innovative Biological Research}, volume = {2}, year = {2013}, month = {JAN}, pages = {1-5}, abstract = {The development of a novel green top-down approach called bio-milling for synthesizing the oxide nanomaterials is an issue of topical interest. While a number of chemical processes are energy intensive and involve toxic chemicals. Here we report, at room temperature, bio-milling of chemically synthesized barium titinate (BaTiO3) particles by challenging the fungus Saccharomyces cerevisiae against aqueous solution of BaTiO3 to synthesize the biogenic nanoparticles. The extracellular breaking of microscaled BaTiO3 particles by extracellular biomolecules/proteins secreted by the fungus under stressed condition results in the formation of particles in nanoregime. XRD spectra and TEM analysis showed that BaTiO3 particles reduce to their size during the interaction with the fungus Saccharomyces cerevisiae and maintaining their phase and crystallinity after bio-milling process.}, author = {Uddin, Imran and Jaiswal, Adhish and Poddar, Pankaj} } @article { ISI:000323761100009, title = {Novel mechanism for antiglycative action of limonene through stabilization of protein conformation}, journal = {Molecular Biosystems}, volume = {9}, number = {10}, year = {2013}, month = {JUN}, pages = {2463-2472}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Inhibition of protein glycation is known to ameliorate secondary complications in diabetes. In the present study antiglycative properties of limonene, a natural product, were evaluated using BSA as a model protein. AMG (aminoguanidine) was used as a positive control. Measurement of total AGEs (Advanced Glycation End-products) and specific AGEs revealed that limonene could inhibit protein glycation to the extent of 56.3\% and 75.1\% respectively at 50 mu M concentration as against 54.4\% and 82.2\% by AMG at 1 mM. Congo red binding and CD (Circular Dichroism) analysis revealed inhibition of alpha-helix to beta-sheet transition wherein 18.5\% beta-sheet structures were observed in glycated BSA (bovine serum albumin) as against 4.9\% with limonene. Glycation of protein in the presence of urea was enhanced by 18\%, while in the presence of limonene it was reduced by 23\% revealing the stabilizing effect of limonene. Electrophoretic mobility was similar to the normal control and a zeta potential value of -12.1 mV as against -15.1 mV in diabetic control was observed. Inhibition of glycation in limonene treated samples was confirmed through LC-MS analysis wherein AGEs such as pentosidine, CML (N-epsilon-(carboxymethyl)lysine), CEL (N-epsilon-(carboxyethyl) lysine), MOLD (methylglyoxal-lysine dimer) and imidazolone observed in glycated samples were absent in limonene treated samples. PatchDock studies revealed that limonene could bind to the major glycation sites IB, IIA and IIB sub domains and AMG to the IIIA sub domain. Thus limonene is a potent protein glycation inhibitor that prevents protein glycation through a novel mechanism of stabilization of protein structure through hydrophobic interactions.

}, issn = {1742-206X}, doi = {10.1039/c3mb00020f}, author = {Joglekar, Madhav M. and Panaskar, Shrimant N. and Chougale, Ashok D. and Kulkarni, Mahesh J. and Arvindekar, Akalpita U.} } @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:000332061300050, title = {Nanocomposite of silver and thermo-associating polymer by a green route: a potential soft-hard material for controlled drug release}, journal = {RSC Advances}, volume = {4}, number = {20}, year = {2014}, month = {JAN}, pages = {10261-10268}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Major research efforts are continuously being made to look for alternative, environment friendly green chemicals for the synthesis of nanoparticles in place of conventional and hazardous reducing agents such as sodium borohydride and hydrazine. We report here on the synthesis and characterization of AgNPs using a thermo-associating polymer namely, carboxymethyl guar grafted poly(ethylene oxide-co-propylene oxide) [CMG-g-PEPO]. The polymer acts as both reducing agent as well as stabilizing/capping agent. The formation of AgNPs with polymer was confirmed by UV/Vis spectroscopy and the TEM images indicated the size of nanoparticles to be in the range of 10-20 nm. We also demonstrated the use of these nanoparticles in the controlled release of doxorubicin hydrochloride (Dox), an anticancer drug. The binding of Dox onto the polymer and AgNPs was investigated by XPS and Raman spectroscopy which indicates that a charge-transfer mechanism is operative between the Dox and polymer holding both the entities together. The first synthesis of AgNPs using non-toxic thermo-associating polymer and subsequent release of Dox with body temperature (37 degrees C) as a trigger is the highlight of the present work.

}, issn = {2046-2069}, doi = {10.1039/c3ra45022h}, author = {Gupta, Nivika R. and Bhagavatula L. V. Prasad and Gopinath, Chinnakonda S. and Badiger, Manohar V.} } @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:000337123100037, title = {Nanophase CulnS(2) nanosheets/CuS composite grown by the SILAR method leads to high performance as a counter electrode in dye sensitized solar cells}, journal = {RSC Advances}, volume = {4}, number = {42}, year = {2014}, month = {MAY}, pages = {21989-21996}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Single phase CulnS(2) (CIS) nanosheets are synthesized on TiO2 coated FTO by the simple technique of Successive Ionic Layer Adsorption Reaction (SILAR) followed by annealing at 500 degrees C. Annealing at a lower temperature of 250 degrees C is found to yield CuS nanoparticles in addition to the CIS phase. Both single phase CIS and the CuS/CIS nanocomposite were examined as counter electrodes for a dye-sensitized solar cell (DSSC). The CIS-CuS composite is found to have a synergistic effect on the catalytic performance toward the reduction of tri-iodide, yielding a power conversion efficiency of 6.3\% as compared to pristine CIS (5\%) or CuS (3.5\%). The possible reasons behind the high performance of the composite are elucidated using cyclic voltammetry (CV) measurements and electrochemical impedance spectroscopy (EIS).

}, issn = {2046-2069}, doi = {10.1039/c4ra01740d}, author = {Bhosale, Reshma K. and Agarkar, Shruti A. and Agrawal, Ishita and Naphade, Rounak A. and Ogale, Satishchandra} } @article { ISI:000333203900024, title = {Nanoporous graphene by quantum dots removal from graphene and its conversion to a potential oxygen reduction electrocatalyst via nitrogen doping}, journal = {Energy \& Environmental Science}, volume = {7}, number = {3}, year = {2014}, month = {MAR}, pages = {1059-1067}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A simple way to produce an efficient metal-free oxygen reduction electrocatalyst from graphene by generating nanopores in the matrix and subsequently establishing nitrogen-doped active sites along the pore openings is demonstrated. Well-structured nanoporous graphene (pGr) and photoluminescent graphene quantum dots (GQDs) could be simultaneously generated by a chemically assisted oxidative treatment of graphene. The process helped to knock out small pieces of Gr through epoxide formation, which subsequently resulted in the generation of GQD and pGr simultaneously. A longer oxidation time increased the quantity of GQDs and also resulted in a higher photoluminescent (PL) quantum yield. The PL quantum yield of GQD formed after 72 h of the oxidative treatment (GQD-72) was 15.8\%, which is greater than the previous reported values. The TEM images showed matching sizes for GQDs and the pores present in pGr, implying that the pores are generated by the removal of GQDs from graphene during the oxidative treatment. Since pore openings are expected to give higher levels of unsaturation and defect sites in the system and are thus being treated as fertile regions for heteroatom doping, pGr-72 was further subjected to nitrogen (NpGr-72). NpGr-72 displayed excellent activity towards the electrochemical oxygen reduction reaction (ORR) compared to nitrogen-doped non-porous graphene (NGr) and many other reported nitrogen-doped carbon materials. A distinct 50 mV gain in the overpotential and 2.5 times increment in the kinetic current density (j(k)) have been achieved in the case of NpGr-72 compared to NGr. Interestingly, unlike NGr, NpGr-72 effectively reduced the oxygen molecule with a greater involvement of the preferred four-electron pathway. Additionally, the overpotential difference of NpGr-72 with respect to 20 wt\% Pt/C is only 60 mV. Additionally, in a single cell evaluation under anion exchange membrane fuel cell (AEMFC) conditions, NpGr-72 exhibited a maximum power density of 27 mW cm(-2), which is significantly higher than the corresponding value of 10 mW cm(-2) obtained for NGr. Thus, the overall enhancement in the performance characteristics of NpGr-72 is attributed to the higher content of nitrogen (7.8 wt\%) and its large proportion of desired chemical environment, which could be established by utilizing the high level of carbon unsaturation around the pore openings.

}, issn = {1754-5692}, doi = {10.1039/c3ee43648a}, author = {Palaniselvam, Thangavelu and Valappil, Manila Ozhukil and Illathvalappil, Rajith and Kurungot, Sreekumar} } @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 {42587, title = {Naphthalene diimide copolymers with oligo(p-phenylenevinylene) and benzobisoxazole for balanced ambipolar charge transport}, journal = {Macromolecules}, volume = {47}, year = {2014}, month = {MAR}, pages = {2296{\textendash}2305}, abstract = {

A series of alternating and random donor (D){\textendash}acceptor (A) copolymers based on naphthalene diimide (NDI) as the acceptor and oligo(p-phenylenevinylene) (OPV) or benzobisoxazole (BBO) as the strong and weak donor, respectively, were designed and synthesized by Suzuki coupling and Horner{\textendash}Wadsworth{\textendash}Emmons polymerization. The effect of the varying donor strength of OPV and BBO on the photophysical, electrochemical, and semiconducting properties of the polymers was investigated. Absorption and emission spectra recorded for dilute chloroform solution and thin film showed increased intramolecular charge transfer for NDI-alt-OPV polymer compared to NDI-alt-BBO polymer. Cyclic voltammetry studies along with DFT (density functional theory) studies at the B3LYP/6-31g* level gave insight into the energy level (HOMO/LUMO) and molecular orientation of donor and acceptor along the polymer backbone. NDI-alt-OPV polymer exhibited rigid coplanar structure with extended π-conjugation which induced backbone planarity and crystallinity to the polymer. The inherent poor solubility of the NDI-alt-BBO prevented further device characterization of this polymer. Random copolymer having maximum 30\% incorporation of BBO comonomer in NDI-r-OPV/BBO was found to be soluble for further characterization. Compared to NDI-alt-OPV, lowering of both energy levels LUMO (\~{}0.2 eV) and HOMO (\~{}0.5 eV) was observed for both NDI-alt-BBO and the NDI-r-OPV/BBO. Bottom gate{\textendash}top contact organic field effect transistors (OFETs) of NDI-alt-OPV exhibited balanced ambipolar charge transport with average electron and hole mobility of 3.09 {\texttimes} 10{\textendash}3 cm2 V{\textendash}1 s{\textendash}1 and 2.1 {\texttimes} 10{\textendash}3 cm2 V{\textendash}1 s{\textendash}1, respectively, whereas the random copolymer incorporating both OPV and BBO units NDI-r-OPV/BBO showed dominant n-type charge transport with moderate 4 {\texttimes} 10{\textendash}4 cm2 V{\textendash}1 s{\textendash}1 average electron mobility. The present work thus highlights the structure{\textendash}property relationship and the electronic tunability required in this class of NDI-based polymers to produce ambipolar transistors.

}, doi = {10.1021/ma5001145}, author = {Kolhe, Nagesh B. and Ashar, A. Z. and Narayan, K. S. and Asha, S. K.} } @article { ISI:000343819200016, title = {Nature of the active site in ziegler-natta olefin polymerization catalysis systems - a computational investigation}, journal = {European Journal of Inorganic Chemistry}, number = {29}, year = {2014}, month = {OCT}, pages = {5063-5076}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Pull quantum chemical calculations with density functional theory (DET) show that a principal role of donors in Ziegler-Nana (ZN) oh-din polymerization catalysts is to coordinate to the metal center at the active sites on the MgCl2 surface. Thereby, the behavior of the catalyst is modulated to favor insertion over termination and, thus, polymerization occurs. This is shown to be true for a range of different donors. The calculations indicate that active sites that feature anionic chloride ligands at the titanium center (the conventional model for the active site) would lead to lower-molecular-weight riolymers. If an -OC2H5 group were present instead of a chloride ligand, the active site would much more effectively produce long chain polymers. Therefore, the current work provides important new insights into the nature of the ZN polymerization process.

}, keywords = {Alkene polymerization, Density functional calculations, heterogeneous catalysis, Insertion, Polymers}, issn = {1434-1948}, doi = {10.1002/ejic.201402180}, author = {Kumawat, Jugal and Gupta, Virendra Kumar and Vanka, Kumar} } @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:000336700700003, title = {New enantioselective synthesis of (S)-2-ethoxy-3-(4-hydroxyphenyl)Propanoic acid esters (EEHP and IEHP), useful pharmaceutical intermediates of PPAR agonists}, journal = {Tetrahedron Letters}, volume = {55}, number = {21}, year = {2014}, month = {MAY}, pages = {3223-3226}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

A new enantioselective synthetic route to the title compounds has been developed in a simple and practical way with high enantiopurity using commercially available starting material. (C) 2014 Elsevier Ltd. All rights reserved.

}, keywords = {EEHP, Epoxide, IEHP, PPAR agonists}, issn = {0040-4039}, doi = {10.1016/j.tetlet.2014.04.021}, author = {Mujahid, Mohammad and Kunte, S. S. and Muthukrishnan, Murugan} } @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:000328952500034, title = {New insights into small molecule activation by acyclic silylenes: a computational investigation}, journal = {Dalton Transactions}, volume = {43}, number = {5}, year = {2014}, month = {NOV}, pages = {2194-2201}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Recently synthesized acyclic silylenes have the potential to rival transition metal complexes in performing single site small molecule activation, which is significant because of the need to find cheap and green alternatives to transition metal complexes for this important class of reactions. However, the current computational study, a full quantum chemical investigation with density functional theory, demonstrates that undesired side reactions would be competitive in these systems during small molecule activation. The current investigation, in addition to shedding light on this problem, also provides solutions on how the undesired side reactions during small molecule activation can be avoided.

}, issn = {1477-9226}, doi = {10.1039/c3dt52817k}, author = {Kuriakose, Nishamol and Vanka, Kumar} } @article { ISI:000343847700007, title = {New organocatalyst derived from abietic acid and 4-hydroxy-L-proline for direct asymmetric aldol reactions in aqueous media}, journal = {Tetrahedron-Asymmetry}, volume = {25}, number = {18-19}, year = {2014}, month = {OCT}, pages = {1292-1297}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, type = {Article}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

Enantioselective direct aldol reactions were carried out in aqueous media with a new organocatalyst that was derived from 4-hydroxy-L-proline and abietic acid via a simple and convenient synthetic protocol with a high overall yield (75\%). The new organocatalyst was used for aldol reactions between substituted aromatic aldehydes and various ketones in the presence of several acid additives in aqueous media. The corresponding aldol products were obtained in high isolated yields (up to 99\%) and with high anti-diastereoselectivities (up to 94\%) and enantioselectivities (\>99.9\%). The catalyst loading can be efficiently reduced to only 1 mol \%. The aldol reactions were found to be extremely fast which is very unusual in organocatalyzed reactions in water. (C) 2014 Elsevier Ltd. All rights reserved.

}, issn = {0957-4166}, doi = {10.1016/j.tetasy.2014.07.012}, author = {Bhowmick, Sudipto and Kunte, Sunita S. and Bhowmick, Kartick C.} } @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:000344459400014, title = {N-Heterocyclic carbene-catalyzed enantioselective synthesis of functionalized cyclopentenes via alpha,beta-unsaturated acyl azoliums}, journal = {Chemical Communications}, volume = {50}, number = {93}, year = {2014}, month = {OCT}, pages = {14539-14542}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Highly enantioselective NHC-organocatalyzed synthesis of functionalized cyclopentenes proceeding via alpha,beta-unsaturated acyl azolium intermediates is reported. The organocascade reaction of modified enals with malonic ester derivatives having a gamma-benzoyl group involves the Michael-intramolecular aldol-beta-lactonization-decarboxylation sequence to deliver cyclopentenes in good yields and excellent ee values.

}, issn = {1359-7345}, doi = {10.1039/c4cc07433e}, author = {Mondal, Santigopal and Yetra, Santhivardhana Reddy and Patra, Atanu and Kunte, Sunita S. and Gonnade, Rajesh G. and Biju, Akkattu T.} } @article { ISI:000330799900054, title = {Nickel cobalt sulfide nanoneedle array as an effective alternative to pt as a counter electrode in dye sensitized solar cells}, journal = {RSC Advances}, volume = {4}, number = {16}, year = {2014}, month = {NOV}, pages = {8289-8294}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Self supported nickel cobalt sulfide (NCS) nanoneedles are directly formed on FTO glass substrates by sulphurization of nickel cobalt oxide nanoneedles (grown by a hydrothermal method) in the presence of a hydrogen sulfide and argon gas mixture. These NCS nanoneedles when used as a counter electrode for dye sensitized solar cells (DSSCs) show efficient catalytic activity towards the I-/I-3(-) redox couple, and lead to an impressive efficiency of 6.9\%, compared with 7.7\% obtained with a Pt electrode in similarly constructed devices.

}, issn = {2046-2069}, doi = {10.1039/c3ra45981k}, author = {Banerjee, Abhik and Upadhyay, Kush Kumar and Bhatnagar, Sumit and Tathavadekar, Mukta and Bansode, Umesh P. and Agarkar, Shruti A. and Ogale, Satishchandra B.} } @article { ISI:000341363200040, title = {Nickel ferrite nanoparticles-hydrogen peroxide: a green catalyst-oxidant combination in chemoselective oxidation of thiols to disulfides and sulfides to sulfoxides}, journal = {RSC Advances}, volume = {4}, number = {69}, year = {2014}, month = {JUL}, pages = {36702-36707}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Nickel ferrite nanoparticles-hydrogen peroxide has been demonstrated for the first time as a green and efficient catalyst-oxidant combination in the chemoselective oxidation of thiols to disulfides and sulfides to sulfoxides. This magnetically separable catalyst was found to be reusable for five consecutive runs without appreciable change in the activity, as well as composition of the catalyst. The mechanism for the oxidation of thiols and sulfides has also been proposed.

}, issn = {2046-2069}, doi = {10.1039/c4ra04095c}, author = {Kulkarni, Aparna M. and Desai, Uday V. and Pandit, Kapil S. and Kulkarni, Makarand A. and Wadgaonkar, Prakash P.} } @article { ISI:000344997500118, title = {Nitrogen-doped graphene interpenetrated 3D Ni-nanocages: efficient and stable water-to-dioxygen electrocatalysts}, journal = {Nanoscale}, volume = {6}, number = {21}, year = {2014}, month = {SEP}, pages = {13179-13187}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Herein, we report the synthesis of a nitrogen-doped graphene (NGr) interpenetrated 3D Ni-nanocage (Ni-NGr) electrocatalyst by a simple water-in-oil (w/o) emulsion technique for oxidation of water to dioxygen. Correlation of adsorption of NGr and subsequent interpenetration through the specific surface plane of nickel particles as well as the concomitant interaction of N and C with Ni in the nano-regime has been investigated. Apart from the benefits of the synergistic interactions between Ni, N, and C, the overall integrity of the structure and its intra-molecular connectivity within the framework help in achieving better oxygen evolution characteristics at a significantly reduced overpotential. The engineered Ni-NGr nanocage displays a substantially low overpotential of similar to 290 mV at a practical current density of 20 mA cm(-2) in 0.1 M KOH. In comparison, NGr and Ni-particles as separate entities give overpotentials of similar to 570 and similar to 370 mV under similar conditions. Moreover, the long term stability of Ni-NGr was investigated by anodic potential cycling for 500 cycles and an 8.5\% increment in the overpotential at 20 mA cm(-2) was observed. Additionally, a chronoamperometric test was performed for 15 h at 20 mA cm(-2), which highlights the better sustainability of Ni-NGr under the actual operating conditions. Finally, the quantitative estimation of evolved oxygen was monitored by gas chromatography and was found to be 70 mmol h(-1) g(-1) of oxygen, which is constant in the second cycle as well.

}, issn = {2040-3364}, doi = {10.1039/c4nr03578j}, author = {Dhavale, Vishal M. and Gaikwad, Sachin S. and George, Leena and Devi, R. Nandini and Kurungot, Sreekumar} } @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:000329101700009, title = {Nonisothermal analysis of extrusion film casting process using molecular constitutive equations}, journal = {Rheologica Acta}, volume = {53}, number = {1}, year = {2014}, month = {JAN}, pages = {85-101}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

Extrusion film casting (EFC) is a commercially important process that is used to produce several thousand tons of polymer films and coatings. In a recent work, we demonstrated the influence of polymer chain architecture on the extent of necking in an isothermal film casting operation (Pol et al., J Rheol 57:559-583, 2013). In the present research, we have explored experimentally and theoretically the effects of long-chain branching on the extent of necking during nonisothermal film casting conditions. Polyethylenes of linear and long-chain branched architectures were used for experimental studies. The EFC process was analyzed using the 1-D flow model of Silagy et al. (Polym Eng Sci 36:2614-2625, 1996) in which the energy equation was introduced to model nonisothermal effects, and two multimode constitutive equations, namely the {\textquoteleft}{\textquoteleft}extended pom-pom{\textquoteright}{\textquoteright} (XPP, for long-chain branched polymer melts) equation and the {\textquoteleft}{\textquoteleft}Rolie-Poly stretch version{\textquoteright}{\textquoteright} (RP-S, for linear polymer melts) equation, were incorporated to account for the effects of polymer chain architecture. We show that the model does a better job of capturing the qualitative features of the experimental data, thereby elucidating the role of chain architecture and nonisothermal conditions on the extent of necking.

}, keywords = {Branched, Extrusion, Film, Linear, Necking, Nonisothermal, Polyethylene}, issn = {0035-4511}, doi = {10.1007/s00397-013-0739-x}, author = {Pol, Harshawardhan and Banik, Sourya and Azad, Lal Busher and Thete, Sumeet Suresh and Doshi, Pankaj and Lele, Ashish K.} } @article { ISI:000341287200025, title = {Nonstoichiometric calcium pyrophosphate: a highly efficient and selective catalyst for dehydration of lactic acid to acrylic acid}, journal = {RSC Advances}, volume = {4}, number = {63}, year = {2014}, month = {JUL}, pages = {33319-33326}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Calcium phosphate catalysts were prepared by co-precipitation method using calcium nitrate and mixtures of ammonium and different sodium phosphates as calcium and phosphate precursors, respectively. Depending on the phosphate precursor, the pH of the synthesis mixture changed during the catalyst precipitation. The catalyst characterisation by XRD and ICP revealed the formation of a calcium pyrophosphate structure with varying Ca/P ratio from 1.02 to 0.76 which could be correlated to the different pH of the synthesis solutions. Vapour phase dehydration of lactic acid to acrylic acid was carried out using these calcium pyrophosphate catalysts. Non-stoichiometric calcium pyrophosphate catalyst with Ca/P ratio 0.76 was found to be the most efficient catalyst among the synthesized series with 100\% lactic acid conversion and 78\% acrylic acid selectivity at 375 degrees C. The higher selectivity for acrylic acid has been correlated to the increased acidity and reduced basicity of non-stoichiometric calcium pyrophosphate compared to other stoichiometric pyrophosphates. In situ FTIR studies showed the formation of a higher amount of calcium lactate on non-stoichiometric compared to stoichiometric pyrophosphate leading to higher selectivity for acrylic acid.

}, issn = {2046-2069}, doi = {10.1039/c4ra06429a}, author = {Ghantani, Vidhya C. and Dongare, Mohan K. and Shubhangi B. Umbarkar} } @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:000334895800011, title = {Novel catalysts for valorization of biomass to value-added chemicals and fuels}, 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 = {403-413}, publisher = {Catalysis Soc India}, address = {C V RAMAN AVENUE, SADASHIVANAGAR, P B \#8005, BANGALORE 560 080, INDIA}, abstract = {

Key furan compounds such as 5-hydroxymethylfurfural (HMF), 2,5-furandicarboxylic acid (FDCA) and 2,5-dimethylfuran (DMF) were synthesized from renewable feedstocks. Dehydration of fructose was carried out in biphasic conditions employing several solid acid catalysts by targeting selective formation of HMF. Its selectivity is linearly dependent on total acidity clearly revealing that lower acidity favours selective formation of HMF. Oxidation and hydrogenolysis of HMF has been explored using 2 wt\% Ru-K-OMS-2. The catalysts used for each transformation were subjected to detailed characterization using XRD, BET surface area, temperature-programmed desorption and transmission electron microscopy. The effect of various reaction parameters was also investigated for obtaining high yields of desired chemical intermediates. High FDCA yields of 93.4 mol\% and 66 mol\% were achieved in alkaline and base-free conditions, respectively. The 2 wt\% Ru-K-OMS-2 is a versatile catalyst as it also catalyses HMF hydrogenolysis giving 33 mol\% of DMF. Thus, utility of various novel materials as catalysts has been demonstrated in the multistep transformations of hexoses to furan-based fuels and chemicals.

}, keywords = {2, 5-dimethylfuran, 5-furan dicarboxylic acid, 5-hydroxymethyl furfural, dehydration, fructose}, issn = {0974-3626}, author = {Lucas, Nishita and Kanna, Narasimha Rao and Nagpure, Atul S. and Kokate, Ganesh and Chilukuri, Satyanarayana V.} } @article { ISI:000341083400001, title = {Novel, concise and efficient protocol for non-natural piperidine compounds}, journal = {RSC Advances}, volume = {4}, number = {62}, year = {2014}, month = {JUL}, pages = {32594-32598}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Formal synthesis of L-altro-1-deoxynojirimycin, cis-3-hydroxypipecolic acid along with synthesis of (R)-piperidinol and a conceptually different advanced intermediate for non-natural piperidine alkaloids is reported from cis-butene-1,4-diol. The key reactions involved are Johnson-Claisen rearrangement, Sharpless asymmetric dihydroxylation, reductive lactamization and novel regioselective elimination.

}, issn = {2046-2069}, doi = {10.1039/c4ra04558k}, author = {Chavan, Subhash P. and Dumare, Nilesh B. and Pawar, Kailash P.} } @article { ISI:000340513400023, title = {Novel fluorescence probe for estimation of cysteine/histidine in human blood plasma and recognition of endogenous cysteine in live Hct116 cells}, journal = {Chemical Communications}, volume = {50}, number = {69}, year = {2014}, month = {SEP}, pages = {9899-9902}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new Cu(II)-complex is used as a {\textquoteleft}{\textquoteleft}Turn-On{\textquoteright}{\textquoteright} luminescence probe for specific detection of endogenous Cys in live Hct116 cells and Cys present in human blood plasma without any interference from other amino acids, especially GSH and Hcy. Difference in the mechanistic pathway for Cys and His recognition is discussed.

}, issn = {1359-7345}, doi = {10.1039/c4cc04214j}, author = {Reddy, Upendar G. and Agarwalla, Hridesh and Taye, Nandaraj and Ghorai, Suvankar and Chattopadhyay, Samit and Das, Amitava} } @article { ISI:000330425000001, title = {Novel glycolipids synthesized using plant essential oils and their application in quorum sensing inhibition and as antibiofilm agents}, journal = {Scientific World Journal}, year = {2014}, month = {JAN}, pages = {890709}, publisher = {HINDAWI PUBLISHING CORP}, address = {410 PARK AVENUE, 15TH FLOOR, \#287 PMB, NEW YORK, NY 10022 USA}, abstract = {

Essential oils (EOs) form an important part of traditional medicine so their anti-microbial and, in the recent past, antiquorum sensing activity has been well studied. However it is likely that due to their hydrophobic nature and reduced solubility in aqueous environments full potential of their activity cannot be realized. hence it is only rational to formulate a process to make these molecules more polar in nature. The present paper reports synthesis of sophorolipids using 12 different essential oils as substrates, thus providing surfactant-like properties to these EOs. The synthesis protocol makes the use of Candida bombicola ATCC 22214 as producer organism. The production process required 7 days of incubation at 28 degrees C and 180 rpm. Preliminary characterization of the synthesized essential oil sophorolipids (EOSLs) was performed using thin layer chromatography (TLC) and Fourier transform infrared spectroscopy (FTIR). Additionally, essential oils that were incapable of mediating quorum sensing inhibition (QSI) on their own became potent quorum sensing inhibitors upon conversion into their corresponding EOSLs. Antibiofilm potential of these EOSLs was also demonstrated using V. cholerae as test organism. Use of essential oils as substrates for glycolipid synthesis has not been attempted previously, and hence this is the first report.

}, issn = {1537-744X}, doi = {10.1155/2014/890709}, author = {Mukherji, Ruchira and Prabhune, Asmita} } @article { ISI:000340975900102, title = {Novel precursors for anatase nanorods and their application in DSSCs}, journal = {Materials Chemistry and Physics}, volume = {147}, number = {3}, year = {2014}, month = {OCT}, pages = {1110-1116}, publisher = {ELSEVIER SCIENCE SA}, address = {PO BOX 564, 1001 LAUSANNE, SWITZERLAND}, abstract = {

Syntheses for the formation of two new precursors for TiO2 nanorods: titanium propanediolate and titanium erythritolate, have been detailed. These precursors have a rod like morphology and have been found to have higher thermal stability than commercially available precursors. The conversion of the precursors to anatase phase of TiO2 involves a simple heating protocol and importantly the morphology is conserved. The resulting anatase nanorods have been characterised and evaluated as photoanodes in dye sensitized solar cells (DSSCs). Overall device efficiencies of 3.2\% and 2.3\% were achieved when anatase rods (obtained from titanium propanediolate and titanium erythritolate respectively) were used. These values are higher than the 1.1\% efficiency obtained from the control device (made with spherical anatase nanoparticles). It is found that forming ordered 1-D rods leads to enhanced charge transport and charge collection at the electrode along with a commensurate decrease in charge recombination. (C) 2014 Elsevier B.V. All rights reserved.

}, keywords = {Inorganic compounds, Nanostructures, Non-crystalline materials, Sol-gel growth}, issn = {0254-0584}, doi = {10.1016/j.matchemphys.2014.06.065}, author = {Mishra, Biswajit and Agarkar, Shruti A. and Khushalani, Deepa} } @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:000337637100018, title = {NOx reduction at near ambient temperatures and under lean-burn conditions on modified pd surfaces}, journal = {ChemCatChem}, volume = {6}, number = {2}, year = {2014}, month = {FEB}, pages = {531-537}, publisher = {WILEY-V C H VERLAG GMBH}, address = {BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY}, abstract = {

Palladium surfaces that are modified with O atoms in the subsurface broaden the NO reduction temperature regime up to 325 K with O-2-rich NO+H-2+O-2 compositions. Compared to virgin Pd surfaces, up to 150\% higher deNO(x) catalytic activity was observed with modified Pd surfaces at the reaction maximum. Molecular beam instrument and ambient-pressure photoelectron spectroscopy were employed to follow the kinetic and surface changes. These results open up a possibility to realize the cold-start reduction of NOx (deNO(x)). DeNO(x) activity reported in the literature with supported Pd catalysts after a simple calcination in air compares well with our present observations. Surface modification is likely to demonstrate a high potential for other catalytic reactions at relatively low temperatures.

}, keywords = {heterogeneous catalysis, nitrogen, oxygen, Palladium, surface chemistry}, issn = {1867-3880}, doi = {10.1002/cctc.201301033}, author = {Roy, Kanak and Gopinath, Chinnakonda S.} } @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:000361559700081, title = {N-(3-Aminoalkyl)proline derivatives with potent antigycation activity}, journal = {RSC Advances}, volume = {5}, number = {94}, year = {2015}, month = {SEP}, pages = {77332-77340}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

The importance of amino acids in the therapy of conditions such as renal failure, neurological disorders and congenital defects has been documented. Some amino acids such as lysine and glycine have also been reported to have antiglycating activity. Herein we report the synthesis of a new series of N-(3-aminoalkyl)proline derivatives which are non-natural in nature. The compounds were unambiguously characterized by NMR, mass and IR spectroscopy. Their in vitro antiglycation activity was studied by circular dichroism and fluorescence spectrometry. The mechanism of action was also studied and found to take place by inhibition of Amadori product formation. The inhibition of AGE formation was further confirmed by western blot and LC-MS/MS analyses and the IC50 values of the potent compounds were determined. Compounds containing hydroxyl substituents at C4 were found to have superior antiglycation properties than those containing azide substituents at the same position. The compounds were additionally found to possess good anti-oxidant properties, which could lead to further reduction in AGE formation. Moreover, the title compounds were found to have low cytotoxicity in mammalian cells, another important attribute. Thus, the title compounds represent a novel promising class of antiglycating agents.

}, issn = {2046-2069}, doi = {10.1039/c5ra12148e}, author = {Chilukuri, Harsha and Kolekar, Yogesh M. and Bhosle, Govind S. and Godbole, Rashmi K. and Kazi, Rubina S. and Kulkarni, Mahesh J. and Fernandes, Moneesha} } @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:000363163200048, title = {Nanostructured 2D MoS2 honeycomb and hierarchical 3D CdMoS4 marigold nanoflowers for hydrogen production under solar light}, journal = {Journal of Materials Chemistry A}, volume = {3}, number = {42}, year = {2015}, month = {SEP}, pages = {21233-21243}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Unique two dimensional (2D) honeycomb layered MoS2 nanostructures and hierarchical 3D marigold nanoflowers of CdMoS4 were designed using a template free and facile solvothermal method. The MoS2 structure is depicted with a sheet like morphology with lateral dimensions of 5-10 mu m and a thickness of similar to 200 nm and a honeycomb nanostructure architecture produced via the self-assembling of vertically grown thin hexagonal nanosheets with a thickness of 2-3 nm. The 3D CdMoS4 marigold nanoflower architecture comprised thin nanopetals with lateral dimensions of 1-2 mu m and a thickness of a few nm. The CdMoS4 and MoS2 structures displayed hydrogen ( H-2) production rates of 25 445 and 12 555 mu mol h(-1) g(-1), respectively. The apparent quantum yields of hydrogen production were observed to be 35.34\% and 17.18\% for CdMoS4 and MoS2, respectively. The 3D nanostructured marigold flowers of CdMoS4 and honeycomb like 2D nanostructure of MoS2 were responsible for higher photocatalytic activity due to inhibition of the charge carrier recombination. The prima facie observation of H-2 production showed that the ternary semiconductor confers enhanced photocatalytic activity for H-2 generation due to its unique structure. Such structures can be designed and implemented in other transition metal dichalcogenide based ternary materials for enhanced photocatalytic and other applications.

}, issn = {2050-7488}, doi = {10.1039/c5ta04617c}, author = {Kadam, Sunil R. and Late, Dattatray J. and Panmand, Rajendra P. and Kulkarni, Milind V. and Nikam, Latesh K. and Gosavi, Suresh W. and Park, Chan J. and Kale, Bharat B.} } @article { ISI:000349401200012, title = {New atom transfer radical polymerization initiator based on phenolphthalein for the synthesis of bis-allyloxy functionalized polystyrene macromonomers}, journal = {Polymer International}, volume = {64}, number = {3}, year = {2015}, month = {MAR}, pages = {413-420}, publisher = {WILEY-BLACKWELL}, address = {111 RIVER ST, HOBOKEN 07030-5774, NJ USA}, abstract = {

A new atom transfer radical polymerization (ATRP) initiator, namely 2-(1,1-bis(4-(allyloxy)phenyl)-3-oxoisoindolin-2-yl)ethyl 2-bromo-2-methylpropanoate, was synthesized starting from phenolphthalein, a commercially available and an inexpensive chemical. Well- defined bis-allyloxy functionalized polystyrene macromonomers (M-n,M-GPC 4800-11 700gmol(-1)) with controlled molecular weight and narrow molecular weight distribution (1.05-1.09) were synthesized using ATRP by varying the monomer to initiator feed ratio. The presence of allyloxy functionality on polystyrene was confirmed by Fourier transform infrared and H-1 NMR spectroscopy. A kinetic study of polymerization revealed pseudo-first-order kinetics with respect to monomer consumption. Initiator efficiency was found to be in the range 0.80-0.95. Matrix-assisted laser desorption ionization time of flight spectra showed a narrow molecular weight distribution with control over the molecular weight. The reactivity of the allyloxy groups on polystyrene was successfully demonstrated by quantitative photochemical thiol-ene click reaction with benzyl mercaptan as the model thiol reagent. Furthermore, the thiol-ene click reaction was exploited to introduce other reactive functional groups such as hydroxyl and carboxyl by reaction of ,-bis-allyloxy functionalized polystyrene with 2-mercaptoethanol and 3-mercaptopropionic acid, respectively. (c) 2014 Society of Chemical Industry

}, keywords = {atom transfer radical polymerization, bis-allyloxy functionalized polystyrene, functional initiator, phenolphthalein, thiol-ene click reaction}, issn = {0959-8103}, doi = {10.1002/pi.4804}, author = {Patil, Sachin S. and Menon, Shamal K. and Wadgaonkar, Prakash P.} } @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:000354326000001, title = {New class of bacterial quorum sensing antagonists: glycomonoterpenols synthesized using linalool and alpha terpineol}, journal = {World Journal of Microbiology \& Biotechnology}, volume = {31}, number = {6}, year = {2015}, month = {JUN}, pages = {841-849}, publisher = {SPRINGER}, address = {233 SPRING ST, NEW YORK, NY 10013 USA}, abstract = {

With increasing burden of antibiotic resistant microorganism search for newer drug targets and potent drug molecules is a never ending scenario. Quorum sensing (QS), the phenomenon of bacterial cross-talk, is one such target that has captured the attention of many and has been touted as the future of new age antimicrobials. Quorum sensing has the potential to regulate a plethora of bacterial virulence phenotypes and search of molecules with powerful quorum sensing inhibitory (QSI) capacity are underway. Monoterpene alcohols like linalool and alpha terpineol have been shown to possess antimicrobial and anti-biofilm activity. However in this article we attempt to bring forth a new class of compounds, glycomonoterpenols, derived from monoterpenoids alcohols. These glycomonoterpenols have been synthesized using Candida bombicola ATCC 22214 by feeding the cells with linalool and alpha terpineol respectively as substrates in 10 \% glucose, production medium. The advantage of these molecules over their parent compound is their additional surfactant like property, increased solubility and enhanced QSI potential. A variety of gram-negative bacteria capable of elaborating quorum sensing mediated phenotypes have been selected and both these glycoterpenoid derivatives have been shown to possess strong anti-QS activity.

}, keywords = {Alpha-terpineol, Glycomonoterpenols, Linalool, Pseudomonas aeruginosa, Quorum sensing inhibition}, issn = {0959-3993}, doi = {10.1007/s11274-015-1822-5}, author = {Mukherji, Ruchira and Prabhune, Asmita} } @article { ISI:000360658000003, title = {New imaging reagents for lipid dense regions in live cells and the nucleus in fixed MCF-7 cells}, journal = {Journal of Materials Chemistry B}, volume = {3}, number = {36}, year = {2015}, month = {AUG}, pages = {7177-7185}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Two new uracil (U) and 5-flurouracil (5-FU) labeled ruthenium(II)-polypyridyl based cellular imaging reagents are reported. Confocal laser scanning microscopic images with live and paraformaldehyde (PFA) fixed MCF-7 cells are examined using these two low-cytotoxic reagents. Experimental results show that these two complexes, appropriately functionalized with U (1) and 5-FU (2), have specific affinity for the lipid dense regions like the endoplasmic reticulum, cell membrane, and cytoplasmic vacuoles in live MCF-7 cells, and dye internalization in these regions happened following an endocytosis pathway. Interestingly, these two complexes are found to be localized in the nucleus of the PFA fixed cells. For fixed cells, presumably the lipid layer disruption helped in the explicit localization of the complexes 1 and 2 in the cell nucleus through specific interaction with cellular DNA. Poor and non-specific internalization of an analogous model complex 3, without having a U or 5-FU moiety, reveals the definite influence of U or 5-FU as well as the role of lipophilicity of the respective complex 1 and 2 in the cellular internalization process. Apart from these, a large Stokes shift (similar to 160 nm) and an appreciably long lived (MLCT)-M-3 excited state (similar to 320 ns) in aq. buffer medium (pH 7.4) are other key features for complexes 1 and 2. Unlike the common nuclear DNA staining reagents like DAPI, these low-cytotoxic reagents are found to be highly stable towards photo-bleaching upon irradiation with 455 nm at the MLCT band for these complexes.

}, issn = {2050-750X}, doi = {10.1039/c5tb01309g}, author = {Ramu, Vadde and Ali, Firoj and Taye, Nandaraj and Garai, Bikash and Alam, Aftab and Chattopadhyay, Samit and Das, Amitava} } @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:000362603800044, title = {New poly(ether urethane)s based on lignin derived aromatic chemicals via A-B monomer approach: synthesis and characterization}, journal = {European Polymer Journal}, volume = {71}, year = {2015}, month = {OCT}, pages = {547-557}, publisher = {PERGAMON-ELSEVIER SCIENCE LTD}, address = {THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND}, abstract = {

{omega-Hydroxyalkyleneoxy benzoyl azides were synthesized starting from lignin-derived phenolic acids (vanillic acid and syringic acid) and omega-haloalkanols (6-chlorohexanol and 11-bromoundecanol). These bio-derived A-B monomers were self-polycondensed to afford poly(ether urethane)s which exhibited reasonably high molecular weights (eta(inh) = 0.41-0.69 dL g(-1), and M-n

}, keywords = {A-B type monomer, Poly(ether urethane)s, Renewable resources, Self-polycondensation}, issn = {0014-3057}, doi = {10.1016/j.eurpolymj.2015.08.021}, author = {Kuhire, Sachin S. and Avadhani, C. V. and Wadgaonkar, Prakash P.} } @article { ISI:000349018100016, title = {New scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: Theory, implementation, and examples}, journal = {Journal of Chemical Physics}, volume = {142}, number = {4}, year = {2015}, month = {JAN}, pages = {Article No. 044113}, publisher = {AMER INST PHYSICS}, address = {1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA}, abstract = {

We propose a new elegant strategy to implement third order triples correction in the light of many-body perturbation theory to the Fock space multi-reference coupled cluster method for the ionization problem. The computational scaling as well as the storage requirement is of key concerns in any many-body calculations. Our proposed approach scales as N-6 does not require the storage of triples amplitudes and gives superior agreement over all the previous attempts made. This approach is capable of calculating multiple roots in a single calculation in contrast to the inclusion of perturbative triples in the equation of motion variant of the coupled cluster theory, where each root needs to be computed in a state-specific way and requires both the left and right state vectors together. The performance of the newly implemented scheme is tested by applying to methylene, boron nitride (B2N) anion, nitrogen, water, carbon monoxide, acetylene, formaldehyde, and thymine monomer, a DNA base. (C) 2015 AIP Publishing LLC.

}, issn = {0021-9606}, doi = {10.1063/1.4906233}, author = {Dutta, Achintya Kumar and Vaval, Nayana and Pal, Sourav} } @article { ISI:000349325400040, title = {New turn on Pd2+-specific fluorescence probe and its use as an imaging reagent for cellular uptake in Hct116 cells}, journal = {Chemical Communications}, volume = {51}, number = {17}, year = {2015}, month = {JAN}, pages = {3649-3652}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

A new coumarin-rhodamine conjugate is used as a specific probe for Pd2+ ions and this could even delineate Pd(II) from Pd(0) or Pd(IV) in aqueous buffer medium (pH similar to 7). Laser confocal microscopic studies reveal that efficient cellular internalization of this reagent helps in imaging the cellular uptake of Pd2+ as low as 0.1 ppm in Hct 116 cells. This reagent could even be used for estimation of Pd2+ in human urine samples.

}, issn = {1359-7345}, doi = {10.1039/c4cc10171e}, author = {Reddy, Upendar G. and Ali, Firoj and Taye, Nandaraj and Chattopadhyay, Samit and Das, Amitava} } @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 {42434, title = {N-Heterocyclic carbene-catalyzed diastereoselective synthesis of β-lactone-fused cyclopentanes using homoenolate annulation reaction}, journal = {Chemical Communications}, volume = {51}, year = {2015}, month = {MAY}, pages = {9559-9562}, abstract = {

NHC-catalyzed annulation of enals with 2-enoylpyridines or 2-enoylpyridine\ N-oxides leading to the diastereoselective synthesis of β-lactone-fused cyclopentanes is reported. The reaction proceeds\ via\ the generation of homoenolate equivalent intermediates and tolerates a broad range of functional groups.

}, doi = {10.1039/C5CC02960K}, author = {Mukherjee, Subrata and Mondal, Santigopal and Patra, Atanu and Gonnade, Rajesh G. and Biju, Akkattu T.} } @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:000361501700023, title = {NiS1.97: a new efficient water oxidation catalyst for photoelectrochemical hydrogen generation}, journal = {ACS Applied Materials \& Interfaces}, volume = {7}, number = {36}, year = {2015}, month = {SEP}, pages = {20053-20060}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

NiS1.97, a sulfur-deficient dichalcogenide, in nanoscale form, is shown to be a unique and efficient photoelectrochemical (PEC) catalyst for H-2 generation by water splitting. Phase pure NiS1.97 nanomaterial is obtained by converting nickel oxide into sulfide by controlled sulfurization method, which is otherwise difficult to establish. The defect states (sulfur vacancies) in this material increase the carrier density and in turn lead to favorable band line-up with respect to redox potential of water, rendering it to be an effective photoelectrochemical catalyst. The material exhibits a remarkable PEC performance of 1.25 mA/cm(2) vs NHE at 0.68 V in neutral pH, which is almost 1000 times superior as compared with that of the stoichiometric phase of NiS2. The latter is well-known to be a cocatalyst but not as a primary PEC catalyst.

}, keywords = {dichlacogenide, Faradaic efficiency, Hydrogen generation, NiS1.97, nonstoichiometric, photoelectrochemical catalyst, sulfurization}, issn = {1944-8244}, doi = {10.1021/acsami.5b05077}, author = {Bhosale, Reshma and Kelkar, Sarika A. and Parte, Golu and Fernandes, Rohan and Kothari, Dushyant and Ogale, Satishchandra} } @article {45881, title = {Nitrogen-induced surface area and conductivity modulation of carbon nanohorn and its function as an efficient metal-free oxygen reduction electrocatalyst for anion-exchange membrane fuel cells}, journal = {SMALL}, volume = {11}, year = {2015}, month = {JAN }, pages = {352-360}, type = {Article}, abstract = {

Nitrogen-doped carbon morphologies have been proven to be better alternatives to Pt in polymer-electrolyte membrane (PEM) fuel cells. However, efficient modulation of the active sites by the simultaneous escalation of the porosity and nitrogen doping, without affecting the intrinsic electrical conductivity, still remains to be solved. Here, a simple strategy is reported to solve this issue by treating single-walled carbon nanohorn (SWCNH) with urea at 800 degrees C. The resulting nitrogen-doped carbon nanohorn shows a high surface area of 1836 m(2) g(-1) along with an increased electron conductivity, which are the pre-requisites of an electro catalyst. The nitrogen-doped nanohorn annealed at 800 degrees C (N-800) also shows a high oxygen reduction activity (ORR). Because of the high weight percentage of pyridinic nitrogen coordination in N-800, the present catalyst shows a clear 4-electron reduction pathway at only 50 mV overpotential and 16 mV negative shift in the half-wave potential for ORR compared to Pt/C along with a high fuel selectivity and electrochemical stability. More importantly, a membrane electrode assembly (MEA) based on N-800 provides a maximum power density of 30 mW cm(-2) under anion-exchange membrane fuel cell (AEMFC) testing conditions. Thus, with its remarkable set of physical and electrochemical properties, this material has the potential to perform as an efficient Pt-free electrode for AEMFCs.

}, issn = {1613-6810}, doi = {10.1002/smll.201303892}, author = {Unni, SreeKuttan M. and Bhange, Siddheshwar N. and Illathvalappil, Rajith and Mutneja, Nisha and Patil, Kasinath R. and Kurungot, Sreekumar} } @article { ISI:000346408800001, title = {Nonconventional chemical inhibitors of microRNA: therapeutic scope}, journal = {Chemical Communications}, volume = {51}, number = {5}, year = {2015}, month = {OCT}, pages = {820-831}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

MicroRNAs (miRNAs) are a class of genomically encoded small RNA molecules (similar to 22nts in length), which regulate gene expression post transcriptionally. The term microRNA or miRNA was coined in 2001, and research in the past decade has shed light on their widespread occurrence, evolutionary conservation and tissue specific functions. It is estimated that they modulate the gene expression of approximately 60\% of the mammalian genes by regulating the levels of target mRNAs to which they can bind on the basis of sequence complementarities. miRNAs are produced in a well coordinated series of steps from being transcribed in the nucleus to exerting their function in the cytoplasm. miRNAs are now implicated in diverse biological phenomena ranging from development to stress response which makes miRNAs one of the central regulatory molecules which modulate information flow along the central dogma of gene expression. More importantly, like any regulatory molecule, deregulation of miRNAs is causally associated with several diseases (mainly cancer) and is directly involved in a variety of pathophysiologies owing to their aberrant expression. Thus, modulation of miRNA levels is of prime therapeutic importance. Conventional methods of miRNA knockdown using chemically modified antisense-oligonucleotides have been explored extensively but face the challenges of modes of delivery, biostability and biodistribution. This calls for the development of more alternative and non-conventional methods to target miRNA. Small molecules targeting RNA chemical and structural space provide one such timely opportunity. In this article we first provide a brief overview of miRNA biogenesis and its disease associations. We then summarize the major developments in conventional oligonucleotide based approaches to miRNA knockdown and its status. We then focus on the more non-conventional methods like oligonucleotide enzymes and small molecules and provide an outlook on the future of such methods.

}, issn = {1359-7345}, doi = {10.1039/c4cc04514a}, author = {Jayaraj, Gopal Gunanathan and Nahar, Smita and Maiti, Souvik} } @article { ISI:000360409800002, title = {Nonomuraea indica sp nov., novel actinomycetes isolated from lime-stone open pit mine, India}, journal = {Journal of Antibiotics}, volume = {68}, number = {8}, year = {2015}, month = {AUG}, pages = {491-495}, publisher = {JAPAN ANTIBIOTICS RESEARCH ASSOC}, address = {2 20 8 KAMIOSAKI SHINAGAWA KU, TOKYO, 141, JAPAN}, abstract = {

A Gram-positive, aerobic, nonmotile actinomycete strain designated DRQ-2(T) was isolated from the soil sample collected from limestone open pit mine from the Gulbarga region, Karnataka province, India. Strain DRQ-2(T) was identified as a member of the genus Nonomuraea by a polyphasic approach. Strain DRQ-2(T) could be differentiated from other members of the genus Nonomuraea on the basis of physiology and 16S rRNA gene sequence analysis. The 16S rRNA gene sequence similarity of strain DRQ-2(T) showed highest sequence similarity to Nonomuraea muscovyensis DSM 45913(T) (99.1\%), N. salmonea DSM 43678(T) (98.2\%) and N. maheshkhaliensis JCM 13929(T) with 98.0\%, respectively. Chemotaxonomic properties showing predominant menaquinones of MK-9 (H-4), MK-9(H-2) and MK-9(H-6), major polar lipids comprised diphosphatidylglycerol, phosphatidylmono methyl ethanolamine (PME), phosphatidylethanolamine (PE), hydroxy-PME (OH-PME), hydroxy PE (OH-PEE), phosphatidylglycerol (PG), ninhydrin-positive phosphoglycolipid and unknown phospholipid, fatty acids with major amounts of i-C-16:0, ai-C-15:0 and ai-C-17:0 supported allocation of the strain to the genus Nonomuraea. Results of DNA-DNA hybridization and physiological tests allowed genotypic and phenotypic differentiation of strain DRQ-2(T) from closely related species. The genomic DNA G+C content of the organism was 72.5 mol\%. On the basis of phenotypic, chemotypic and molecular characteristics, strain DRQ-2(T) represents a novel species of the genus Nonomuraea, for which the name N. indica sp. nov. is proposed, with type strain DRQ-2(T) (= NCIM 5480(T) = CCTCC AA 209050(T)).

}, issn = {0021-8820}, doi = {10.1038/ja.2015.24}, author = {Quadri, Syed Raziuddin and Tian, Xin-Peng and Zhang, Jing and Li, Jie and Nie, Guo-Xing and Tang, Shu-Kun and Al Ruwaili, Jamal and Agsar, Dayanand and Li, Wen-Jun and Dastager, Syed Gulam} } @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 { ISI:000362436800028, title = {Novel one-pot multi-component synthesis of 3,3 {\textquoteleft}-disubstituted oxindole and spirooxindole scaffolds via Sn-catalyzed C(sp(3))-H functionalization of azaarenes by sequential Knoevenagel-Michael-cyclization reaction}, journal = {RSC Advances}, volume = {5}, number = {99}, year = {2015}, month = {SEP}, pages = {81103-81107}, publisher = {ROYAL SOC CHEMISTRY}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Sn-catalyzed C(sp(3))-H bond functionalization of 2-methyl azaarenes/2-(azaaryl)methanes has been achieved for the first time in a one-pot multi-component reaction with isatin and active methylene compounds via tandem sequential Knoevenagel-Michael-intramolecular C-N cyclization. This strategy provides new cost-effective access to potent and biologically/medicinally important spirooxindoles/3,3{\textquoteright}-disubstituted 2-oxindoles in good to excellent yields.

}, issn = {2046-2069}, doi = {10.1039/c5ra16334j}, author = {Chavan, Santosh S. and Pathan, Mohsinkhan Y. and Thorat, Shridhar H. and Gonnade, Rajesh G. and Mulla, Shafeek Abdul Rashid} } @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 {43446, title = {N-2 activation on Al metal clusters: catalyzing role of BN-doped graphene support}, journal = {Physical Chemistry Chemical Physics}, volume = {18}, year = {2016}, month = {OCT}, pages = {27721-27727}, abstract = {The successful sustenance of life demands an ambient abiotic process for N-2 activation and dissociation. The Bosch-Haber process remains the only abiotic and synthetic means for N-2 activation and its fixation. Metal nanoclusters have been recently reported for activating molecular nitrogen. Interestingly, the metal clusters explored so far for N-2 activation are free clusters and, hence, are practically not applicable by experimental chemists. Using density functional theory (DFT) based methodology, we propose a potential catalytic system for di-nitrogen activation, viz. supported Al clusters. Al clusters supported on BN doped graphene sheets are seen to activate N-2 molecule with a red shift in the N-N stretching frequency up to 874 cm(-1) with activation barriers as low as 1.14 eV.}, doi = {10.1039/c6cp03342c}, author = {Kumar, Deepak and Pal, Sourav and Krishnamurty, Sailaja} } @article { ISI:000373738000011, title = {Nanoporous graphene enriched with Fe/Co-N active sites as a promising oxygen reduction electrocatalyst for anion exchange membrane fuel cells}, journal = {Advanced Functional Materials}, volume = {26}, number = {13}, year = {2016}, month = {APR}, pages = {2150-2162}, publisher = {WILEY-V C H VERLAG GMBH}, address = {POSTFACH 101161, 69451 WEINHEIM, GERMANY}, abstract = {

Here, a simple but efficient way is demonstrated for the preparation of nanoporous graphene enriched with Fe/Co-nitrogen-doped active sites (Fe/Co-NpGr) as a potential electrocatalyst for the electrochemical oxygen reduction reaction (ORR) applications. Once graphene is converted into porous graphene (pGr) by a controlled oxidative etching process, pGr can be converted into a potential electrocatalyst for ORR by utilizing the created edge sites of pGr for doping nitrogen and subsequently to utilize the doped nitrogens to build Fe/Co coordinated centers (Fe/Co-NpGr). The structural information elucidated using both XPS and TOF-SIMS study indicates the presence of coordination of the M-N (M = Fe and Co)-doped carbon active sites. Creation of this bimetallic coordination assisted by the nitrogen locked at the pore openings is found to be helping the system to substantially reduce the overpotential for ORR. A 30 mV difference in the overpotential () with respect to the standard Pt/C catalyst and high retention in half wave potential after 10 000 cycles in ORR can be attained. A single cell of an anion exchange membrane fuel cell (AEMFC) by using Fe/Co-NpGr as the cathode delivers a maximum power density of approximate to 35 mWcm(-2) compared to 60 mWcm(-2) displayed by the Pt-based system.

}, keywords = {electrocatalyst, nitrogen doping, oxygen reduction reaction, porous grapheme, quantum dots}, issn = {1616-301X}, doi = {10.1002/adfm.201504765}, author = {Palaniselvam, Thangavelu and Kashyap, Varchaswal and Bhange, Siddeswar N. and Baek, Jong-Beom and Kurungot, Sreekumar} } @article { ISI:000381232100002, title = {Nanostructure oxygen carrier used in chemical looping combustion process-A review}, 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 = {717-721}, publisher = {AMER SCIENTIFIC PUBLISHERS}, address = {26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA}, abstract = {

Chemical looping combustion (CLC) is an emerging technology with inherent separation of CO2 from combustion of fuels. In this technique contact of air and fuel for combustion is restricted by providing oxygen through oxygen carrier (DC). The functional efficiency of CLC process mainly depends on the ability of oxygen carrier and it{\textquoteright}s reactivity, which undergoes repeated oxidation and reduction cycles. Nanostructure metal oxides have shown great potential application in the field of chemical looping combustion due to their high surface to volume ratio and enhanced structural properties. Synthesis technique of nanostructure metal oxides, their role as oxygen carrier, their reactivity with fuels along with their structural stability are reviewed herein. The contribution of various operating conditions on nanostructure oxygen carrier are considered in this review. These operating conditions and synthesis routes are summarized and classified according to metal oxides.

}, keywords = {Chemical looping combustion, CO2 Emission, Metal Oxide, Nanostructure, Oxygen Carrier}, issn = {1936-6612}, doi = {10.1166/asl.2016.6930}, author = {Badadare, Mansing M. and Adbale, Naina M. and Khomane, Ramdas B. and Kale, Ganesh R.} } @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.} } @article {43398, title = {Necking in extrusion film casting: numerical predictions of the maxwell model and comparison with experiments}, journal = {Journal of Macromolecular Science Part B-Physics}, volume = {55}, year = {2016}, month = {SEP}, pages = {984-1006}, abstract = {The role of viscoelasticity in determining the extent of necking of a web of molten polymer extruded in an isothermal steady state extrusion film casting (EFC) process is considered. Following a brief review of experimental and theoretical efforts on this problem, analytical and numerical solutions to a well-established model for extrusion film casting using the Maxwell constitutive equation is presented. The extent of film necking was found to either increase or decrease with draw ratio (DR) depending on the Deborah number (De). The locus of points on the draw ratio-Deborah number diagram at which the draw ratio dependence of the necking width inverts was calculated and compared with the locus that separates the unattainable regime from the experimentally accessible regime. Predicted trends were found to be in qualitative agreement with experimental data for various polyethylene grades.}, doi = {10.1080/00222348.2016.1225556}, author = {Pol, Harshawardhan V. and Thete, Sumeet S.} } @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.} } @conference {45833, title = { New analytical method for rapid analysis and speciation of arsenic in rice}, booktitle = {Arsenic Research and Global Sustainability - Proceedings of the 6th International Congress on Arsenic in the Environment, AS 2016}, year = {2016}, month = {JUN}, publisher = {CRC Press/Balkema}, organization = {CRC Press/Balkema}, address = {Stockholm; Sweden}, abstract = {A new analytical method for the direct quantitative determination of arsenic (As) in rice is presented in this paper. This procedure is capable of performing speciation of As (III) and As (V). Thiamine present in the sample can also be measured by this procedure. Filter-plug inserted inside the reactor cap fixes the hydrogen sulfide gas generated in the reactor vessel. Arsenic along with the hydrogen sulfide is measured by substituting the filter plug with cotton plug without the sulfide absorbent. The hydrogen sulfide also produces pink stain in the detector tube. Arsenic and thiamine are found to be in the molar ratio of 1:1. For determining total As, the arsenate is converted to arsenite by a catalyst incorporated in the reagent, which is converted to arsine by sodium borohydride. The main As species detected in rice samples was inorganic As (III), which is consistent with the reported results. It takes only about 20 minutes to analyze one sample of rice. The present procedure can also analyze biological samples like urine, hair etc.}, url = {https://www.scopus.com/record/display.uri?eid=2-s2.0-85017014788\&origin=inward\&txGid=a426c85a47666658378239ec359b7356}, author = {Nambiar, O. G. B.} } @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:000372856300024, title = {New understanding on regulating the crystallization and morphology of the beta-polymorph of isotactic polypropylene based on carboxylate-alumoxane nucleating agents}, journal = {Macromolecules}, volume = {49}, number = {6}, year = {2016}, month = {MAR}, pages = {2197-2205}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

Carboxylate alumoxane derived from p-n-alkylbenzoic acids, where n-alkyl group changes from 2 to 8 carbon atoms, exhibits dual nucleating ability and nucleates isotactic polypropylene (iPP) into predominantly in the beta-phase under specific conditions. The selectivity of the beta-phase nucleation depends on the concentration of the nucleating agent, end melting temperature and cooling rate. The beta-phase obtained from p-n-alkylbenzoate-alumoxanes is compared with the beta-phase obtained from calcium pimelate (CaP), an efficient beta-phase selective, nucleating agent, using the results from DSC, WAXS, and SAXS analysis. The lamellar morphology of iPP nucleated with different nucleating agents crystallized at different crystallization temperatures (T-C) under controlled nonisothermal conditions are evaluated using SAXS analysis. The long period increases with increasing crystallization temperature and the long period of the beta-phase is always larger than that of the alpha-phase for a given crystallization temperature. Furthermore, the variation of long period with crystallization temperature clearly brings out two crystallization temperature ranges; the low temperature range and the high temperature range. However, the beta-phase shows a lower changeover temperature compared to that of the alpha-phase. The one-dimensional correlation analysis of the beta-phase shows that the thickness of the crystal lamellae (lc) increases with T-C and exhibits the low and high crystallization temperature ranges, while the thickness, of the amorphous layer (la) more or less remains constant. In-situ high temperature WAXS studies capture the beta-phase to the a-phase transition and the transformed material con-elates well with the lamellar thickness of the beta-phase. The morphological difference between the alpha- and the beta-phases are discussed and attributed to the differences in the impact properties and the melting temperature. This study clearly demonstrates that the lamellar morphology mainly depends on the T-C and not on the nature of the nucleating agents.

}, issn = {0024-9297}, doi = {10.1021/acs.macromol.5b02466}, author = {Mani, Mohan Raj and Chellaswamy, Ramesh and Marathe, Yogesh N. and Pillai, Vijayamohanan K.} } @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:000374790700031, title = {Nitrogen and sulphur co-doped crumbled graphene for the oxygen reduction reaction with improved activity and stability in acidic medium}, journal = {Journal of Materials Chemistry A}, volume = {4}, number = {16}, year = {2016}, month = {MAR}, pages = {6014-6020}, publisher = {ROYAL SOC CHEMISTRY}, type = {Article}, address = {THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND}, abstract = {

Non-precious dioxygen reduction electrocatalysts have attracted great attention nowadays for the development of stable, cost-effective proton exchange membrane fuel cells. In line with the development of non-precious electrocatalysts, here we report the synthesis of a platinum-free oxygen reduction electrocatalyst based on nitrogen and sulphur co-doped crumbled graphene with trace amounts of iron. The co-doped crumbled graphene structure was obtained by simple oxidative polymerisation of ethylenedioxythiophene in aqueous solution followed by an annealing process under an inert atmosphere. This new electrocatalyst displays improved oxygen reduction activity and electrochemical stability under acidic conditions. The half-cell reaction of the 1000 degrees C annealed polyethylenedioxythiophene (PF-1000) displays only 0.1 V overpotential in both the onset and half-wave potentials compared to state-of-the-art Pt/C in an acidic environment for the ORR. More importantly, the limiting current of PF-1000 clearly surpasses the limiting current displayed by Pt/C, indicating that the crumbled assembly of the graphene flakes helps the system to expose the active sites and the porous network of the material matrix ensures extended accessibility of active sites to the electrolyte and reagent. The dioxygen reduction kinetics of PF-1000 appear similar to those of Pt/C and the system accomplishes the reduction of the dioxygen molecule through the recommended four-electron reduction pathway. The improved activity and electrochemical stability of PF-1000 are mainly attributed to the enriched and well accessible active reaction centres such as graphitic nitrogen, sulphur, and iron coordination and the peculiar morphology of PF-1000. Further, a single cell evaluation of a membrane electrode assembly based on PF-1000 as the cathode catalyst delivered a maximum power density of 193 mW cm(-2) at a cell temperature of 60 degrees C using Nafion as the proton conducting membrane.

}, issn = {2050-7488}, doi = {10.1039/c6ta00073h}, author = {Bhange, Siddheshwar N. and Unni, SreeKuttan M. and Kurungot, Sreekumar} } @article {43020, title = {Nitrogen doping in oxygen-deficient Ca2Fe2O5: a strategy for efficient oxygen reduction oxide catalysts}, journal = {ACS Applied Materials and Interfaces}, volume = {8}, year = {2016}, month = {NOV}, pages = {34387{\textendash}34395}, doi = {10.1021/acsami.6b11718}, author = {Jijil, Chamundi P. and Lokanathan, Moorthi and Chithiravel, Sundaresan and Nayak, Chandrani and Bhattacharyya, Dibyendu and Jha, Shambhu Nath and Babu, P. D. and Kakade, Bhalchandra A. and Devi, R. Nandini} } @article { ISI:000371693900021, title = {No promoter left behind (NPLB): learn de novo promoter architectures from genome-wide transcription start sites}, journal = {Bioinformatics}, volume = {32}, number = {5}, year = {2016}, month = {MAR}, pages = {779-781}, publisher = {OXFORD UNIV PRESS}, address = {GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND}, abstract = {

Promoters have diverse regulatory architectures and thus activate genes differently. For example, some have a TATA-box, many others do not. Even the ones with it can differ in its position relative to the transcription start site (TSS). No Promoter Left Behind (NPLB) is an efficient, organism-independent method for characterizing such diverse architectures directly from experimentally identified genome-wide TSSs, without relying on known promoter elements. As a test case, we show its application in identifying novel architectures in the fly genome.

}, issn = {1367-4803}, doi = {10.1093/bioinformatics/btv645}, author = {Mitra, Sneha and Narlikar, Leelavati} } @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 {43000, title = {Notch1-MAPK signaling axis regulates CD133+ cancer stem cell-mediated melanoma growth and angiogenesis}, journal = {Journal of Investigative Dermatology}, volume = {136}, year = {2016}, month = {DEC}, pages = {2462-2474}, abstract = {

Functional characterization and understanding of the intricate signaling mechanisms in stem-like cells is crucial for the development of effective therapies in melanoma. We have studied whether melanoma cells are phenotypically distinct and hierarchically organized according to their tumorigenic nature. We report that melanoma-specific CD133(+) cancer stem cells exhibit increased tumor-initiating potential, tumor-endothelial cell interaction, and lung metastasis. These cells are able to transdifferentiate into an endothelial-like phenotype when cultured under endothelial differentiation-promoting conditions. Mechanistically, Notch1 upregulates mitogen-activated protein kinase activation through CD133, which ultimately controls vascular endothelial growth factor and matrix metalloproteinase expression in CD133(+) stem cells leading to melanoma growth, angiogenesis, and lung metastasis. Blockade or genetic ablation of Notch1 and mitogen-activated protein kinase pathways abolishes melanoma cell migration and angiogenesis. Chromatin immunoprecipitation and reporter assays revealed that Notch1 intracellular domain regulates CD133 expression at the transcriptional level. Andrographolide inhibits Notch1 intracellular domain expression, Notch1 intracellular domaindependent CD133-mediated mitogen-activated protein kinase and activator protein-1 activation, and epithelial to mesenchymal-specific gene expression, ultimately attenuating melanoma growth and lung metastasis. Human malignant melanoma specimen analyses revealed a strong correlation between Notch1 intracellular domain, CD133, and p-p38 mitogen-activated protein kinase expression and malignant melanoma progression. Thus, targeting Notch1 and its regulated signaling network may have potential therapeutic implications for the management of cancer stem cell-mediated melanoma progression.

}, doi = {10.1016/j.jid.2016.07.024}, author = {Kumar, Dhiraj and Kumar, Santosh and Gorain, Mahadeo and Tomar, Deepti and Patil, Harshal S. and Radharani, Nalukurthi N. V. and Kumar, Totakura V. S. and Patil, Tushar V. and Thulasiram, Hirekodathakallu V. and Kundu, Gopal C.} } @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:000378303400056, title = {Nucleophilic nitration of arynes by sodium nitrite and its multicomponent reaction leading to double-functionalized arenes}, journal = {Organic Letters}, volume = {18}, number = {12}, year = {2016}, month = {JUN}, pages = {3010-3013}, publisher = {AMER CHEMICAL SOC}, address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA}, abstract = {

An unusual nucleophilic nitration of arynes by NaNO2 in the presence of water has been developed, and the concept was further demonstrated to accomplish a double functionalization of arynes using a multicomponent reaction protocol to synthesize pharmaceutically important (2-nitrophenyl)methanol derivatives. Such substitution ortho to -NO2 is difficult by other means. The reaction conditions are mild and avoid the use of strong acids, expensive transition metal catalysts, and additives.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.6b01384}, author = {Dhokale, Ranjeet A. and Mhaske, Santosh B.} } @article {43352, title = {N - heterocyclic - carbene - catalyzed umpolung of imines}, journal = {Angewandte Chemie International Edition}, volume = {56}, year = {2017}, month = {MAR}, pages = {2730 - 2734}, type = {Article}, abstract = {

N-Heterocyclic carbene (NHC) catalysis has been widely used for the umpolung of aldehydes, and recently for the umpolung of Michael acceptors. Described herein is the umpolung of aldimines catalyzed by NHCs, and the reaction likely proceeds via aza-Breslow intermediates. The NHC-catalyzed intramolecular cyclization of aldimines bearing a Michael acceptor resulted in the formation of biologically important 2-(hetero)aryl indole 3-acetic-acid derivatives in moderate to good yields. The carbene generated from the bicyclic triazolium salt was found to be efficient for this transformation.

}, doi = {10.1002/anie.201611268}, author = {Patra, Atanu and Mukherjee, Subrata and Das, Tamal Kanti and Jain, Shailja and Gonnade, Rajesh Ghanshyam and Biju, Akkattu T.} } @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 {43718, title = {Nanoparticle assembly: a perspective and some unanswered questions}, journal = {Current Science}, volume = {112}, year = {2017}, month = {APR}, pages = {1635-1641}, type = {Article}, abstract = {In early 2016, the Royal Society of Chemistry arranged a meeting on the topic {\textquoteright}Nanoparticle Assemblies: from Fundamentals to Applications{\textquoteright} which was hosted at IIT-Bombay, Mumbai. The meeting brought several leading nanoscience and nanotechnology researchers to India and is only the second Faraday Discussions meeting to have been held in the country. The papers presented at the meeting and the resulting active discussions have been summarized in a Faraday Discussion issue(1). The broad range of topics discussed at the meeting led to an understanding on where we stand in the field of nanoparticle assembly, and also enunciated some of the outstanding fundamental and practical issues that remain to be resolved before these ideas can be applied to practical situations. Driven by these ideas, here we focus on four topics/questions: (i) Can we achieve function-driven design of nanoparticle assemblies? (ii) What is the minimal information needed to build a desired assembly? (iii) How complex a structure can one build? How can one make it responsive? What are the relative roles of equilibrium versus dynamics in the assembly process, and are we at a point where we can now pursue active assembly as a viable mode for creating complex assemblies? (iv) What are the applications that are being targeted and what are the barriers to implementation? In this perspective, we do not present an exhaustive survey of the vast literature in this area, but indicate overarching themes/questions that require immediate attention, largely based on the discussions at the Mumbai meeting.}, author = {Kumar, Sanat K. and Kumaraswamy, Guruswamy and Prasad, Bhagavatula L. V. and Bandyopadhyaya, Rajdip and Granick, Steve and Gang, Oleg and Manoharan, Vinothan N. and Frenkel, Daan and Kotov, Nicholas A.} } @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 {44016, title = {New insight into sugarcane industry waste utilization (press mud) for cleaner biobutanol production by using c. acetobutylicum nrrl b-527}, journal = {Applied Biochemistry and Biotechnology}, year = {2017}, month = {MAY}, chapter = {1-18}, abstract = {

In the present study, press mud, a sugar industry waste, was explored for biobutanol production to strengthen agricultural economy. The fermentative production of biobutanol was investigated via series of steps, viz. characterization, drying, acid hydrolysis, detoxification, and fermentation. Press mud contains an adequate amount of cellulose (22.3\%) and hemicellulose (21.67\%) on dry basis, and hence, it can be utilized for further acetone-butanol-ethanol (ABE) production. Drying experiments were conducted in the temperature range of 60{\textendash}120 {\textdegree}C to circumvent microbial spoilage and enhance storability of press mud. Furthermore, acidic pretreatment variables, viz. sulfuric acid concentration, solid to liquid ratio, and time, were optimized using response surface methodology. The corresponding values were found to be 1.5\% (v/v), 1:5 g/mL, and 15 min, respectively. In addition, detoxification studies were also conducted using activated charcoal, which removed almost 93{\textendash}97\% phenolics and around 98\% furans, which are toxic to microorganisms during fermentation. Finally, the batch fermentation of detoxified press mud slurry (the sample dried at 100 {\textdegree}C and pretreated) using Clostridium acetobutylicum NRRL B-527 resulted in a higher butanol production of 4.43 g/L with a total ABE of 6.69 g/L. {\textcopyright} 2017 Springer Science+Business Media New York Author keywords

}, keywords = {Acetone, Acetone butanol ethanols, Acidic pre treatments, Agriculture, Biobutanol, cellulose, Clostridium acetobutylicum, Detoxification, Drying, Drying Fermentation, FermentationSpoilage, Fermentative production, Pre-treatment, Press mud, Press mud Pretreatment, Response surface methodology, Sugar industry, Sulfur determination}, issn = {0273-2289}, doi = {10.1007/s12010-017-2479-3}, author = {Nimbalkar, Pranhita R. and Khedkar, Manisha A. and Gaikwad, S. G. and Chavan, Pramod V. and Bankar, Sandip B.} } @article {43397, title = {New insights into the use of multi-mode phenomenological constitutive equations to model extrusion film casting process}, journal = {Journal of Plastic Film \& Sheeting}, volume = {33}, year = {2017}, month = {JAN}, pages = {35-71}, abstract = {This article is concerned with the effect of the individual viscoelastic relaxation modes of a polymer melt on its behavior in polymer melt extrusion film casting process. We compare the predicted versus experimentally obtained film necking or neck-in profile as a function of draw ratio. The predicted necking profile was obtained using well-established one-dimensional isothermal flow kinematics and consisted of using two different phenomenological constitutive equations, upper convected Maxwell and Phan-Thien-Tanner, with a discrete spectrum of relaxation times. The numerical simulations, containing the two different phenomenological constitutive equations, provided an insight into the effect of the slow and the fast relaxing modes on the stresses, strains, and strain/extensional rates that develop in the molten polymer film as it is stretched from the die exit to the chill-roll. The slow relaxing modes follow trends that are directly proportional to strain (similar to Hookean solids), whereas the fast relaxing modes follow trends that are directly proportional to the stretch rate (in accordance with Newton{\textquoteright}s law of viscosity). Comparing the numerical predictions with the experiments showed that predictions using the upper convected Maxwell constitutive equation best described the long-chain branched polymers (like low-density polyethylene, which shows extensional strain hardening) in the extrusion film casting process. On the other hand, predictions using the Phan-Thien-Tanner constitutive equation best described the linear polymers (like linear low-density polyethylene, which does not show noticeable extensional strain hardening) in the extrusion film casting process.}, doi = {10.1177/8756087915627843}, author = {Thete, Sumeet S. and Doshi, Pankaj and Pol, Harshawardhan V.} } @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 {45769, title = {N-Heterocyclic carbene-catalyzed aldol-lactonization of ketoacids via dynamic kinetic resolution}, journal = {ACS Catalysis}, volume = {7}, year = {2017}, month = {JUN}, pages = {3995-3999}, type = {Article}, abstract = {

N-Heteroryclic carbene (NHC)-catalyzed enantioselective aldol lactonization of acyclic ketoacids, proceeding via dynamic kinetic resolution, is presented. The carbene generated from the chiral anninoinclanol-derived triazolium salt in the presence of LiCl was the key for the success of this transformation. The reaction allowed the diastereoselective and enantioselective synthesis of cyclopentane-fused beta-lactones having three contiguous stereocenters. The reaction products are shown to undergo substrate-controlled beta-lactone opening in the presence of amines to afford succinimide derivatives with four contiguous stereocenters.

}, keywords = {aldol lactonization, beta-lactones, DKR strategies, ketoacids, N-heterocyclic carbenes, organocatalysis}, issn = {2155-5435}, doi = {10.1021/acscatal.7b00681}, author = {Mondal, Santigopal and Mukherjee, Subrata and Das, Tamal Kanti and Gonnade, Rajesh and Biju, Akkattu T.} } @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 {43844, title = {Nitrogen-doped graphene anchored with mixed growth patterns of CuPt alloy nanoparticles as a highly efficient and durable electrocatalyst for the oxygen reduction reaction in an alkaline medium}, journal = {Nanoscale}, volume = {9}, year = {2017}, month = {JUL}, pages = {9009-9017}, type = {Article}, abstract = {

A highly active and durable CuPt alloy catalyst with trigonal bipyramidal and truncated cube-type mixed morphologies, anchored on the nitrogen-doped graphene (NGr) surface (CuPt-TBTC/NGr), was prepared by a simple and fast method. The obtained CuPt alloy showed improved oxygen reduction reaction (ORR) activity, with a 30 mV positive shift in the half-wave potential value, as compared to the state-of-the-art Pt/C catalyst in a 0.1 M KOH solution. The CuPt alloy with the trigonal bipyramidal morphology possesses porous type inter-connected sides, which help to achieve improved mass transport of oxygen during the ORR. The exposure of the (111) plane of the CuPt alloy further improved the catalytic activity towards the dioxygen reduction in alkaline media. The ORR activity of the NGr-supported CuPt alloy was found to be dependent on the reaction time, and improved activity was obtained on the material derived at a reaction time of 90 min (CuPt-TBTC/NGr-90). The material synthesized at a lower or higher reaction time than 90 min resulted in a partially formed trigonal bipyramidal morphology with more truncated cubes or agglomerated trigonal bipyramidal and truncated cubes with closed type structures, respectively. Along with the high intrinsic ORR activity, CuPt-TBTC/NGr-90 displayed excellent electrochemical stability. Even after repeated 1000 potential cycling in a window ranging from 0.10 to 1.0 V (vs. RHE), the system clearly outperformed the state-of-the-art Pt/C catalyst with 15 and 60 mV positive shifts in the onset and half-wave potentials, respectively. CuPt-TBTC/NGr-90 also exhibited 2.1 times higher mass activity and 2.2 times higher specific activity, compared to Pt/C at 0.90 V (vs. RHE). Finally, a zinc-air battery fabricated with the alloy catalyst as the air electrode displayed a peak power density of 300 mW cm(-2), which is much higher than the peak power density of 253 mW cm(-2) obtained for the state-of-the-art Pt/C catalyst as the air electrode.

}, doi = {10.1039/c7nr00697g}, author = {Illathvalappil, Rajith and Dhavale, Vishal M. and Bhange, Siddheshwar N. and Kurungot, Sreekumar} } @article {44172, title = {Nitrogen-doped graphene with a three-dimensional architecture assisted by carbon nitride tetrapods as an efficient metal-free electrocatalyst for hydrogen evolution}, journal = {Chemelectrochem}, volume = {4}, year = {2017}, month = {OCT}, pages = {2643-2652}, type = {Article}, abstract = {Current polymer membrane-based electrolyzers use Pt as a cathode catalyst for efficient reduction of water. The high cost of Pt-based catalysts forces researchers to develop alternative electrocatalysts. Here, a simple strategy has been proposed to synthesize a metal-free electrocatalyst for the hydrogen evolution reaction (HER) by high-temperature annealing of graphene oxide-coated melamine foam. The prepared catalyst possesses both structural and functional advantages with its three-dimensional (3D) interconnected arms of carbon nitride (CNx) backbone wrapped with nitrogen-doped graphene (N-RGO) sheets (CNx@N-RGO). CNx@N-RGO faces only a 193 mV overpotential to achieve a current density of 10mAcm(-2), which is far superior to the previously reported Pt-free systems. Along with the high exchange current density 34.7 x 10(-6)A cm(-2) and low Tafel slope of 54 mV dec(-1), CNx@N-RGO follows a Volmer-Heyrovsky mechanism for the HER. DFT calculations show that the synergy between CNx and N-RGO facilitates good electrical coupling between the two moieties and provides optimal binding to H+ ions on the catalyst that, in turn, results in efficient reduction of hydrogen ions.}, keywords = {carbon nitride, Density functional theory, electrocatalyst, hydrogen evolution reaction, nitrogen doped graphene}, issn = {2196-0216}, doi = {10.1002/celc.201700479}, author = {Gangadharan, Pranav K. and Unni, SreeKuttan M. and Kumar, Nandha and Ghosh, Prasenjit and Kurungot, Sreekumar} } @article {43870, title = {NiZn double hydroxide nanosheet-anchored nitrogen-doped graphene enriched with the gamma-NiOOH phase as an activity modulated water oxidation electrocatalyst}, journal = {Nanoscale}, volume = {9}, year = {2017}, month = {SEP}, pages = {12590-12600}, type = {Journal Article}, chapter = {12590-12600}, abstract = {

Herein, we report a facile solvothermal process to synthesize an active electrocatalyst for the oxygen evolution reaction (OER) in an alkaline medium by anchoring nanosheets of a NiZn double hydroxide over nitrogen doped reduced graphene oxide after enriching the system with the γ-NiOOH phase. This catalyst possesses a thin, porous and open layered structure, which makes the system more efficient and accessible for a better electrochemical water oxidation reaction. Moreover, we experimentally demonstrated that incorporation of Zn via a single-step solvothermal method provides an easy approach to obtain plenty of exposed γ-NiOOH phases to make the system more viable for OER with a small overpotential of 290 mV at 10 mA cm-2 and a Tafel slope of 44 mV per decade. In addition to this, the oxophilic nature of Zn in the (Zn)Ni-LDH/N-rGO catalyst helps to improve the long-term stability of the whole system. The obtained results open up possibilities for the design of future robust OER electrocatalysts by the use of very cheap and abundant materials like Ni and Zn in place of expensive Ir and Ru in the present commercial electrocatalysts.

}, keywords = {catalysis, Efficient Electrocatalyst, kinetics, Metal, Nickel-Hydroxide, oxide, Oxygen Evolution Reaction, performance, XPS Spectra, zinc}, issn = {2040-3364}, doi = {10.1039/c7nr02225e}, author = {Nadeema, Ayasha and Dhavale, Vishal M. and Kurungot, Sreekumar} } @article {43544, title = {Nonlinear Fowler-Nordheim behavior of a single SnO2 nanowire}, journal = {Journal of Vacuum Science \& Technology B}, volume = {35}, year = {2017}, month = {MAR}, pages = {Article Number: 02C105}, abstract = {The present work deals with the field emission study on multiple SnO2 nanowires synthesized by a simple thermal evaporation method. The randomly oriented multiple nanowires grown by the vapor-liquid-solid mechanism exhibit low turn on field (0.8V/mu m defined for the current density of 1 mu A/cm(2)) and linear Fowler-Nordheim nature (FN). However, for the understanding of the nature of the FN plot, field emission behavior of a single SnO2 nanowire is investigated. The FN plot is observed to be nonlinear in nature. A simple model explaining the field emission mechanism from the semiconducting single SnO2 nanowire is proposed. (C) 2017 American Vacuum Society.}, doi = {10.1116/1.4973949}, author = {Joshi, Padmashree D. and Joag, Dilip S. and Late, Dattatray J. and Mulla, Imtiaz S.} } @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 {43525, title = {Nucleotide dependent switching in Rho GTPase: conformational heterogeneity and competing molecular interactions}, journal = {Scientific Reports}, volume = {7}, year = {2017}, month = {APR}, pages = {Article Number: 45829}, abstract = {Ras superfamily of GTPases regulate myriad cellular processes through a conserved nucleotide (GTP/ GDP) dependent switching mechanism. Unlike Ras family of GTPases, for the Rho GTPases, there is no clear evidence for the existence of "sub-states" such as state 1 \& state 2 in the GTP bound form. To explore the nucleotide dependent conformational space of the Switch I loop and also to look for existence of state 1 like conformations in Rho GTPases, atomistic molecular dynamics and metadynamics simulations on RhoA were performed. These studies demonstrate that both the nucleotide-free state and the GDP bound "OFF" state have very similar conformations, whereas the GTP bound "ON" state has unique conformations with signatures of two intermediate states. The conformational free energy landscape for these systems suggests the presence of multiple intermediate states. Interestingly, the energetic penalty of exposing the non-polar residues in the GTP bound form is counter balanced by the favourable hydrogen bonded interactions between the gamma- phosphate group of GTP with the highly conserved Tyr34 and Thr37 residues. These competing molecular interactions lead to a tuneable energy landscape of the Switch I conformation, which can undergo significant changes based on the local environment including changes upon binding to effectors.}, doi = {10.1038/srep45829}, author = {Kumawat, Amit and Chakrabarty, Suman and Kulkarni, Kiran} } @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.} } @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 {44365, title = {New insights towards strikingly improved room temperature ethanol sensing properties of p-type Ce-doped SnO2 sensors}, journal = {Scientific Reports}, volume = {8}, year = {2018}, month = {MAY}, pages = {Article Number: 8079}, type = {Article}, abstract = {In this article, room temperature ethanol sensing behavior of p-type Ce doped SnO2 nanostructures are investigated successfully. Interestingly, it is examined that the abnormal n to p-type transition behavior is caused by Ce doping in SnO2 lattice. In p-type Ce doped SnO2, Ce ion substituting the Sn is in favor of generating excess holes as oxygen vacancies, which is associated with the improved sensing performance. Although, p-type SnO2 is one of the important materials for practical applications, it is less studied as compared to n-type SnO2. Pure and Ce doped SnO2 nanostructures were successfully synthesized by chemical co-precipitation method. The structure, surface morphology, unpaired electrons (such as free radicals), and chemical composition of obtained nanoparticleswere studied by various kinds of characterization techniques. The 9\% Ce doped SnO2 sensors exhibit maximum sensor response of similar to 382 for 400 ppm of ethanol exposure with fast response time of similar to 5 to 25 sec respectively. Moreover, it is quite interesting that such enhancement of ethanol sensing is unveiled at room temperature, which plays a key role in the quest for better ethanol sensors. These remarkably improved sensing results are attributed to uniformly distributed nanoparticles, lattice strain, complex defect chemistry and presence of large number of unpaired electrons on the surface.}, doi = {10.1038/s41598-018-26504-3}, author = {Kumar, Manjeet and Bhatt, Vishwa and Abhyankar, A. C. and Kim, Joondong and Kumar, Akshay and Patil, Sagar H. and Yun, Ju-Hyung} } @article {45395, title = {New strategy toward a dual functional nanocatalyst at ambient conditions: influence of the Pd-Co interface in the catalytic activity of Pd@Co core-shell nanoparticles}, journal = { ACS Applied Materials \& Interfaces }, volume = {10}, year = {2018}, month = {DEC }, pages = {41268-41278}, type = {Article}, abstract = {

Bimetallic nanostructures with a combination of noble and nonnoble metals hold promise for improving catalyst activity and selectivity. Here, we report the synthesis of Pd@Co (PC) core shell morphology nanoparticles with three different ratios of palladium (Pd) and cobalt (Co), and a possibility to fine tune the ratio of core and shell thickness. PC exhibits superior and selective hydrogenation as well as oxidation catalytic activity at ambient or near-ambient conditions. Various characterization techniques have been employed to confirm the core shell morphology. Without any pre-treatment or activation, fresh catalysts with different Pd to Co ratios, that is, 2:1, 1:1, and 1:2, were subjected to olefin (phenylacetylene) hydrogenation and oxidation (styrene to styrene oxide) reaction. The catalytic activity results demonstrate that the 1:1 ratio of Pd/Co is the most active composition for controlled and stepwise reduction of phenyl acetylene to styrene and then to ethyl benzene; 1:1 Pd/Co shows 100\% styrene conversion in 30 min. with an order of magnitude higher turnover frequency than other catalysts. The 1:1 PC ratio is also the most active composition for selective oxidation of styrene to styrene oxide. NAPXPS (near-ambient pressure XPS) results show that the active sites for catalytic hydrogenation and oxidation reaction are Co and Co3+, respectively. However, the superior catalytic performance can be attributed to Co (for reduction) or Co3+ (for oxidation), and the Pd Co interface plays a critical role in stabilizing the required functional character. NAPXPS results confirm that the superior catalytic performance can be attributed not only to Co or Co3+, but also to the Pd Co interface. The electronic effect and synergism between Co and Pd helps Co to stabilize in different oxidation states depending on the reaction conditions, and making it a dual functional catalyst.

}, issn = {1944-8244}, doi = {10.1021/acsami.8b12940}, author = {Jain, Ruchi and Gopinath, Chinnakonda S.} } @article {44644, title = {N-Heterocyclic carbene-catalyzed enantioselective synthesis of spiro-glutarimides via alpha,beta-unsaturated acylazoliums}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {AUG}, pages = {4499-4503}, abstract = {

NHC-catalyzed enantioselective [3 + 3] spiro-annulation of alpha,beta-unsaturated aldehydes with cyclic beta-ketoamides allowing the preparation of synthetically and biologically important spiro-glutarimide derivatives has been reported. The interception of the ketoamides with catalytically generated chiral alpha,beta-unsaturated acylazoliums proceeds in a Michael addition-intramolecular amidation pathway to deliver the spirocyclic products with good yield, diastereoselectivity, and enantioselectivity.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b01799}, author = {Mondal, Santigopal and Ghosh, Arghya and Mukherjee, Subrata and Biju, Akkattu T.} } @article {44535, title = {N-Heterocyclic carbene-catalyzed michael-michael-lactonization cascade for the enantioselective synthesis of tricyclic delta-lactones}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {MAY}, pages = {2952-2955}, abstract = {

Enantioselective synthesis of tricyclic delta-lactones with three contiguous stereocenters has been demonstrated by the N-heterocyclic carbene (NHC)-catalyzed functionalization of benzylic C(sp(3))-H bonds. The NHC-catalyzed reaction of enals with dinitrotoluene derivatives under oxidative conditions proceeds via the chiral alpha,beta-unsaturated acylazoliums and produces the delta-lactones in good yields and excellent diastereoselectivity and enantioselectivity. This mild and atom-economic cascade reaction takes place in a Michael/Michael/lactonization sequence and tolerates a broad range of functional groups.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b00998}, author = {Mukherjee, Subrata and Ghosh, Arghya and Marelli, Udaya Kiran and Biju, Akkattu T.} } @article {44621, title = {N-Heterocyclic carbene-catalyzed synthesis of alpha-trifluoromethyl esters}, journal = {Organic Letters}, volume = {20}, year = {2018}, month = {JUL}, pages = {3897-3901}, abstract = {

The N-heterocyclic carbene (NHC)-catalyzed trifluoromethylation of alpha-chloro aldehydes was developed, allowing straightforward access to valuable alpha-trifluoromethyl ester derivatives. The unique combination of an electrophilic trifluoromethylation reagent with NHC catalysis was the key for the functionalization of a broad range of alpha-chloro aldehydes, and the products are formed in moderate to good yields. Investigations of the enantioselective version of this reaction afforded the enantioenriched products in moderate yields with good ee values.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.8b01482}, author = {Gelat, Fabien and Patra, Atanu and Pannecoucke, Xavier and Biju, Akkattu T. and Poisson, Thomas and Besset, Tatiana} } @article {45471, title = { Ni-catalyzed alpha-alkylation of unactivated amides and esters with alcohols by hydrogen auto-transfer strategy }, journal = {CHEMSUSCHEM}, volume = {11}, year = {2018}, month = {NOV}, pages = {3911-3916}, type = {Article}, abstract = {A transition-metal-catalyzed borrowing hydrogen/hydrogen auto-transfer strategy allows the utilization of feedstock alcohols as an alkylating partner, which avoids the formation of stoichiometric salt waste and enables a direct and benign approach for the construction of C-N and C-C bonds. In this study, a nickel-catalyzed alpha-alkylation of unactivated amides and ester (tert-butyl acetate) is carried out by using primary alcohols under mild conditions. This C-C bond-forming reaction is catalyzed by a new, molecularly defined nickel(II) NNN-pincer complex (0.1-1 mol \%) and proceeds through hydrogen auto-transfer, thereby releasing water as the sole byproduct. In addition, N-alkylation of cyclic amides under Ni-catalytic conditions is demonstrated.}, doi = {10.1002/cssc.201801443}, author = {Midya, Siba P. and Rana, Jagannath and Pitchaimani, Jayaraman and Nandakumar, Avanashiappan and Madhu, Vedichi and Balaraman, Ekambaram} } @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 {45474, title = { Nitrosporeusine analogue ameliorates Chandipura virus induced inflammatory response in CNS via NF kappa b inactivation in microglia}, journal = {PLOS Neglected Tropical Diseases}, volume = {12}, year = {2018}, month = {JUL}, type = {Article}, abstract = {Chandipura Virus (CHPV), a negative-stranded RNA virus belonging to the Rhabdoviridae family, has been previously reported to bring neuronal apoptosis by activating several factors leading to neurodegeneration. Following virus infection of the central nervous system, microglia, the ontogenetic and functional equivalents of macrophages in somatic tissues gets activated and starts secreting chemokines, thereby recruiting peripheral leukocytes into the brain parenchyma. In the present study, we have systemically examined the effect of CHPV on microglia and the activation of cellular signalling pathways leading to chemokine expression upon CHPV infection. Protein and mRNA expression profiles of chemokine genes revealed that CHPV infection strongly induces the expression of CXC chemokine ligand 10 (CXCL10) and CC chemokine ligand 5 (CCL5) in microglia. CHPV infection triggered the activation of signalling pathways mediated by mitogen-activated protein kinases, including p38, JNK 1 and 2, and nuclear factor kappa B (NF-kappaB). CHPV-induced expression of CXCL10 and CCL5 was achieved by the activation of p38 and NF-kappaB pathways. Considering the important role of inflammation in neurodegeneration, we have targeted NF-kappaB using a newly synthesised natural product nitrosporeusine analogue and showed incapability of microglial supernatant of inducing apoptosis in neurons after treatment.}, issn = {1935-2735}, doi = {10.1371/journal.pntd.0006648}, author = {Verma, Abhishek Kumar and Waghmare, Trushnal S. and Jachak, Gorakhnath R. and Philkhana, Satish Chandra and Reddy, D. Srinivasa and Basu, Anirban} } @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 {45579, title = {Nonconventional method for drying of Pseudomonas aeruginosa and its comparison with conventional methods}, journal = {Drying Technology}, volume = {37}, year = {2018}, month = {MAY}, pages = {839-853}, type = {Article}, abstract = {

In this study, preparation of dried cultures of Pseudomonas aeruginosa using nonconventional drying method, namely, low-temperature low-humidity (LTLH) drying was investigated. The effect of carrier materials (whey protein, corn starch, and trehalose) was examined one at a time and also in combinations (to explore the synergistic effect). The results were compared with those obtained using spray drying and freeze drying in terms of cell survival and dry cell powder yield. The powder samples were analyzed also for morphology, flowability, particle size, and moisture content. In LTLH drying, good cell survival was observed along with high powder yield when compared with that in spray drying. Corn starch showed the highest cell survival (91\%) and powder yield (94\%, w/w) among the carrier materials employed besides resulting in good cell survival (65\%) even after a storage period of 6 months.

}, keywords = {cell survival, Encapsulation, freeze drying, Low-temperature low-humidity (LTLH) drying, Pseudomonas aeruginosa, spray drying}, issn = {0737-3937}, doi = {10.1080/07373937.2018.1469140}, author = {Umashankar, K., and Chandralekha, A. and Dandavate, T., and Tavanandi, H. A. and Raghavarao, K. S. M. S.} } @article {44538, title = {Non-isothermal analysis of extrusion film casting using multi-mode Phan-Thien Tanner constitutive equation and comparison with experiments}, journal = {Rheologica Acta}, volume = {57}, year = {2018}, month = {JUL}, pages = {493-503}, abstract = {

Extrusion film casting (EFC) is an industrially important process which produces thousands of tons of polymer films, sheets, and coating used for various industrial as well as household applications. In this paper, we focus on an instability which occurs during certain polymer processing operations operating under predominantly elongational flow, such as extrusion film casting and fiber spinning. This instability, called the draw resonance, occurs in the form of sustained periodic fluctuations in the film dimensions. It appears when the process goes beyond the critical line speed of the EFC process. In this work, a conventional linear stability analysis is carried out for nonisothermal EFC process to determine the onset of the draw resonance. The polymer rheology is modeled by the Phan-Thien Tanner (PTT) multi-mode constitutive equation. For the implementation, a conventional shooting method approach is used. Extrusion film casting experiments were also carried out using a conventional linear low-density polyethylene (LLDPE) by varying process parameters such as draw ratio and aspect ratio, to observe the effect on the stability of the process. Linear stability analysis results under non-isothermal conditions are compared and validated with existing results from literature and with our own experimental data. This work displays the effect of multiple relaxation modes as well as the temperature influence on the stability of EFC process. Finally, results also indicate that the temperature highly affects the stability of the EFC process and cannot be ignored from modeling of EFC process.

}, keywords = {Deborah number, Draw resonance, Film extrusion, Multi-mode, Nonisothermal, stability}, issn = {0035-4511}, doi = {10.1007/s00397-018-1095-7}, author = {Chougale, Sanket and Rokade, Dhammaraj and Bhattacharjee, Tanushree and Pol, Harshawardhan and Dhadwal, Renu} } @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 {44219, title = {Novel pentadecyl phenol-tagged L-tryptophan molecules: synthesis, self- assembly and liquid crystalline properties}, journal = {Chemistryselect}, volume = {3}, year = {2018}, month = {JAN}, pages = {108-115}, type = {Article}, abstract = {

The paper describes the self-assembly and liquid crystalline properties of pentadecylphenol tagged L-tryptophan molecules having ester and amide functionality. We have synthesized a series of molecules having mono and ditryptophan moieties attached to pentadecylphenol through amide or ester linkage. The fluorescence properties of the Boc-L-tryptophan-pentadecylphenol molecules were measured in methanol and found to aggregate beyond the critical aggregation concentration and self-assembled to give spherical structures. Upon deprotection of Boc group, the amine end group got involved in extended hydrogen bonding and fibril like structures were developed. These molecules also showed liquid crystalline behavior in hydrogen bonding solvents such as benzyl alcohol and showed needle like crystals in tert-butanol, as analyzed by polarized optical light microscopy.

}, keywords = {Cardanol, liquid crystalline, pentadecylphenol, Self-assembly, Tryptophan}, issn = {2365-6549}, doi = {10.1002/slct.201702171}, author = {Parappurath, Akhil and Abraham, Jancy Nixon} } @article {45365, title = { Novel pharmaceutical salts of albendazole}, journal = {Crystengcomm}, volume = {20}, year = {2018}, month = {NOV}, pages = { 6394-6405}, type = {Article}, abstract = {Albendazole (ABZ) is a class II safe and effective antihelmintic drug in the benzimidazole group according to the BCS (Biopharmaceutics Classification System) with low solubility (9 mg L-1) and high permeability (log P 2.54). Novel salts and salt hydrates of ABZ are reported with benzene and p-toluene sulfonic acid (BSA, PTSA), as well as carboxylic acids such as oxalic acid (OA), maleic acid (MLE), L-tartaric acid (LTA), 2,6-dihydroxybenzoic acid (2,6-DHBA), and 2,4,6-trihydroxybenzoic acid (2,4,6-THBA). The products ABZ-BSA, ABZ-BSA-H, ABZ-PTSA, ABZ-PTSA-H, ABZ-OA-H and ABZ-2,6-DHBA were confirmed by single crystal X-ray diffraction. In the hydrate structures (designated as -H), the water molecule acts as a bridge in the hydrogen bonding network. The salt formation of ABZ-MLE, ABZ-LTA, and ABZ-2,4,6-THBA was confirmed by N-15 ss-NMR based on the chemical shift change of ca. 50 ppm. The sulfonate salt hydrates exhibit 2D isostructurality, and position disorder in the thiopropyl group in the drug crystal structure was not observed in the salts. Crystal lattice energies were calculated for the MLE, LTA, and 2,4,6-THBA complexes of ABZ to confirm the molecular salt formation. The cocrystals of ABZ with the hydroxybenzene carboxylic acids are novel salts in the benzimidazole drugs class.}, author = {Bolla, Geetha and Nangia, Ashwini} } @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 {44649, title = {Nutritional quality and antioxidant activity of wheatgrass (Triticum aestivum) unwrap by proteome profiling and DPPH and FRAP assays}, journal = {Journal of Food Science}, volume = {83}, year = {2018}, month = {AUG}, pages = {2127-2139}, abstract = {

Precious contribution of plants in the field of medicine is very well known. Wheat (Triticum aestivum) seeds and seedlings are an important source of food and feed due to the presence of various health-promoting compounds. Proteomic analysis of three seed developmental stages (0, 8, and 16 days after germination [DAG]) of wheat was carried out using liquid chromatography-mass spectrometry. A total of 297 proteins were identified and their functional annotation revealed that a majority of them were involved in preventing many diseases, oxidative stress, primary metabolism, storage, and energy related mechanisms. Particularly to mention, peroxidases, superoxide dismutases, and cytochromes are abundantly present in wheatgrass. In the ferric-reducing antioxidant power assay, antioxidant activity was increased by 1.55 times after 16 DAG as compared to 0 DAG, however it was decreased after 8 DAG. The antioxidant activity of the plant extracts by DPPH had an increasing trend after all the three time points. The percent radical scavenging activity of extract by DPPH was 15, 22, and 30 after 0, 8, and 16 DAG, respectively. Observations obtained revealed that antioxidant power of the plants is directly proportional to the age of seedlings. Data attained on wheatgrass showing that it can be a strong antioxidant agent due to its free radical scavenging activity and could be used in stress and nourishing human health. Practical ApplicationWheatgrass contains minerals, phytochemicals, active enzymes, and vitamins that can be easily absorbed. The consumption of wheatgrass juice can give better health benefits. Information about beneficial properties of wheat grass juice is clearly mentioned in this work.Proteins found in wheatgrass are known to be involved in preventing many diseases, oxidative stress, primary metabolism, storage, and energy-related mechanisms. Results of this work revealed that Triticum aestivum seedlings can act as an antioxidant agent due to their free radical scavenging activity and can be constructive to control or treat many health complications. From all these results we believed that wheatgrass can be used for the nourishment of humans.

}, keywords = {Antioxidant, LC-MSE, peroxidase, proteomics, Triticum aestivum, wheatgrass}, issn = {0022-1147}, doi = {10.1111/1750-3841.14224}, author = {Parit, Santosh B. and Dawkar, Vishal V. and Tanpure, Rahul S. and Pai, Sandeep R. and Chougale, Ashok D.} } @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} } @inbook {47479, title = {Nanobiopesticide perspectives for protection and nutrition of plants}, booktitle = {Nano-Biopesticides Today and Future Perspectives}, year = {2019}, pages = {47-68}, publisher = {Elsevier}, organization = {Elsevier}, abstract = {Presently, the actual utilization of pesticides on the target is < 0.1\% due to spray drift, rainwater leaching, etc., which makes pesticide usage inefficient. Therefore, in the agriculture scenario, the use of nanobiopesticides for ease of application, targeted delivery and a reduction in the load of pesticides, and protection of microbial diversity is holding significant promise. The nanomaterials in sensors and biosensors help in miniaturization, the real-time measurement of more variables present in low quantities, and early detection of pests and pathogens. The metal and metal oxide nanoparticles play significant roles in biopesticide degradation. However, one has to address issues related to associated risks to crop health, soil microbial diversity, and mankind due to such nano-based products. Accordingly, formulation of regulatory guidelines for their use also becomes an important component of the strategy.}, doi = {10.1016/B978-0-12-815829-6.00003-6}, author = {Deshpande, Mukund V.} } @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 {45535, title = {Nature of electrophilic oxygen: insights from periodic density functional theory investigations}, journal = {Surface Science}, volume = {679}, year = {2019}, month = {JAN}, pages = {188-195}, type = {Article}, abstract = {

Increasing demand of ethylene oxide and the cost of versatile chemical ethene has been a driving force for understanding mechanism of epoxidation to develop highly selective catalytic process. Direct epoxidation is a proposed mechanism which in theory provides 100\% selectivity. A key aspect of this mechanism is an electrophilic oxygen (O-ele) species forming on the Ag surface. In the past two and half decades, large number of theoretical and experimental investigations have tried to elucidate formation of O-ele, on Ag surface with little success. Equipped with this rich literature on Ag-O interactions, we investigate the same using periodic DFT calculations to further understand how silver surface and oxygen interact with each other from a chemical standpoint. Based on energetics, Lowdin charges, topologies and pdos data described in this study, we scrutinize the established notions of O-ele. Our study provides no evidence in support of O-ele, being an atomic species nor a diatomic molecular species. In fact, a triatomic molecular species described in this work bears multiple signatures which are very convincing evidence for considering it as the most sought for electrophilic entity.

}, keywords = {Ag(100), DFT, Electrophilic, epoxidation, Nucleophilic oxygen}, issn = {0039-6028}, doi = {10.1016/j.susc.2018.09.009}, author = {Kenge, Nivedita and Pitale, Sameer and Joshi, Kavita} } @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 {46137, title = {Neural anti-inflammatory natural product periconianone A: total synthesis and biological evaluation}, journal = {European Journal of Organic Chemistry}, year = {2019}, month = {APR }, pages = {2376-2381}, type = {Article}, abstract = {

Total synthesis of periconianone A, an eremophilane-type sesquiterpenoid with impressive neural anti-inflammatory potential, has been accomplished. Diels-Alder/aldol strategy to construct tetrahydro-naphthalene-2,6-dione scaffold, allylic oxidation of dienone using DBU/O-2 and postulated biomimetic aldol reaction to construct 6/6/6 tricyclic system are the highlights of the present synthesis. Furthermore, the synthesized (+/-)-periconianone A and two close analogs were tested for their neural anti-inflammatory activity using various assays. In the course of our study we found a structurally simplified analog is superior to (+/-)-periconianone A.

}, keywords = {Aldol, Allylic oxidation, Biological evaluation, Cytotoxicity, Diels-Alder, Periconianone A}, issn = {1434-193X}, doi = {10.1002/ejoc.201900048}, author = {Kalmode, Hanuman P. and Patil, Suhag S. and Handore, Kishor L. and Athawale, Paresh R. and Dandela, Rambabu and Verma, Abhishek Kumar and Basu, Anirban and Reddy, D. Srinivasa} } @article {46112, title = {Neutral imino-methyl benzenesulfonate-ligated Pd(II) complexes and implications in ethylene polymerization}, journal = {ACS Omega}, volume = {4}, year = {2019}, month = {MAY}, pages = {9502-9511}, type = {Article}, abstract = {

A reaction between sodium 2-formylbenzenesulfonate and aniline revealed the near-quantitative (91\%) formation of sodium-2-((phenylimino)methyl)benzenesulfonate L1. The identity of L1 was unambiguously ascertained using spectroscopic and analytical methods. The scope of this methodology was widened and various electron-donating amines were treated with sodium 2-formylbenzenesulfonate, and a small library of 6 imine ligands L2-L6 was generated. When L2 was treated with [(COD)PdMeCI], instead of the anticipated [L2PdMe(DMSO)] complex, the formation of [(DMSO)(2)Pd2Cl2Me2] Pd Dim was observed. Nevertheless, the desired imino-methyl benzenesulfonate-ligated palladium complex [L2PdMe(Lu)] C1 was obtained by in situ abstraction of chloride and addition of bulky 2,6-lutidine as the donor group. The observation of characteristic Pd-Me protons at 0.06 ppm and the corresponding carbon at -8.1 ppm indicated the formation of C1. These 1D NMR observations were corroborated by 2D C-H correlation spectra and mass analysis, and the existence of C1 was unambiguously ascertained. Along the same lines, L4 and L5 were treated with a palladium precursor to produce [L4/SPdMe(Lu)]-type complexes C2-C3 in 55-84\% yield, and their identity was established by using a combination of spectroscopic tools, analytical methods, and single-crystal X-ray diffraction. The synthetic utility of C1-C3 has been demonstrated by utilizing these complexes in the insertion polymerization of ethylene to polyethylene.

}, issn = {2470-1343}, doi = {10.1021/acsomega.9b00709}, author = {Deshmukh, Satej S. and Gaikwad, Shahaji R. and Mote, Nilesh R. and Manod, M. and Gonnade, Rajesh G. and Chikkali, Samir H.} } @article {45509, title = {New approach for the synthesis of miktoarm star polymers through a combination of thiol-epoxy {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} chemistry and ATRP/Ring-opening polymerization techniques}, journal = {Journal of Polymer Science Part A-Polymer Chemistry}, volume = {57}, year = {2019}, month = {JAN }, pages = {146-156}, type = {Article}, abstract = {

A new approach was developed for synthesis of certain A(3)B(3)-type of double hydrophilic or amphiphilic miktoarm star polymers using a combination of {\textquoteleft}{\textquoteleft}grafting onto{\textquoteright}{\textquoteright} and {\textquoteleft}{\textquoteleft}grafting from{\textquoteright}{\textquoteright} methods. To achieve the synthesis of desired miktoarm star polymers, acetyl protected poly(ethylene glycol) (PEG) thiols (M-n = 550 and 2000 g mol(-1)) were utilized to generate A(3)-type of homoarm star polymers through an in situ protective group removal and a subsequent thiol-epoxy {\textquoteleft}{\textquoteleft}click{\textquoteright}{\textquoteright} reaction with a tris-epoxide core viz. 1,1,1-tris(4-hydroxyphenyl)ethane triglycidyl ether. The secondary hydroxyl groups generated adjacent to the core upon the thiol-epoxy reaction were esterified with alpha-bromoisobutyryl bromide to install atom transfer radical polymerization (ATRP) initiating sites. ATRP of N-isopropylacrylamide (NIPAM) using the three-arm star PEG polymer fitted with ATRP initiating sites adjacent to the core afforded A(3)B(3)-type of double hydrophilic (PEG)(3)[poly(N-isopropylacrylamide)] (PNIPAM)(3) miktoarm star polymers. Furthermore, the generated hydroxyl groups were directly used as initiator for ring-opening polymerization of epsilon-caprolactone to prepare A(3)B(3)-type of amphiphilic (PEG)(3)[poly(epsilon-caprolactone)](3) miktoarm star polymers. The double hydrophilic (PEG)(3)(PNIPAM)(3) miktoarm star polymers showed lower critical solution temperature around 34 degrees C. The preliminary transmission electron microscopy analysis indicated formation of self-assembly of (PEG)(3)(PNIPAM)(3) miktoarm star polymer in aqueous solution. (c) 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 146-156

}, keywords = {Atom transfer radical polymerization (ATRP), miktoarm star polymers, ring-opening polymerization (ROP), thermoresponsive, thiol-epoxy}, issn = {0887-624X}, doi = {10.1002/pola.29278}, author = {Gadwal, Ikhlas and Wadgaonkar, Prakash P. and Ichake, Amol B. and Mane, Shivshankar R.} } @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 {46309, title = {New enantioselective synthesis of antiobesity drug lorcaserin}, journal = {New Journal of Chemistry}, volume = {43}, year = {2019}, month = {NOV }, pages = {16876-16880}, type = {Article}, abstract = {

A simple and efficient enantioselective synthesis of anti-obesity drug lorcaerin starting from easily accessible 3-chlorostyrene oxide has been described for the first time employing hydrolytic kinetic resolution as a source of chirality. The protocol might also be useful in the synthesis of structural variants of lorcaserin.

}, issn = {1144-0546}, doi = {10.1039/c9nj04234b}, author = {Ghotekar, Ganesh S. and More, Devidas A. and Nalla, Viswanadh and Muthukrishnan, M.} } @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 {45616, title = {NHC-catalyzed generation of α,β-unsaturated acylazoliums for the enantioselective synthesis of heterocycles and carbocycles}, journal = {Accounts of Chemical Research}, volume = {52}, year = {2019}, month = {FEB}, pages = {425-436}, type = {Article}, abstract = {

It is reasonable to believe that the chemistry of α,β-unsaturated acylazoliums, catalytically generated through NHCs, will continue to flourish and will lead to amazing results. Future challenges in this area include the applications of this key intermediate in the synthesis of biologically active natural products and drugs.

}, doi = {10.1021/acs.accounts.8b00550 }, author = {Mondal, S. and Yetra, S. R. and Mukherjee, S. and Biju, A. T.} } @inbook {47494, title = {N-heterocyclic carbene-catalyzed stetter reaction and related chemistry}, booktitle = {N-Heterocyclic Carbenes in Organocatalysis}, year = {2019}, publisher = {Wiley}, organization = {Wiley}, chapter = {Chapter 3}, abstract = {The reversal of normal mode of reactivity (umpolung) of aldehydes is the most important application of N-heterocyclic carbenes (NHCs) in organocatalytic transformations. The benzoin condensation and the Stetter reaction are the two historic reactions where NHC reacts with aldehyde to generate acyl anion equivalent, which is subsequently intercepted with another molecule of carbonyl compound or Michael acceptor leading to the formation of the benzoin/Stetter products. The objective of this chapter is to provide an overview on NHC-catalyzed Stetter reaction and related chemistry. The development of various chiral catalysts for enantioselective intra- or intermolecular Stetter reaction has been described. Additionally, recent progress on NHC-catalyzed addition of aldehyde to unactivated multiple bonds in the hydroacylation reaction has been demonstrated.}, issn = {Online ISBN: 9783527809042}, doi = {10.1002/9783527809042.ch3}, author = {Mondal, Santigopal and Yetra, Santhivardhana R. and Biju, Akkattu T.} } @article {46021, title = {N-Heterocyclic carbene-catalyzed umpolung of imines for the enantioselective synthesis of dihydroquinoxalines}, journal = {ACS Catalysis}, volume = {9}, year = {2019}, month = {MAY}, pages = {4065-4071}, type = {Article}, abstract = {

N-heterocyclic carbene (NHC) organocatalysis is widely employed for the umpolung of aldehydes and recently to the umpolung of Michael acceptors and aldimines. Described herein is the NHC-organocatalyzed umpolung of aldimines for the enantioselective synthesis of nitrogen heterocycles. The bisimines generated from the condensation of 1,2-phenylenediamines and salicylaldehydes undergo intramolecular cyclization in the presence of a chiral NHC catalyst, resulting in the formation of dihydroquinoxalines in moderate to good yields and er values. Detailed DFT studies shed light on the role of -OH groups in stabilizing the initially generated aza-Breslow intermediates via intramolecular hydrogen bonds. Preliminary photophysical studies on the synthesized dihydroquinoxalines revealed that these molecules can be used for the sensing of various acids and bases.

}, keywords = {dihydroquinoxalines, imines, N-heterocyclic carbenes, organocatalysis, umpolung}, issn = {2155-5435}, doi = {10.1021/acscatal.9b00737}, author = {Das, Tamal Kanti and Ghosh, Avik and Balanna, Kuruva and Behera, Pradipta and Gonnade, Rajesh G. and Marelli, Udaya Kiran and Das, Abhijit Kumar and Biju, Akkattu T.} } @article {45593, title = {Nickel and cobalt affect galactosylation of recombinant IgG expressed in CHO cells.}, journal = {BioMetals}, volume = {32}, year = {2019}, month = {OCT}, pages = {11-19}, type = {Article}, abstract = {

Glycosylation is an important product quality attribute of antibody biopharmaceuticals. It involves enzymatic addition of oligosaccharides on proteins by sequential action of glycosyltransferases and glycosidases in the endoplasmic reticulum and golgi. Some of these enzymes like galactosyltransferase and N-acetylglucosaminyltransferase-I require trace metal cofactors. Variations in trace metal availability during production can thus affect glycosylation of recombinant glycoproteins such as monoclonal antibodies. Variability in trace metal concentrations can be introduced at multiple stages during production such as due to impurities in raw materials for culture medium and leachables from bioreactors. Knowledge of the effect of various trace metals on glycosylation can help in root-cause analysis of unintended variability in glycosylation. In this study, we investigated the effect of nickel and cobalt on glycosylation of recombinant IgG expressed in Chinese hamster ovary cells. Nickel concentrations below 500 {\textmu}M did not affect glycosylation, but above 500 {\textmu}M it significantly decreases galactosylation of IgG. Cobalt at 50 {\textmu}M concentration causes slight increase in G1F glycans (mono galactosylated) as previously reported. However, higher concentrations result in a small increase in G0F (non galactosylated) glycans. This effect of nickel and cobalt on galactosylation of recombinant IgG can be reversed by supplementation of uridine and galactose which are precursors to UDP-Galactose, a substrate for the enzymatic galactosylation reaction.

}, keywords = {cobalt, Galactosylation, glycosylation, Nickel, Process variability, Trace metals}, issn = {0966-0844}, doi = {10.1007/s10534-018-0152-0}, author = {Prabhu, A. and Gadgil, M.} } @article {46323, title = {Nickel-catalyzed C(2)-H arylation of indoles with aryl chlorides under neat conditions}, journal = {Journal of Organic Chemistry}, volume = {84}, year = {2019}, month = {OCT}, pages = {12800-12808}, type = {Article}, abstract = {

Nickel-catalyzed regioselective C(2)-H arylation of indoles and pyrroles with aryl chlorides is achieved under neat conditions. This method allows the efficient coupling of diverse aryl chlorides employing a user-friendly and inexpensive Ni(OAc)(2)/dppf catalyst system at 80 degrees C. Numerous functionalities, such as halides, alkyl ether, fluoro-alkyl ether, and thioether, and substituted amines, including heteroarenes like benzothiazolyl, pyrrolyl, indolyl, and carbazolyl, are well tolerated under the reaction conditions. The preliminary mechanistic study highlights a single-electron transfer (SET) pathway for the arylation reaction.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.9b01375}, author = {Pandey, Dilip K. and Vijaykumar, Muniyappa and Punji, Benudhar} } @article {46311, title = {Nickel-catalyzed C-H alkylation of indoles with unactivated alkyl chlorides: evidence of a Ni(i)/Ni(iii) pathway}, journal = {Chemical Science}, volume = {10}, year = {2019}, month = {NOV}, pages = {9493-9500}, type = {Article}, abstract = {

A mild and efficient nickel-catalyzed method for the coupling of unactivated primary and secondary alkyl chlorides with the C-H bond of indoles and pyrroles is described which demonstrates a high level of chemo and regioselectivity. The reaction tolerates numerous functionalities, such as halide, alkenyl, alkynyl, ether, thioether, furanyl, pyrrolyl, indolyl and carbazolyl groups including acyclic and cyclic alkyls under the reaction conditions. Mechanistic investigation highlights that the alkylation proceeds through a single-electron transfer (SET) process with Ni(i)-species being the active catalyst. Overall, the alkylation follows a Ni(i)/Ni(iii) pathway involving the rate-influencing two-step single-electron oxidative addition of alkyl chlorides.

}, issn = {2041-6520}, doi = {10.1039/c9sc01446b}, author = {Pandey, Dilip K. and Ankade, Shidheshwar B. and Ali, Abad and Vinod, C. P. and Punji, Benudhar} } @article {45528, title = {Nickel-catalyzed straightforward and regioselective C-H alkenylation of indoles with alkenyl bromides: scope and mechanistic aspect}, journal = {ACS Catalysis}, volume = {9}, year = {2019}, month = {JAN}, pages = {431-441}, type = {Article}, abstract = {

Nickel-catalyzed regioselective C-H bond alkenylation of indoles and related heteroarenes with alkenyl bromides is accomplished under relatively mild conditions. This method allows the straightforward synthesis of C-2 alkenylated indoles employing an air-stable and well-defined nickel catalyst, (bpy)NiBr2, providing a solution to the limitations associated with hydroindolation and oxidative alkenylation. The reaction conceded the coupling of indole derivatives with various alkenyl bromides, such as aromatic and heteroaromatics, alpha- and beta-substituted as well as exo- and endo-cyclic alkenyl compounds. An extensive mechanistic investigation, including controlled study, reactivity experiments, kinetics and labeling studies, and EPR and XPS analyses, highlights that the alkenylation proceeds through a single-electron transfer process comprising an odd-electron oxidative addition of alkenyl bromide. Furthermore, the alkenylation operates via a probable Ni(I)/Ni(III) pathway involving the rate-limiting C-H nickelation of indole.

}, keywords = {alkenylation, C-H activation, indoles, Mechanism, Nickel, single-electron transfer}, issn = {2155-5435}, doi = {10.1021/acscatal.8b04267}, author = {Jagtap, Rahul A. and Vinod, C. P. and Punji, Benudhar} } @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 {46128, title = {NMR structure and dynamics of inhibitory repeat domain variant 12, a plant protease inhibitor from Capsicum annuum, and its structural relationship to other plant protease inhibitors}, journal = {Journal of Biomolecular Structure \& Dynamics}, year = {2019}, month = {APR}, type = {Article; Early Access}, abstract = {

Although several plant protease inhibitors have been structurally characterized using X-ray crystallography, very few have been studied using NMR techniques. Here, we report an NMR study of the solution structure and dynamics of an inhibitory repeat domain (IRD) variant 12 from the wound-inducible Pin-II type proteinase inhibitor from Capsicum annuum. IRD variant 12 (IRD12) showed strong anti-metabolic activity against the Lepidopteran insect pest, Helicoverpa armigera. The NMR-derived three-dimensional structure of IRD12 reveals a three-stranded anti-parallel beta-sheet rigidly held together by four disulfide bridges and shows structural homology with known IRDs. It is interesting to note that the IRD12 structure containing similar to 75\% unstructured part still shows substantial amount of rigidity of N-H bond vectors with respect to its molecular motion. Communicated by Ramaswamy H. Sarma

}, keywords = {Bt transgenic, Capsicum annuum, Helicoverpa armigera, inhibitory repeating domains, NMR structure, Protease inhibitors (PIs)}, issn = {0739-1102}, doi = {10.1080/07391102.2019.1607559, Early Access Date = APR, Early Access Year = 2019}, author = {Gartia, Janeka and Anangi, Raveendra and Joshi, Rakesh S. and Giri, Ashok P. and King, Glenn F. and Barnwal, Ravi P. and Chary, Kandala V. R.} } @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} } @inbook {47486, title = {Noncovalent interactions in hydrogenation and hydroformylation}, booktitle = {Noncovalent Interactions in Catalysis}, number = {RSC Catalysis Series}, year = {2019}, publisher = {RSC}, organization = {RSC}, abstract = {This chapter summarizes the fundamentals of hydrogenation and hydroformylation reactions. An overview of state-of-the-art developments is presented to set the context. Subsequently, the significance of noncovalent interactions in these reactions is discussed in detail. Hydrogen bonding has been one of the leading noncovalent interactions that has been very frequently used in catalysis, including hydrogenation and hydroformylation reactions. Recent examples from the literature are presented to illustrate the role of hydrogen bonding in hydrogenation and hydroformylation. The impact of hydrogen bonding on catalyst development through self-assembly and the role of hydrogen bonding in directing a substrate to achieve high enantiomeric excess are discussed.}, doi = {10.1039/9781788016490-00168}, author = {Koshti, Vijay S. and Chikkali, Samir H.} } @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 {46172, title = {Nuclear parity- and time-reversal-symmetry violation in the (HgH)-Hg-201 molecule}, journal = {Physical Review A}, volume = {99}, year = {2019}, month = {MAR }, pages = {032503}, type = {Article}, abstract = {

Investigation of the nuclear magnetic quadrupole moment (MQM) is an excellent way to reveal the new physics in the hadron sector of matter. Therefore, we investigate the violation of parity (P) and time-reversal (T) invariance induced by the MQM of the( 201) Hg nucleus in the HgH molecule, which has been proposed as a very promising candidate for the experimental search of the electric dipole moment of electron [M. G. Kozlov and A. Derevianko, Phys. Rev. Lett. 97, 063001 (2006)]. We report the precise value of the molecular parameter, W-M, associated with the P, T-odd nuclear MQM-electron interaction in (HgH)-Hg-201 using the four-component relativistic coupled-cluster method. This parameter is required to interpret the experimental P, T-odd frequency shift in terms of the MQM of nuclei. Furthermore, the magnetic hyperfine structure (HFS) constants of the molecule are computed at the same level of theory. We also study the role of core-correlating functions and the virtual energy functions in the calculations of the HFS constant and W-M. The most reliable value of W(M )in HgH is obtained as 3.22 x 10 (33) Hz/e cm (2) with an uncertainty of around 6\%.

}, issn = {2469-9926}, doi = {10.1103/PhysRevA.99.032503}, author = {Talukdar, Kaushik and Nayak, Malaya K. and Vaval, Nayana and Pal, Sourav} } @article {46659, title = {NADP-dependent glutamate dehydrogenases in a dimorphic zygomycete Benjaminiella poitrasii: purification, characterization and their evaluation as an antifungal drug target}, journal = {Biochimica Et Biophysica Acta-General Subjects}, volume = {1864}, year = {2020}, month = {NOV}, pages = {129696}, type = {Article}, abstract = {

Background: It has been reported that the genes coding for NADP-dependent glutamate dehydrogenases (NADP-GDHs) showed a cause-effect relationship with Yeast-Hypha (Y-H) reversible transition in a zygomycete Benjaminiella poitrasii. As Y-H transition is significant in human pathogenic fungi for their survival and proliferation in the host, the NADP-GDHs can be explored as antifungal drug targets. Methods: The yeast-form specific BpNADPGDH I and hyphal-form specific BpNADPGDH II of B. poitrasii were purified by heterologous expression in E. coll. BL-21 cells and characterized. The structural analogs of L-glutamate, dimethyl esters of isophthalic acid (DMIP) and its derivatives were designed, synthesized and screened for inhibition of NADP-GDH activity as well as Y-H transition in B. poitrasii, and also in human pathogenic Candida albicans strains. Results: The BpNADPGDH I and BpNADPGDH II were found to be homo-hexameric proteins with native molecular mass of 282 kDa and 298 kDa, respectively and subunit molecular weights of 47 kDa and 49 kDa, respectively. Besides the distinct kinetic properties, BpNADPGDH I and BpNADPGDH II were found to be regulated by cAMP-dependent- and Calmodulin (CaM) dependent- protein kinases, respectively. The DMIP compounds showed a more pronounced effect on H-form specific BpNADPGDH II and inhibited Y-H transition as well as growth in B. poitrasii and C. albicans strains. Conclusion: The present study will be useful to design and develop antifungal drugs against dimorphic human pathogens using glutamate dehydrogenase as a target. Significance: Glutamate dehydrogenases can be explored as a target against human pathogenic fungi.

}, keywords = {Antifungal compound, Benjaminiella poitrasii, Candida albicans, Dimethyl esters and amides of isophthalic acid, dimorphism, Enzyme inhibition, NADP-glutamate dehydrogenases}, issn = {0304-4165}, doi = {10.1016/j.bbagen.2020.129696}, author = {Pathan, Ejaj K. and Kulkarni, Anand M. and Prasanna, Nallaballe V. L. and Ramana, V, Chepuri and Deshpande, V, Mukund} } @article {46898, title = {Nafion lonomer-based single component electrolytes for aqueous Zn/MnO2 batteries with long cycle life}, journal = {ACS Sustainable Chemistry \& Engineering}, volume = {8}, year = {2020}, month = {APR }, pages = {5040-5049}, type = {Article}, abstract = {

Recently, aqueous rechargeable Zn/MnO2 batteries are emerging as promising energy storage aids owing to their improved safety, low cost of fabrication, and high energy density. However, the rapid decay of capacity during extended charge- discharge cycles hinders the prospect of this technology beyond lab-scale. In the conventional Zn/MnO2 cell, additives such as Mn2+ have been used to tackle the stability issue. Here, we demonstrate that cycling performance of the Zn/MnO2 cell can be improved substantially by using Nafion ionomer as the separator in combination with zinc-ion conducting electrolytes. The Nafion ionomer-based Zn/MnO2 cells do not require any Mn{\textquoteright} additive in the electrolyte and hence termed as {\textquoteleft}{\textquoteleft}single component{\textquoteright}{\textquoteright} electrolytes. The postmortem study of the post-cycled electrodes reveals that the structural evolution of both the anode and cathode in various electrolytes (1 M Zn(CF3SO3)(2), 1 M ZnSO4 center dot 7H(2)O, and 3 M ZnSO4 center dot 7H(2)O) during prolonged cycling significantly influences the cycle life of the respective cells. Optimizing the Nafion ionomer membrane with a suitable electrolyte could render the desired combination of high capacity and high cycle life for a Zn/MnO2 cell.

}, keywords = {aqueous Zn-ion batteries, Cycling stability, dendrite suppression, Electrodeposition, MnO2, Nafion ionomer separator, single component electrolyte}, issn = {2168-0485}, doi = {10.1021/acssuschemeng.9b06798}, author = {Ghosh, Meena and Vijayakumar, Vidyanand and Anothumakkool, Bihag and Kurungot, Sreekumar} } @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 {47158, title = {Nanoparticle size-fractionation through self-standing porous covalent organic framework films}, journal = {Angewandte Chemie-International Edition}, volume = {59}, year = {2020}, month = {JAN}, pages = {1161-1165}, type = {Article}, abstract = {

Covalent organic frameworks (COFs) have attracted attention due to their ordered pores leading to important industrial applications like storage and separation. Combined with their modular synthesis and pore engineering, COFs could become ideal candidates for nanoseparations. However, the fabrication of these microcrystalline powders as continuous, crack-free, robust films remains a challenge. Herein, we report a simple, slow annealing strategy to construct centimeter-scale COF films (Tp-Azo and Tp-TTA) with micrometer thickness. The as-synthesized films are porous (SA(BET)=2033 m(2) g(-1) for Tp-Azo) and chemically stable. These COFs have distinct size cut-offs (ca. 2.7 and ca. 1.6 nm for Tp-Azo and Tp-TTA, respectively), which allow the size-selective separation of gold nanoparticles. Unlike, other conventional membranes, the durable structure of the COF films allow for excellent recyclability (up to 4 consecutive cycles) and easy recovery of the gold nanoparticles from the solution.

}, keywords = {covalent organic frameworks, films, nanofilter, Nanoparticles, size-selective separation}, issn = {1433-7851}, doi = {10.1002/anie.201912381, Early Access Date = DEC 2019}, author = {Dey, Kaushik and Kunjattu, Shebeeb H. and Chahande, Anurag M. and Banerjee, Rahul} } @article {47318, title = {Nanoporous covalent organic framework embedded with Fe/Fe3O4 nanoparticles as air-stable low-density nanomagnets}, journal = {ACS Applied Nano Materials}, volume = {3}, year = {2020}, month = {SEP }, pages = {9088-9096}, type = {Article}, abstract = {

Covalent organic frameworks (COFs) made of light atoms such as H, C, N, and O with a significant void-to-framework ratio are excellent low-density supports for nanoparticles (nPs). Their framework can be precoded with heteroatoms to ensure binding with metallic nanoclusters. With these advantages, if controlled amounts of magnetic nPs are anchored to them, they can yield low-density organic-inorganic nanomagnets. Their organic nature facilitates fusion with bulk materials such as paper/textile to enable bulk composites with well-dispersed low-density magnets, which have potential for defense and next-generation aviation applications. Herein, we have grown small Fe/Fe3O4 nPs (5-18 wt \%) inside a COF. Interestingly, 300 mg of this organic-inorganic framework material (containing 50 mg of nPs) can lift a vial of similar to 15,000 mg (300 times heavier). Also, the hydrophobic COF wraps around the Fe/Fe3O4 nanocluster retaining its room-temperature magnetic character even after 1 year, while the naked nPs lose it within a few days because of air oxidation. Bulk composites with paper and polymers have been made using this low-density Fe-COF to demonstrate their processability.

}, keywords = {air-stable nanomagnets, Covalent organic framework, Fe/Fe3O4 nanoparticles, low-density nanomagnets, magnetic rayon, nanoporous COF}, issn = {2574-0970}, doi = {10.1021/acsanm.0c01762}, author = {Kushwaha, Rinku and Kaleeswaran, Dhananjayan and Haldar, Sattwick and Chakraborty, Debanjan and Mullangi, Dinesh and Borah, Aditya and Vinod, Chathakudath P. and Murugavel, Ramaswamy and Vaidhyanathan, Ramanathan} } @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} } @inbook {47306, title = {Nanorobots for in vivo monitoring: the future of nano-implantable devices}, booktitle = {Nanobiomaterial Engineering }, year = {2020}, pages = {227-252}, publisher = {Springer}, organization = {Springer}, abstract = {

Innovation is important for the healthcare system advancement, in order to continue delivering the high-quality care at an affordable cost to the society. It can be achieved by nonconventional thinking, tapping into creative minds, and extensive collaborative work to make better use of existing facilities and designing new technologies. Nanorobotics is such an innovation that can revolutionize the current face of medicine and biomedical sciences with their state-of-the-art technology. Improved outcomes of nanorobots-based treatments for diabetes, drug delivery for pancreatic and ovarian cancer, and laparoscopic treatment of skin cancer have already been reported. This book chapter will cover the recent advancements of this emerging field with their biomedical applications.

}, doi = {10.1007/978-981-32-9840-8_12}, author = {Gandhi, Mamta and Nigam, Preeti} } @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 {46852, title = {NetConfer: a web application for comparative analysis of multiple biological networks}, journal = {BMC Biology}, volume = {18}, year = {2020}, month = {MAY}, pages = {53}, type = {Article}, abstract = {

Background Most biological experiments are inherently designed to compare changes or transitions of state between conditions of interest. The advancements in data intensive research have in particular elevated the need for resources and tools enabling comparative analysis of biological data. The complexity of biological systems and the interactions of their various components, such as genes, proteins, taxa, and metabolites, have been inferred, represented, and visualized via graph theory-based networks. Comparisons of multiple networks can help in identifying variations across different biological systems, thereby providing additional insights. However, while a number of online and stand-alone tools exist for generating, analyzing, and visualizing individual biological networks, the utility to batch process and comprehensively compare multiple networks is limited. Results Here, we present a graphical user interface (GUI)-based web application which implements multiple network comparison methodologies and presents them in the form of organized analysis workflows. Dedicated comparative visualization modules are provided to the end-users for obtaining easy to comprehend, insightful, and meaningful comparisons of various biological networks. We demonstrate the utility and power of our tool using publicly available microbial and gene expression data. Conclusion NetConfer tool is developed keeping in mind the requirements of researchers working in the field of biological data analysis with limited programming expertise. It is also expected to be useful for advanced users from biological as well as other domains (working with association networks), benefiting from provided ready-made workflows, as they allow to focus directly on the results without worrying about the implementation. While the web version allows using this application without installation and dependency requirements, a stand-alone version has also been supplemented to accommodate the offline requirement of processing large networks.

}, keywords = {Bioinformatics, biological networks, Interaction networks, Network comparison, visualization}, doi = {10.1186/s12915-020-00781-9}, author = {Nagpal, Sunil and Baksi, Krishanu Das and Kuntal, Bhusan K. and Mande, Sharmila S.} } @article {46668, title = {NetConfer: a web application for comparative analysis of multiple biological networks (vol 18, 53, 2020)}, journal = {BMC Biology}, volume = {18}, year = {2020}, month = {OCT}, pages = {147}, type = {Correction}, abstract = {

An amendment to this paper has been published and can be accessed via the original article.

}, doi = {10.1186/s12915-020-00898-x}, author = {Nagpal, Sunil and Das Baksi, Krishanu and Kuntal, Bhusan K. and Mande, Sharmila S.} } @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 {46899, title = {N-heterocyclic carbene catalysis exploiting oxidative imine umpolung for the generation of imidoyl azoliums}, journal = {Journal of Organic Chemistry}, volume = {85}, year = {2020}, month = {APR }, pages = {5114-5121}, type = {Article}, abstract = {

Although NHC-catalyzed umpolung of imines are known, the related reactions under oxidative conditions are limited. Described herein is the two-step process involving the initial formation of aldimines from the corresponding aldehydes and 2-amino benzyl alcohols followed by NHC-catalyzed cyclization proceeding via the imidoyl azoliums under oxidative conditions. The reaction allowed the synthesis of trifluoromethylated 3,1-benzoxazines in good yields and broad scope. The role of NHC in the intramolecular cyclization and preliminary mechanistic experiments are also provided.

}, issn = {0022-3263}, doi = {10.1021/acs.joc.0c00360}, author = {Das, Tamal Kanti and Madica, Krishnaprasad and Krishnan, Jagadeesh and Marelli, Udaya Kiran and Biju, Akkattu T.} } @article {47144, title = {N-heterocyclic carbene (NHC)-catalyzed transformations for the synthesis of heterocycles}, journal = {Progress in Heterocyclic Chemistry}, volume = {31}, year = {2020}, month = {JAN}, pages = {1-82}, type = {Book Chapter}, abstract = {

N-heterocyclic carbene (NHC)-based organocatalysis has been widely used for unconventional access to various target molecules. The use of chiral NHCs in the process results in the enantioselective synthesis of various heterocycles. The underlying principle of many of the NHC-catalyzed reactions is the remarkable ability of NHCs to reverse the normal mode of reactivity of aldehydes (umpolung). NHCs can catalyze transformations proceeding via the umpolung or nonumpolung mode for the synthesis of various functionalized molecules. The recent advances in the application of NHCs for the synthesis of various heterocyclic compounds are highlighted in this chapter.

}, keywords = {aldehyde umpolung, Aldimine umpolung, benzoin reaction, Breslow intermediates, Enantioselective synthesis, Heterocyclic synthesis, N-Heterocyclic carbene, Stetter reaction}, doi = {10.1016/B978-0-12-819962-6.00001-4}, author = {Das, Tamal Kanti and Biju, Akkattu T.} } @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 {46751, title = {Nonenzymatic glucose detection in human serum using Ni nanoparticles decorated reduced graphene oxide}, journal = {Science of Advanced Materials}, volume = {12}, year = {2020}, month = {AUG}, pages = {1125-1136}, type = {Article}, abstract = {

Reduced Graphene oxide (RGO) decorated with Ni nanoparticles (NiNPs) composites, have been successfully synthesized using a simple hydrothermal method and possessing excellent electrocatalytic activity towards glucose oxidation. The morphological and structural features of RGO-Ni nanocomposites were characterized by field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS) and energy dispersive spectroscopy (EDS). From TEM, we observed that NiNPs were anchored on RGO sheets. Cyclic Voltammetric (CV) study revealed that the electrocatalytic activity of RGO-Ni nanocomposite with 20\% Ni loading (RGONi-20) towards glucose oxidation is better than that shown by bare Glassy Carbon Electrode (GCE), RGO, bare NiNPs, RGONi10 and RGONi-30. The prepared nanocomposites exhibited fast electrocatalytic response (\<5 s) towards glucose oxidation. Amperometric study indicates that the present glucose sensor have exhibited excellent performance by offering a lowest detection limit as 5.1 mu M, with linier range from 2 to 5000 mu M and high sensitivity of 896.67 mu A mM(-1) cm(-2). Interference from different anticipatable electroactive substances such as ascorbic acid (AA), uric acid (UA) and dopamine (DA) is not observed. Furthermore, the application of the as prepared sensor was successfully demonstrated for the detection of glucose in human serum and results were comparable to presently used nonenzymatic technique. RGONi-20 nanocomposite electrode holds great promise for the development of biosensors and other electrochemical devices.

}, keywords = {Electrochemical, Glucose Sensor, Graphene-Nickel Nanoparticles, hydrothermal, Nanocomposite, Nonenzymatic}, issn = {1947-2935}, doi = {10.1166/sam.2020.3776}, author = {Waichal, Rupali and Bhirud, Ashwini and Fouad, H. and Gosavi, Suresh and Ashokkumar, Muthupandian} } @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 {46948, title = {Novel hybrid cavitation process for enhancing and altering rate of disinfection by use of natural oils derived from plants}, journal = {Ultrasonics Sonochemistry}, volume = {61}, year = {2020}, month = {MAR}, pages = {104820}, type = {Article}, abstract = {

The present study is an attempt to improvise the hydrodynamic cavitation methodology for effective disinfection of water and also to suggest prototype development for practical application. The enhancement in the disinfection efficiency was evaluated specifically for the effect of pressure, temperature, pH, microbial inoculum size and also on effect of different additives for the two model microbial strains, gram-negative (Escherichia coli) and gram-positive (Staphylococcus aureus). The efficacy of the hydrodynamic cavitation is evaluated for the two types of flows/cavitation devices - linear flow in the case of orifice and vortex flow for vortex diode. The vortex diode requires significantly lower pressures, 50\% lower as compared to orifice for the similar extent of disinfection. While the bacterial disinfection at high temperature is known, the usefulness of hydrodynamic cavitation is especially evident at ambient conditions and the process is effective even at very high concentrations of bacteria, not reported so far. The reactor geometry also has significant effect on the disinfection. The present study, for the first time, reports possible use of different natural oils such as castor oil, cinnamon oil, eucalyptus oil and clove oil in conjunction with hydrodynamic cavitation. The nature of oil modifies the cavitation behavior and an order of magnitude enhancement in the cavitation rate was observed for the two oils, eucalyptus and clove oil for a very small concentration of 0.1\%. The increased rates of disinfection, of the order of 2-4 folds, using oil can drastically reduce the time of operation and consequently reduce cost of disinfection. A possible mechanism is proposed for the effect of oil and hydrodynamic cavitation in cell destruction through the rupture of cell wall, oxidative damage and possible DNA denaturation. A cavitation model using per pass disinfection was used to correlate the data. The increased efficiency using oils and possible benefits of the developed process, where natural oils can be perceived as biocatalysts, can have significant advantages in practical applications.

}, keywords = {Antimicrobial, Cavitation, Disinfection, Oil, Wastewater treatment}, issn = {1350-4177}, doi = {10.1016/j.ultsonch.2019.104820}, author = {Mane, Maya B. and Bhandari, Vinay M. and Balapure, Kshama and Ranade, Vivek V.} } @article {46974, title = {Novel pharmaceutical cocrystals and salts of bumetanide}, journal = {Crystal Growth \& Design}, volume = {20}, year = {2020}, month = {FEB}, pages = {793-803}, type = {Article}, abstract = {

New crystalline forms of bumetanide, namely, four cocrystals, two salts, and one salt-cocrystal were crystallized. Urea and lactams such as valerolactam, caprolactam, and N-methyl caprolactam formed cocrystals with bumetanide, whereas 4-aminopyridine gave a salt. Piperazine afforded a salt hydrate, and 5-fluorocytosine gave a salt-cocrystal. The supramolecular synthons in bumetanide-lactam cocrystals are an amide dimer between drug and coformer, and acid homo dimer between bumetanide molecules. In bumetanide salts, the acid proton is transferred from bumetanide to coformer amine, whereas in bumetanide salt-cocrystal proton transfer and free acid were observed in the crystal structure. Similarly, the cytosine salt-cocrystal of bumetanide and fluorocytosine also gave a salt-cocrystal adduct. The acid proton of bumetanide is transferred to the 2-amino pyridine base of cytosine as a salt, and on the other side of the drug molecule the sulfonamide interacts with the syn amide part of cytosine. Furthermore, solubility, dissolution, and diffusion membrane permeability experiments were performed on all new solid forms. The piperazine salt shows high dissolution and permeability crossover when compared to other binary forms of bumetanide.

}, issn = {1528-7483}, doi = {10.1021/acs.cgd.9b01195}, author = {Allu, Suryanarayana and Bolla, Geetha and Tothadi, Srinu and Nangia, Ashwini K.} } @article {46805, title = {Novel Ru nanoparticle catalysts for the catalytic transfer hydrogenation of biomass-derived furanic compounds}, journal = {Sustainable Energy \& Fuels}, volume = {4}, year = {2020}, month = {JUL }, pages = {3654-3667}, type = {Article}, abstract = {

The catalytic transfer hydrogenation (CTH) reaction was investigated for boosting the reduction of biomass-derived furanic compounds to obtain high-quality liquid biofuels. The CTH of 5-hydroxymethylfurfural (HMF) to 2,5-dimethylfuran (DMF) and furfural to 2-methylfuran (MF) was thoroughly studied over the Ru, Pd, Au, Pt, Ni, Rh and Cu metal catalysts supported on nitrogen-doped mesoporous carbons (NMCs) by utilizing 2-propanol as a source of hydrogen. The structural characteristics of the materials were examined by employing various physico-chemical methods, such as XRD, N(2)sorption, CHN analysis, XPS, FT-IR spectroscopy, H-2-TPR, TEM, CO2-TPD, ICP-OES and Raman spectroscopy. The influence of the N content, basicity of the catalyst, reaction temperature, hydrogen donor, nature of the catalyst support and transition metal was systematically investigated with regard to the substrate conversions and product yields. The correlation between the N content (wt\%) of the catalysts and the Ru nanoparticle size (nm) and turnover frequency (h(-1)) was also investigated. Highly dispersed Ru nanoparticles (1.9 nm) supported on NMC displayed admirable catalytic performance in CTH for the conversion of HMF to DMF and furfural to MF. The catalyst Ru-NMC with a good N content (11.4 wt\%) gave 84 and 87 mol\% yields of DMF and MF, respectively, with 2-propanol as the source of hydrogen under mild reaction conditions. In addition, this catalyst demonstrated excellent recyclability. The better catalytic activity of the Ru-NMC catalyst in the CTH of HMF and furfural was credited to the small size of the Ru metal nanoparticles (1.9 nm), high N content, superior metal-support interaction and mesoporous framework of the catalyst.

}, issn = {2398-4902}, doi = {10.1039/d0se00361a}, author = {Nagpure, Atul S. and Gogoi, Pranjal and Lucas, Nishita and Chilukuri, V. Satyanarayana} } @article {46854, title = {Novel synthesis of 3-((benzo[d]thiazol-2-ylamino)(phenyl)methyl)-4-hydroxy-1-methylquinol in-2(1H)-one via consecutive C-C and C-N bond formation in water}, journal = {Research on Chemical Intermediates}, volume = {46}, year = {2020}, month = {AUG}, pages = {3801-3815}, type = {Article}, abstract = {

A simple, efficient, and eco-friendly protocol has been developed for the synthesis of novel 3-((benzo[d]thiazol-2-ylamino)(4-methoxyphenyl)methyl)-4-hydroxy-1-met hylquinolin-2(1H)-one derivatives using a one-pot C-C and C-N bond forming strategy from the reaction of 4-hydroxy-1-methylquinolin-2(1H)-one, 2-aminobenzothiazole and aromatic aldehydes in aqueous solvent without using any metal catalyst. Several advantages of this protocol include its operational simplicity, short reaction time, mild reaction condition, efficient utilization of all the reactants, wide functional group tolerance, using water as an environmentally friendly solvent and non-chromatographic purification procedure. [GRAPHICS] .

}, keywords = {4-Hydroxy-1-methylquinolin-2(1H)-one, Green solvent, Multicomponent reactions (MCRs), Quinolines, Thiazole}, issn = {0922-6168}, doi = {10.1007/s11164-020-04173-0, Early Access Date = MAY 2020}, author = {Yadav, Maruti B. and Vagh, Sandip S. and Jeong, Yeon Tae} } @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 {47419, title = {Naphthalene dianhydride organic anode for a {\textquoteleft}rocking-chair{\textquoteright} zinc-proton hybrid ion battery}, journal = {Dalton Transactions}, volume = {50}, year = {2021}, month = {MAR }, pages = {4237-4243}, type = {Article}, abstract = {

Rechargeable batteries consisting of a Zn metal anode and a suitable cathode coupled with a Zn2+ ion-conducting electrolyte are recently emerging as promising energy storage devices for stationary applications. However, the formation of high surface area Zn (HSAZ) architectures on the metallic Zn anode deteriorates their performance upon prolonged cycling. In this work, we demonstrate the application of 1,4,5,8-naphthalenetetracarboxylic dianhydride (NTCDA), an organic compound, as a replacement for the Zn-metal anode enabling the design of a {\textquoteleft}rocking-chair{\textquoteright} zinc-proton hybrid ion battery. The NTCDA electrode material displays a multi-plateau redox behaviour, delivering a specific discharge capacity of 143 mA h g(-1) in the potential window of 1.4 V to 0.3 V vs. Zn|Zn2+. The detailed electrochemical characterization of NTCDA in various electrolytes (an aqueous solution of 1 M ZnOTF, an aqueous solution of 0.01 M H2SO4, and an organic electrolyte of 0.5 M ZnOTF/acetonitrile) reveals that the redox processes leading to charge storage involve a contribution from both H+ and Zn2+. The performance of NTCDA as an anode is further demonstrated by pairing it with a MnO2 cathode, and the resulting MnO2||NTCDA full-cell (zinc-proton hybrid ion battery) delivers a specific discharge capacity of 41 mA h g(total)(-1) (normalized with the total mass-loading of both anode and cathode active materials) with an average operating voltage of 0.80 V.

}, issn = {1477-9226}, doi = {10.1039/d0dt04404k}, author = {Ghosh, Meena and Vijayakumar, Vidyanand and Kurian, Maria and Dilwale, Swati and Kurungot, Sreekumar} } @article {47776, title = {Neem derivatives inhibits tau aggregation}, journal = {Journal of Alzheimer s Disease Reports}, volume = {3}, year = {2021}, month = {JAN}, pages = {169-178}, type = {Article}, abstract = {Tau is a phosphoprotein with natively unfolded conformation that functions to stabilize microtubules in axons. Alzheimer{\textquoteright}s disease pathology triggers several modifications in tau, which causes it to lose its affinity towards microtubule, thus, leading to microtubule disassembly and loss of axonal integrity. This elicit accumulation of tau as paired helical filaments is followed by stable neurofibrillary tangles formation. A large number of small molecules have been isolated from Azadirachta indica with varied medicinal applications. The intermediate and final limonoids, nimbin and salannin respectively, isolated from Azadirachta indica, were screened against tau aggregation. ThS and ANS fluorescence assay showed the role of intermediate and final limonoids in preventing heparin induced cross-β sheet formation and also decreased hydrophobicity, which are characteristic nature of tau aggregation. Transmission electron microscopy studies revealed that limonoids restricted the aggregation of tau to fibrils; in turn, limonoids led to the formation of short and fragile aggregates. Both the limonoids were non-toxic to HEK293T cells thus, substantiating limonoids as a potential lead in overcoming Alzheimer{\textquoteright}s disease.}, doi = {10.3233/ADR-190118}, author = {Nalini, Gorantla Vijay and Das, Rashmi and Mulani, Fayaj Alam and Thulasiram, Hirekodathakallu V. and Chinnathambi, Subashchandrabose} } @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 {47676, title = {Ni-catalyzed highly enantioselective synthesis of sulfur protected P-stereogenic supramolecular phosphine}, journal = {Journal of Chemical Sciences}, volume = {133}, year = {2021}, month = {DEC}, pages = {119}, type = {Article}, abstract = {As phosphines readily invert, the synthesis of P-chiral phosphines is a challenging task and has been rarely investigated. We report the synthesis of a nickel complex [Ni-((S,S)Me-FerroLANE)(phenyl)(I)] (Ni-Cat.1) and its performance in a P-C coupling reaction to generate P-chiral phosphine. The Ni-Cat.1 was synthesized by mixing ligand (S,S) Me-FerroLANE with the metal precursor [(diphenylphosphanyl)nickel(phenyl)(I)] in good yield. Ni-Cat.1 was characterized using different spectroscopic and analytical techniques. Treatment of racemic methyl(phenyl)phosphine (1) with 1-(3-iodophenyl)urea (2) produced the corresponding P-chiral supramolecular phosphine (3). Optimization of reaction parameters produced sulfur protected phosphine N-(3-(methyl(phenyl)phosphorothioyl)phenyl)formamide (3{\textquoteright}) with excellent enantiomeric excess (99\% ee) and moderate conversion (51\%).}, keywords = {Asymmetric synthesis, Nickel catalyst, P-C coupling, P-Stereogenic phosphine, supramolecular ligands}, issn = {0974-3626}, doi = {10.1007/s12039-021-01978-3}, author = {Koshti(S), Vijay S. and Chandanshive, Amol C. and Mote, Nilesh R. and Chikkali, Samir H.} } @article {47412, title = {Nickel-catalyzed C-H bond functionalization of azoles and indoles}, journal = {Chemical Record}, volume = {21}, year = {2021}, month = {DEC}, pages = {3573-3588}, type = {Article}, abstract = {

Direct C-H functionalization of privileged and biologically relevant azoles and indoles represents an important chemical transformation in molecular science. Despite significant progress in the palladium-catalyzed regioselective C-H functionalization of azoles and indoles, the use of abundant and less expensive nickel catalyst is underdeveloped. In the recent past, the nickel-catalyzed regioselective C-H alkylation, arylation, alkenylation and alkynylation of azoles and indoles have been substantially explored, which can be applied to the complex organic molecule synthesis. In this Account, we summarize the developments in nickel-catalyzed regioselective functionalization of azoles and indoles with a considerable focus on the reaction mechanism.

}, keywords = {azoles, C-C Bond formation, C-H functionalization, indoles, Nickel}, issn = {1527-8999}, doi = {10.1002/tcr.202100113, Early Access Date = JUN 2021}, author = {Jagtap, Rahul A. and Punji, Benudhar} } @article {47396, title = {Nickel-catalyzed difunctionalization of alkynyl bromides with thiosulfonates and N-arylthio succinimides: a convenient synthesis of 1,2-thiosulfonylethenes and 1,1-dithioethenes}, journal = {Synthesis-Stuttgart}, year = {2021}, month = {APR }, type = {Article; Early Access}, abstract = {

An efficient nickel-catalyzed vicinal thiosulfonylation of 1bromoalkynes with thiosulfonates in the presence of cesium carbonate is described. An operationally simple and highly regioselective atom transfer radical addition (ATRA) of alkynyl bromides provides a wide range of (E)-1,2-thiosulfonylethenes (alpha-aryl-beta-thioarylvinyl sulfones) in moderate to high yields. The extensive substrate scope of both alkynyl bromides and thiosulfonates is explored with a broad range of functional groups. Indole-derived 1,1- bromoalkenes were also successfully explored in this 1,2-thiosulfonylation process. Moreover, the nickel-catalyzed geminal- dithiolation of alkynyl bromides with N-arylthio succinimides provides 1,1-dithioalkenes in high yields. The present protocol is reliable on gram scale, and a sequential one-pot bromination and thiosulfonylation of phenylacetylene is achieved in a scale-up synthesis. Following control experiments, a plausible mechanism is proposed to rationalize the experimental outcome and the vicinal thiosulfonylation.

}, keywords = {alkynyl bromides, atom transfer radical addition (ATRA), thiosulfonates, thiosulfonylation, vinyl thiosulfones}, issn = {0039-7881}, doi = {10.1055/a-1482-2486, Early Access Date = APR 2021}, author = {Kumari, Arram Haritha and Kumar, Jangam Jagadesh and Krishna, Gamidi Rama and Reddy, Raju Jannapu} } @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 {47447, title = {Nitrogen activation to reduction on a recyclable V-SAC/BN-graphene heterocatalyst sifted through dual and multiphilic descriptors}, journal = {Journal of Colloid and Interface Science}, volume = {600}, year = {2021}, month = {MAY}, pages = {480-491}, type = {Article}, abstract = {

Efficient reduction of nitrogen to ammonia at a minimal cost would require a recherche catalyst tailored by assimilating the inherent electronic and reactive nature of Single Atom Catalysts (SACs) on heteroatom doped-graphene. A full-scale DFT study accounting for disparate descriptions of atomic orbitals and representation of support, has been carried out to identify the most active and recyclable SAC/B-graphene composite as catalyst for Nitrogen Reduction Reaction (NRR). Dual and Multiphilic descriptors derived reactivity pattern of six different metal SACs V, Fe, Ni, Ru, W and Re on periodic and non-periodic paradigms of pristine and BN-pair doped graphene supports, align with the calculated chemisorption efficacy and activation of N2. The enzymatic route of nitrogen reduction on three most ideal metal SACs (V, W and Re) culminates Vanadium SAC, a relatively cheaper metal, anchored on BNring-graphene with an energy barrier of ⩽1.24 eV as a highly active and recyclable catalyst for NRR.

}, doi = {10.1016/j.jcis.2021.05.027}, author = {Maibam, Ashakiran and Krishnamurty, Sailaja} } @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 {47813, title = {Na-montmorillonite to Fe(II)-Mt using ferrous citrate/ascorbate obtained by dissolving iron powder}, journal = {Applied Clay Science}, volume = {217}, year = {2022}, month = {FEB}, pages = {106396}, type = {Article}, abstract = {Bentonite containing montmorillonite (Mt) as the major clay mineral is the potential buffer material of engineered barrier system in the deep geological repository for high-level waste management. The corrosion products of canister/or overpack material (carbon steel) may alter the basic characteristics of bentonite through Fe/clay interaction and formation of FeMt to certain extent. A convenient method is required for quantitative preparation of Fe(II)-Mt because the only few direct methods reported have some limitations. For this, weak ferrous complexes having good solubility to facilitate the cation-exchange with bentonite is essential. Therefore, Fe(II)-citrate, Fe(II)-ascorbate and Fe(II)-citrate/ascorbate were obtained here by dissolving the iron powder (Fe0) in citric acid (CA), ascorbic acid (AA) and their equimolar mixtures from 25~mM to 300~mM at 70~{\textdegree}C under N2 atmosphere. The redox potential was measured to monitor the dissolution of Fe0 in these mild organic acids. Higher dissolution of Fe0 occurred in CA~+~AA mixture. The dissolved iron in the form of ferrous complex was reasonably stable in inert atmosphere, Fe2+/Fetotal~≈~1. The parent clay mineral (bentonite, NaMt) was treated with Fe(II)~-~cit/asc to form Fe(II)~-~Mt. through cation exchange process. The CEC and ferrous to ferric ratio of the Fe(II)-Mt was close to the stoichiometric amount. The XRF, XRD, ac impedance, FT-IR, TGA/DSC, XPS and FE-SEM are used for further characterization. In-situ complexation reaction of interlayer Fe2+ ions in Fe(II)-Mt with o-phenanthroline was also observed.}, keywords = {Ascorbic acid, Bentonite, Citric acid, Cr(VI) reduction, Fe(II)-montmorillonite, Iron dissolution}, issn = {0169-1317}, doi = {10.1016/j.clay.2021.106396}, author = {S. Chikkamath and J. Manjanna and N. Momin and B.G. Hegde and G.P. Nayaka and Aishwarya S. Kar and B.S. Tomar} } @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 {47825, title = {Native state conformational heterogeneity in the energy landscape of protein folding}, journal = {Biophysical Chemistry}, volume = {283}, year = {2022}, month = {APR}, pages = {106761}, type = {Article}, abstract = {The native structure of proteins is central to various functions performed by cells. A vital part of the structure-function paradigm of proteins is their inherent flexibility and dynamics. The dynamic interconversion between the conformational substates in the heterogeneous native state basin of the energy landscape enables a single protein molecule to perform multiple functions. The dynamics among the substates are assisted by the motion of different structural elements of a protein out of which side-chains of amino acids hold a significant position due to their involvement in various functions such as molecular recognition and dynamic allostery. This review briefly describes the origin of conformational heterogeneity in the native state ensemble and the motions of different structural modules that assist the equilibrium dynamics of the conformational substates. The review then centers the discussion on conformational heterogeneity due to side-chain movements in proteins, the experimental methods to detect and characterize them and their role in performing multiple functions.}, keywords = {Conformational heterogeneity, Dry molten globules, Energy landscape model, Native state, Side-chain packing}, issn = {0301-4622}, doi = {10.1016/j.bpc.2022.106761}, author = {Mishra, Prajna and Jha, Santosh Kumar} } @article {48343, title = {Nickel-catalyzed direct synthesis of N-substituted indoles from amino alcohols and alcohols}, journal = {Organic Letters}, volume = {24}, year = {2022}, month = {DEC}, pages = {9054-9059}, type = {Article}, abstract = {

A one-pot cascade approach for the synthesis of N substituted indoles from amino alcohols and alcohols under additive and base-free conditions with the liberation of water as the only stoichiometric byproduct is reported. The commercially available bench-stable Ni(OTf)2 salt in combination with 1,2-bis(dicyclohexylphosphino)ethane (dcype) is very effective for this unprecedented catalytic transformation. A broad range of substrates including aromatic and aliphatic primary alcohols, cyclic and acyclic secondary alcohols, and various substituted 2-aminophenyl ethyl alcohols are employed in the reaction conditions to provide a diverse range of N-alkylated indoles. Mechanistic studies revealed that the reaction proceeds through tandem N-alkylation via hydrogen autotransfer followed by the cyclization of N-alkylated alcohol intermediate.

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.2c03617}, author = {Yadav, Vinita and Jagtap, Sayali G. and Balaraman, Ekambaram and Mhaske, Santosh B.} } @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 {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 {48667, title = {Non-confined gamma monoclinic sulfur cathode in carbonate electrolyte based room temperature K-S batteries}, journal = {JOURNAL OF MATERIALS CHEMISTRY A}, volume = {11}, year = {2023}, month = {JUL}, pages = {15924-15930}, type = {Article}, abstract = {

Potassium-sulfur cells have garnered a lot of interest in grid storage chemistry due to the high abundance of both elements and hence their low cost. However, their development is hindered by the polysulfide shuttle effect and their dependency on electrolytes with limited commercial viability. The inability to use carbonate electrolytes is due to the irreversible reaction between it and PS, rendering the cell useless in the first few cycles. Here we expand our use of monoclinic \& gamma;-sulfur in carbon nanofibers (\& gamma;S-CNFs) to the potassium-sulfur, K-S, chemistry. Herein we show that using \& gamma;-S enables the cells to run for 500 cycles at \& SIM;900 mA h g(-1) in commercial carbonate electrolytes. We further attempt to understand the role of \& gamma;S-CNFs in K-S cells with electrochemical characterization and postmortem spectroscopy. As far as we are aware this is the first application of \& gamma;-S in K-S cells. Its outstanding performance should lead to new avenues for the development of this promising chemistry.

}, issn = {2050-7488}, doi = {10.1039/d3ta01751f}, author = {Pai, Rahul and Cardoza, Neal Amadeus and Natu, Varun and Barsoum, Michel W. and Kalra, Vibha} } @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 {48947, title = {Norbornenyl-pendant aromatic (co)poly(ether ether ketone)s}, journal = {Journal of macromolecular science part A- pure and applied chemistry}, volume = {60}, year = {2023}, month = {NOV }, pages = {790-800}, type = {Journal Article}, abstract = {

4, 4{\textquoteright}-(Bicyclo (2.2.1) hept-5-en-2 yl methylene) bis (2-methoxyphenol) (BPA-NB) was utilized as a step-growth monomer for the synthesis of (co)poly(ether ether ketone)s (PEEK-NBs) via nucleophilic aromatic substitution polycondensation. A homo and five PEEK-NBs were synthesized by polycondensation of 4, 4{\textquoteright}-difluorobenzophenone with BPA-NB and various compositions of BPA-NB and bisphenol-A, respectively. H-1 NMR spectroscopy confirmed the chemical structure and composition of PEEK-NBs. Inherent viscosity and number-average molecular weight values of PEEK-NBs were in the range 0.64 to 0.78 dL g(-1) and 62,670 to 84,470 g mol(-1), respectively, indicating the formation of polymers of reasonably high molecular weight. It was easy to dissolve PEEK-NBs in common organic solvents such as chloroform, dichloromethane, and tetrahydrofuran. Tough, transparent, and flexible films of PEEK-NBs could be cast from chloroform solution. X-Ray diffraction studies indicated amorphous nature of PEEK-NBs. Glass transition temperature (T-g) values, determined by DSC analysis, of PEEK-NBs were in the range 163 to190 degrees C and T-g values increased with the increase in mol \% of BPA-NB. The post-polymerization modification of a representative PEEK-NB was demonstrated using two azido compounds, namely, 4-(azidomethyl)-7-methoxy-2H-chromen-2-one and 9-(azidomethyl)anthracene, via metal-free azide-alkene 1,3-dipolar cycloaddition reaction to obtain copoly(ether ether ketone)s appended with coumarinyl and anthracenyl moieties, respectively.

}, keywords = {(Co)poly(ether ether ketone)s, azide-alkene click reaction, norbornenyl groups, post-polymerization modification}, issn = {1060-1325}, doi = {10.1080/10601325.2023.2261462}, author = {Talanikar, Aniket A. and Nagane, Samadhan S. and Wadgaonkar, Prakash P. and Rashinkar, Gajanan S.} } @article {48475, title = {Novel Biogenic Synthesis of Pd/TiO@BC as an electrocatalytic and possible energy storage materials}, journal = {Ceramics International}, volume = {49}, year = {2023}, month = {MAY}, pages = {15874-15883}, type = {Article}, abstract = {

The standard approach towards synthesizing nanomaterials exercising chemical or physical techniques generally costs more and necessitates using toxic chemicals, which negatively affect the environment. For the first time, an investigation of a basic green synthesis approach for Phyto fabrication of Pd/TiO@BC nanocomposite via biomass of rice husk (Oryza sativa L) is conducted to sustain the green chemistry for synthesis of less toxic chemicals. XRD analysis revealed that the structure of Phyto synthesized Pd/TiO@BC is crystalline, while UV, FTIR, SEM and EDX analyses marked the victorious nanocomposite biosynthesis. We have investigated the electrocatalytic and biomedical applications of the novel nanocomposite Pd/TiO@BC at different environmental conditions. Testing the potential electrochemical properties of Pd/TiO@BC to eliminate the Congo red (CR) dye from wastewater marked its high removal efficiency, which attained 90\% owing to the higher electron efficiency. Its sensitivity for CR was also examined, and acceptable degradation activity was observed. These Pd/TiO@BC proved to be beneficial in various fields, including electrochemistry, catalysis sensors, wastewater treatment, and nano-devices, and in the transformation of hazardous particles into less harmful substances. Its great potential for use as a supercapacitor is promised by its feature, including durability and compact stability. Significant guidelines could be extracted from the results, which are helpful in material size, synthesis, selection, and configuration design for various energy storage gadgets. The synthesis of high performance and economical materials through green chemistry is a novel approach towards effective energy storage and alteration procedure operation.

}, keywords = {Electro catalytic, Energy storage, Oryza sativa L biochar, Pd, PdNPs and TiONPs, TiO@BC}, issn = {0272-8842}, doi = {10.1016/j.ceramint.2023.01.182}, author = {Khasim, Syed and Dastager, Syed G. and Alahmdi, Mohammed Issa and Hamdalla, Taymour A. and Panneerselvam, Chellasamy and Makandar, Mohammad Basha} } @article {48982, title = {Novel finding: 2,4-Di-tert-butylphenol from streptomyces bacillaris ANS2 effective against mycobacterium tuberculosis and cancer cell lines}, journal = {Applied Biochemistry and Biotechnology }, volume = {195}, year = {2023}, month = {NOV}, pages = {6572-6585}, type = {Article}, abstract = {

The aim of the present study is to identify actinobacteria Streptomyces bacillaris ANS2 as the source of the potentially beneficial compound 2,4-di-tert-butylphenol, describe its chemical components, and assess its anti-tubercular (TB) and anti-cancer properties. Ethyl acetate was used in the agar surface fermentation of S. bacillaris ANS2 to produce the bioactive metabolites. Using various chromatographic and spectroscopy analyses, the potential bioactive metabolite separated and identified as 2,4-di-tert-butylphenol (2,4-DTBP). The lead compound 2,4-DTBP inhibited 78\% and 74\% of relative light unit (RLU) decrease against MDR Mycobacterium tuberculosis at 100ug/ml and 50ug/ml concentrations, respectively. The Wayne model was used to assess the latent/dormant potential in M. tuberculosis H37RV at various doses, and the MIC for the isolated molecule was found to be 100ug/ml. Furthermore, the molecular docking of 2,4-DTBP was docked using Autodock Vinasuite onto the substrate binding site of the target Mycobacterium lysine aminotransferase (LAT) and the grid box was configured for the docking run to cover the whole LAT dimer interface. At a dosage of 1 mg/ml, the anti-cancer activity of the compound 2,4-DTBP was 88\% and 89\% inhibited against the HT 29 (colon cancer) and HeLa (cervical cancer) cell lines. According to our literature survey, this present finding may be the first report on anti-TB activity of 2,4-DTBP and has the potential to become an effective natural source and the promising pharmaceutical drug in the future.

}, keywords = {2, 4-Di-tert-butylphenol, anti-cancer, Anti-tubercular, Molecular docking, Streptomyces bacillaris}, issn = {0273-2289}, doi = {10.1007/s12010-023-04403-2}, author = {Kaari, Manigundan and Joseph, Jerrine and Manikkam, Radhakrishnan and Kalyanasundaram, Revathy and Sivaraj, Anbarasu and Anbalmani, Sivarajan and Murthy, Sangeetha and Sahu, Amit Kumar and Said, Madhukar and Dastager, Syed G. and Ramasamy, Balagurunathan} } @article {48750, title = {Novel shear thickening fluids possessing high shear rates using monodispersed silica nanoparticles and PEG}, journal = {Polymer Bulletin}, volume = {80}, year = {2023}, month = {DEC}, pages = {13069-13098}, type = {Article}, abstract = {

Higher shear rate possessing homogeneous shear thickening fluids were synthesized using monodispersed silica nanoparticles and polyethylene glycol (PEG). Novel homogeneous methodology was developed for the synthesis of shear thickening fluids using monodispersed silica nanoparticles and PEG. Shear rate of shear thickening fluids (STF) was determined using rheometer at room temperature. The normal shear rate was observed in the range of 100 to 1200 s(-1), whereas higher shear rate 2000 s(-1) was obtained using monodispersed silica nanoparticles, PEG and shear rate enhancer. Monodispersed silica nanoparticles were synthesized in a typical one-pot using modified Stober{\textquoteright}s method at room temperature. Precursors were used for the synthesis of monodispersed silica nanoparticles such as tetraethyl orthosilicate (TEOS), ethanol, deionized water and ammonia as catalyst. Particle size of monodispersed silica nanoparticles was in the range of 100-1200 nm, and particle size distribution was varied from 0.000 to 0.221. Synthesis of monodispersed silica nanoparticles was studied by various parameters, namely effect of TEOS concentration, grade of ethyl alcohol, ammonia concentration and water concentration. TEOS concentration effect shows particle size and particle size distribution increases with increase in concentration of TEOS. Even though concentration of TEOS was increased up to 5 times the observation was same for all particle sizes such as 100, 300 and 500 nm. Particularly in the case of 300 nm monodispersed silica nanoparticle synthesis, as TEOS concentration was increased from 1 to 5X (5 times) the particle size was increased from 331.7, 447.8, 497.0, 512.0 and 531.7 nm and particle size distribution was 0.005, 0.000, 0.006, 0.007 and 0.089, respectively. The effect of grade of ethyl alcohol illustrates that Indian rectified spirit shows almost similar results with respect to China make ethyl alcohol. Comparative study of China and Indian rectified spirit shows silica nanoparticle size was 174.6 and 174.2 nm, and particle size distribution was 0.065 and 0.071, respectively. Ammonia concentration effect explains particle size and particle size distribution increases with increase in concentration of ammonia. Water concentration effect shows particle size and particle size distribution increases with increase in concentration of ammonia. Comparative data of water concentration effect for 1316 and 1974 mL shows particle size were 321.7 and 488.0 nm, and particle size distribution was 0.083 and 0.05, respectively, under similar conditions. Morphological studies displayed the shape of the silica nanoparticles was spherical, monodispersed and isolated. A typical TEM image of monodispersed silica nanoparticles for 500 nm was observed with extremely low polydispersity, i.e., 0.000. It is very difficult to get such a type of excellent photograph of monodispersity by Stober{\textquoteright}s method particularly on large scale. Rheology study of homogeneous shear thickening fluids studied by varying the parameters such as composition of silica nanoparticles with PEG, effect of amount of solvent, effect of refluxing time, effect of additive with respect to the mol. wt. of PEG and effect of additive such as Tannin. All these parameters of STF explored with respect to the shear rate and shear viscosity. Effect of ethanol amount on STF demonstrates the shear rate increases with increase in amount of solvent. Effect of refluxing time on STF exhibits the shear rate increases with increase in refluxing time. Effect of composition based on 500 nm monodispersed silica nanoparticles and PEG 200 with respect to 60:40, 65:35 and 70:30 composition was studied and the results predict that shear rate increases with increase in silica percentage in composition, i.e., 118, 265 and 1200 s(-1) for 60:40, 65:35 and 70:30 composition, respectively, whereas maximum viscosity decreases with increase in silica content, i.e., 2.559, 1.420 and 1.200 Pa.s for 60:40, 65:35 and 70:30 composition, respectively. Effect of additive on shear rate and shear viscosity illustrates that shear rate decreases with increase in additive percentage in composition, whereas maximum viscosity increases with increase in additive content. Effect of additives on shear rate and shear viscosity was performed using 65:35 composition with respect to PEG 200 along with PEG 6000 shows shear rate was decreased from 142 to 6.42 s(-1) and maximum viscosity was increased from 56.1 to 571.0 Pa.s when the quantity of PEG 6000 was doubled. In general, additive decreases shear rate and increases shear viscosity (maximum). But effect of Tannin as an additive on 500 nm monodispersed silica nanoparticles with PEG 200 using 70:30 composition showed enormous increase in shear rate, i.e., 2000 s(-1). This is anomalous behavior of additive was observed.

}, keywords = {Monodispersed silica nanoparticles, Nanocomposite, Polyethylene glycol, Shear rate, Shear thickening fluid}, issn = {0170-0839}, doi = {10.1007/s00289-023-04696-7}, author = {Chavan, Nayaku and Dhage, Atul and Wale, Apparav and Thorave, Asmita and Rajdeo, Kishor and Kamble, Sanjay and Ponrathnam, Surendra and Tambe, Sanjeev and Verma, Sanjeevkumar} } @article {49051, title = {Nanocrystalline (NixCo(1-x))3(PO4)2@FeSe2/NF as a promising OER electrocatalyst for alkaline water electrolysis}, journal = {International Journal of Hydrogen Energy}, volume = {59}, year = {2024}, month = {MAR}, pages = {74-81}, type = {Article}, abstract = {

Affordable and sustainable hydrogen production is the need of the hour owing to the mounting global pursuit for the hydrogen economy. Water splitting is the premier go -to method to produce green hydrogen at a larger scale in which the half -cell Oxygen Evolution Reaction (OER) demands a larger amount of energy expenditure due to its sluggish kinetics. Hence, designing an efficient OER electrocatalyst, especially for alkaline water electrolysis that offers alternatives to the usage of precious group metals is a pressing priority. Herein, we report a novel nanocrystalline electrocatalyst consisting of two components, namely cobalt nickel phosphate and iron diselenide synthesised via a two-step electrodeposition at room temperature. The combination of the two components on the porous nickel foam substrate exhibits an overpotential of 272 mV at 100 mA/cm2 in 1 M KOH showing a low Tafel slope of a mere 38 mV/dec with appreciable retention even after 24 h of stability test at a relatively higher current density. The surface reconstruction that occurs when FeSe2 is electrodeposited on (Ni0.35Co0.65)3(PO4)2@NF and the synergy between the two components is the primary reason for the improved performance. Thus, this work highlights the ambient synthesis of a highly durable earth -abundant metal -based electrocatalyst which exceeds the performance of the standard Ru/C by a decent margin.

}, keywords = {Alkaline Water Electrolysis, Ambient synthesis, Electrodeposition, Non-PGM based Electrocatalyst, OER}, issn = {0360-3199}, doi = {10.1016/j.ijhydene.2024.01.264}, author = {Christi, Darren Sebastian and Selvaraj, Kaliaperumal} } @article {49236, title = {Nanotrap infused ultrathin hybrid composite material for rapid and highly selective entrapment of 99TcO4-}, journal = {CHEMICAL SCIENCE}, volume = {15}, year = {2024}, month = {NOV}, pages = {18463-18475}, type = {Journal Article}, keywords = {Adsorption, CAPTURE, EFFICIENT, Metal-organic framework, Removal, TECHNETIUM}, issn = {2041-6520}, doi = {10.1039/d4sc04010d}, author = {Mandal, Writakshi and Fajal, Sahel and Majumder, Dipanjan and Sengupta, Arijit and Let, Sumanta and Urkude, Rajashri R. and Shirolkar, Mandar M. and Torris, Arun and Ghosh, Sujit K.} } @article {49354, title = {Network motifs exhibiting a differential response to spaced and massed inputs}, journal = {Learning \& Memory}, volume = {31}, year = {2024}, month = {JUL}, pages = {a054012}, type = {Article}, abstract = {

One characteristic of long-term memory is the existence of an inverted U-shaped response to increasing intervals between training sessions, and consequently, an optimal spacing that maximizes memory formation. Current models of this spacing effect focus on specific molecular components and their interactions. Here, we computationally study the underlying network architecture, in particular, the potential of motif dynamics in qualitatively capturing the spacing effect in a manner that is independent of the animal model, biomolecular components, and the timescales involved. We define a common training and test protocol, and computationally identify network topologies that can qualitatively replicate the experimentally observed characteristics of the spacing effect. For 41 motifs derived from fundamental network architectures such as autoregulation, feedback, and feedforward motifs, we tested their capacity to manifest the spacing effect in terms of an inverted U-shaped response curve, using different combinations of stimulation protocols, response metrics, and kinetic parameters. Our findings indicate that positive feedback motifs where the stimulus enhances conversion reaction in the loop replicate the spacing effect across all response metrics, while feedforward motifs exhibit a metric-specific spacing effect. For some parameter combinations, linear cascades of activation and conversion reactions were found sufficient to qualitatively exhibit spacing effect characteristics.

}, issn = {1072-0502}, doi = {10.1101/lm.054012.124}, author = {Sreejan, Ashley and Saxena, Priyanka and Gadgil, Chetan J.} } @article {49383, title = {New binary adducts of panobinostat with different carboxylic acid based NSAIDs: structural analysis and physicochemical properties investigation}, journal = {ChemistrySelect}, volume = {9}, year = {2024}, month = {NOV}, pages = {e202403539}, type = {Article}, abstract = {

Adoption of multitarget, cost-effective fixed-dose medication combinations can help lower the pill load without increasing the risk of adverse events. In this study, three new 1:1 drug-drug binary solid forms of panobinostat (PNB) and nonsteroidal anti-inflammatory drugs (NSAIDs) were effectively synthesized by liquid-assisted grinding and slow evaporation crystallization techniques. The obtained solid forms were extensively characterized by various analytical techniques. The structural investigation revealed that all molecular adducts formed salt with a comparable R42\${\textbackslashmathrm{R}}_4\<\^\>2\$(10) graph set pattern created by heteromeric interactions formed between PNB and corresponding salt formers. To determine the dissolving behavior of the newly developed adducts, solubility tests were performed at various pH levels (pH 1.2 and pH 7), and the results indicated that the solubility of all forms is increased at pH 7.0, particularly PNB.NIF has a solubility of 0.195 mg/mL, which is seven times higher than the parent drug. Furthermore, PXRD was used to assess the stability of the synthesized adduct at varied temperature and humidity levels and it was found that all the adducts are stable. Based on the findings, we hope that the newly found PNB drug-drug binary adducts have possible potential to broaden the use of drug combinations without changing the chemical structures.

}, keywords = {Drug-drug salts, Heteromeric interactions, Hydrogen bond, Non-steroidal anti-inflammatory drugs, Panobinostat}, issn = {2365-6549}, doi = {10.1002/slct.202403539}, author = {Kenguva, Gowtham and Rout, Smruti Rekha and Kar, Ananya and Giri, Lopamudra and Shaikh, Tabrez R. and Jadab, Madhusmita and Pal, Satyanarayan and Dandela, Rambabu} } @article {49313, title = {New insights into the composition and catalytic performance of VOx-Ga/γ-Al2O3 for the oxidative dehydrogenation of propane to propene}, journal = {New Journal of Chemistry}, volume = {48}, year = {2024}, month = {AUG }, pages = {15077-15087}, type = {Article}, abstract = {

Oxidative dehydrogenation (ODH) of propane is a promising alternative route for propene production. In this work, we developed a series of vanadium and gallium oxides supported on gamma-Al2O3 catalysts by an incipient wetness impregnation method. Among the employed catalysts, the VGA-2 showed superior catalytic activity, and the catalyst was demonstrated for longevity in ODH of propane with a stable activity using a continuous flow fixed bed reactor at 400 degrees C. H-2-TPR and UV-visible spectra showed the presence of highly dispersed monomeric VOx species with tetrahedral coordination geometry, which influences product selectivity. The characterization results also conferred that the redox nature of vanadium (V5+ and V4+) oxide and higher V5+ content on the surface of the VGA-2 catalysts are more favourable for C-H activation. In addition, the pyridine-FTIR and Ga-71 solid-state NMR studies further substantiated the presence of Lewis acid sites and tetrahedrally coordinated Ga3+Ox species that are highly responsible for the ODHP activity, respectively. Furthermore, in situ-DRIFTS studies conferred that the propane adsorption at ambient temperature showed the formation of intermediate propoxide species with the evolution of sigma-bonds and with further increase in the temperature to 325 degrees C; the stretching vibrations of the =C-H and -C-H bonds in the propylene molecule were observed. The spent catalysts were also analyzed by thermogravimetric analysis, where the optimized catalyst (VGA-2) showed the least coke deposition.

}, issn = {1144-0546}, doi = {10.1039/d3nj05109a}, author = {Kandasamy, Prabu and Gawali, Sheetal and Venugopalan, Aswathy Thareparambil and Manikandan, Marimuthu and Mekala, Siva Prasad and Shelke, Ankita and Ajithkumar, Thalasseril G. and Bhatte, Kushal and Raja, Thirumalaiswamy} } @article {49091, title = {New record of larval-pupal endoparasitoid Exorista deligata parasitising Indian Tea looper Hyposidra talaca from India}, journal = {Phytoparasitica}, volume = {52}, year = {2024}, month = {MAR}, pages = {23}, type = {Article}, abstract = {

This is the first record of Exorista deligata (Pandell \& eacute;, 1896) (Diptera: Tachinidae) as a parasitoid of Hyposidra talaca (Walker, 1860) (Lepidoptera: Geometridae) from India. H. talaca is a major and new emerging defoliator of the Tea plant Camellia sinensis (L) Kuntze (Theaceae). It completes multiple generations per year without diapause on C. sinensis, resulting in heavy crop loss. The field-collected larvae/pupa of H. talaca were checked for parasitoid infestations and reared until either the host or parasitoid emerged. The parasitoid was identified as E. deligata with morphological characteristics and confirmed by the mitochondrial cytochrome oxidase subunit-I (COX-CO1) gene sequencing technique. The parasitoid is infrequent with unexplored parasitic biology. It parasitises the larva and completes its lifecycle inside the developing H. talaca by entirely devouring the host. The mean percent parasitisation caused by E. deligata studied herein was 25.4\% (range 5.88\%-57.69\%). Based on its parasitisation ability, we suggest the species could be a potential biological control agent to address the damage mitigation caused by the tea looper pest, H. talaca.

}, keywords = {Biocontrol, Exorista deligata, Hyposidra talaca, Invasive pest, Parasitisation}, issn = {0334-2123}, doi = {10.1007/s12600-024-01121-1}, author = {Sharma, Pooja V. and Das, Tamal and Mukherjee, Susmita and Pathan, Ejaj K. and Rahman, Azizur and Gathalkar, Ganesh B.} } @article {49298, title = {Nickel-catalyzed branch-selective C-H alkylation of indoles and azoles with alkenes: an additive- and solvent-free approach}, journal = {European Journal of Organic Chemistry}, volume = {27}, year = {2024}, month = {JUL }, type = {Article}, abstract = {

The development of sustainable protocols for the synthesis of alkylated heteroarenes is crucial owing to their widespread existence in medicinally relevant and bioactive natural products. Herein, we describe an efficient, additive- and solvent-free approach for the regioselective C-H alkylation of indoles and azoles with alkenes using a nickel catalyst, which proceeds through a chelation-assistance strategy. The reaction exclusively provided branched alkylated products with the compatibility of alkyl, alkoxy, fluoro, trifluoromethyl, alkene, cyano, ester, and carbonyl groups. This protocol is applicable to other heteroarenes, such as imidazoles and benzimidazoles, providing the desired alkylated products with exclusive Markovnikov selectivity. The synthetic utility and scale-up of the reaction are demonstrated, and the protocol is in concord with the principles of green chemistry. Alkylation proceeds through facile and reversible C-H nickelation and alkene insertion processes, presumably involving rate-limiting reductive elimination. A straightforward nickel-catalyzed protocol for the C-H alkylation of indoles and azoles is disclosed that proceeds under additive- and solvent-free conditions. The reaction utilizes readily available alkenes as alkylating partners and delivers Markovnikov products with tolerance of sensitive functionalities. image

}, keywords = {Alkylation, branch selectivity, indoles, Nickel, solvent-free synthesis}, issn = {1434-193X}, doi = {10.1002/ejoc.202400376}, author = {Ankade, Shidheshwar B. and Banerjee, Shuvajit and Punji, Benudhar} } @article {49023, title = {Nickel-catalyzed chemodivergent coupling of alcohols: efficient routes to access α,α-disubstituted ketones and α-substituted chalcones}, journal = {Chemistry- a european journal}, volume = {30}, year = {2024}, month = {MAR}, type = {Article}, abstract = {

Chemodivergent (de)hydrogenative coupling of primary and secondary alcohols is achieved utilizing an inexpensive nickel catalyst, (6-OH-bpy)NiCl2. This protocol demonstrates the synthesis of branched carbonyl compounds, alpha,alpha-disubstituted ketones, and alpha-substituted chalcones via borrowing hydrogen strategy and acceptorless dehydrogenative coupling, respectively. A wide range of aryl-based secondary alcohols are coupled with various primary alcohols in this tandem dehydrogenation/hydrogenation reaction. The nickel catalyst, along with KOtBu or K2CO3, governed the selectivity for the formation of branched saturated ketones or chalcones. A preliminary mechanistic investigation confirms the reversible dehydrogenation of alcohols to carbonyls via metal-ligand cooperation (MLC) and the involvement of radical intermediates during the reaction. The chemodivergent nickel-catalyzed approach provides alpha,alpha-disubstituted ketones from aryl-substituted secondary alcohols and benzyl alcohols via the borrowing hydrogen (BH) strategy in the presence of KOtBu, whereas exclusively alpha-substituted chalcones were accomplished in the presence of mild base K2CO3 through an acceptorless dehydrogenative coupling (ADC) strategy. image

}, keywords = {Alcohols, dehydrogenative coupling, Metal-ligand cooperation, Nickel, substituted carbonyl compounds}, issn = {0947-6539}, doi = {10.1002/chem.202304082}, author = {Bansal, Sadhna and Punji, Benudhar} } @article {49009, title = {Nickel-catalyzed tandem conversion of paraformaldehyde : methanol to hydrogen and formate/chemo- and stereoselective hydrogenation of alkynes under neutral conditions}, journal = {Catalysis Science and Technology }, volume = {14}, year = {2024}, month = {MAY}, pages = {2779-2793}, type = {Article}, abstract = {

The development of new catalytic protocols for clean and COx-free hydrogen generation from fundamental feedstocks is always interesting and challenging. Herein, we disclose nickel-catalyzed dihydrogen generation from a mixture of paraformaldehyde-methanol under base-free and activator-free conditions. The dihydrogen generation from this redox combination under neutral, oxidative coupling conditions has been integrated with the hydrogen transfer reactions such as chemo- and stereoselective hydrogenation of alkynes in a tandem manner. This unprecedented strategy provides diverse highly stereoselective olefins with excellent tolerance of reducible functional groups such as ether, silyl ether, aldehyde, keto, ester, nitrile, halides including bromo and iodo groups, and heteroarenes. Additionally, we demonstrated catalytic stereo-interconversion of alkenes under benign conditions. The affordable gram-scale synthesis of some important pharmaceutical bioactive molecules has further enhanced their synthetic value. A tandem dihydrogen generation from a mixture of paraformaldehyde-methanol under base-free conditions followed by semihydrogenation of alkynes is reported.

}, issn = {2044-4753}, doi = {10.1039/d3cy01699d}, author = {Subaramanian, Murugan and Padhy, Subarna Sukanya and Gouda, Chandrakanth and Das, Tamal and Vanka, Kumar and Balaraman, Ekambaram} } @article {49088, title = {Nonedible thevetia peruviana oil for the synthesis of biobased thermosets and vitrimers with tunable mechanical properties}, journal = {ACS Applied Polymer Materials }, volume = {6}, year = {2024}, month = {FEB }, pages = {2695-2708}, type = {Article}, abstract = {

Current attempts to replace fossil-derived materials with vegetable oils for polymer production mainly rely on edible oils. This approach raises sustainability concerns due to potential food security risks. This report introduces the first in-depth examination of Thevetia peruviana oil (TPO) epoxidation, an easily accessible nonedible vegetable oil, utilizing diverse acidic ion-exchange resins as catalysts. It is followed by the development of vitrimers based on epoxidized oil (ETPO) with various dicarboxylic acid hardeners. Amberlite IRC120H emerged as the most effective catalyst for the epoxidation of the oil, allowing for repeated catalyst reusability for up to five cycles. An impressive relative oxirane conversion of 98.9\% was achieved after optimization. DSC analysis revealed that among the diacids, 2,2{\textquoteright}-dithiodibenzoic acid (DTBZ) has the lowest activation energy with ETPO. Additionally, the ETPO-DTBZ-based thermosets displayed exceptional solvent resistance and thermal stability, indicative of a high degree of cross-linked networks within the system. Mechanical analyses revealed that all aliphatic hardeners resulted in soft materials, while DTBZ resulted in thermosets with tensile stress and modulus of 15 and 843 MPa, respectively. Consequently, DTBZ-ETPO thermosets were successfully recycled, repaired, and reshaped with minimal changes in the mechanical properties. The shape memory of the thermosets was also established.

}, keywords = {biobasedvitrimers, environmental sustainability, epoxidizedThevetial peruviana oil, nonedible oil, Optimization, shape memory}, issn = {2637-6105}, doi = {10.1021/acsapm.3c02923}, author = {Olosho, Adebayo Isaac and Alam, Md Shafi and Sukumaran Nair, Kiran and Ambade, Ashootosh V. and Adekola, Folahan Amoo} } @article {49243, title = {Normal and diabetic foot sole skin mimicking tissue phantom fulfillment for spectroscopic-based DFU diagnostics perspective}, journal = {AIP ADVANCES}, volume = {14}, year = {2024}, month = {JUN }, type = {Journal Article}, keywords = {OPTICAL-PROPERTIES, STATE}, doi = {10.1063/5.0206988}, author = {Kumar, Ajay and Hattale, Gangadhar and Hinge, Sarika and Kulkarni, Gauri and Late, Dattatray J. and Kanawade, Rajesh} } @article {49260, title = {Novel GO hoisted SnO2-BiOBr bifunctional catalyst for the remediation of organic dyes under illumination by visible light and electrocatalytic water splitting}, journal = {NANOSCALE}, volume = {16}, year = {2024}, month = {JUL }, pages = {12445-12458}, type = {Journal Article}, keywords = {Chemistry, Multidisciplinary, Nanoscience \& Nanotechnology}, issn = {2040-3364}, doi = {10.1039/d4nr01154f}, author = {Dhillon, Manshu and Naskar, Abhishek and Kaushal, Neha and Bhansali, Shekhar and Saha, Avishek and Basu, Aviru Kumar} } @article {48932, title = {Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility}, journal = {Crystengcomm}, volume = {26}, year = {2024}, month = {JAN }, pages = {248-260}, type = {Journal Article}, abstract = {

The solubility, permeability, and dissolution rate of an active pharmaceutical ingredient (API) are critical factors in determining its pharmacokinetic performance in oral dosage forms. Modifying these properties can potentially enhance the drug{\textquoteright}s pharmacokinetics. Vandetanib (VDTB), classified as a class II anti-cancer drug in the biopharmaceutical classification system (BCS), suffers from low solubility (0.008 mg mL-1) and an extended pharmacokinetic half-life (19 days), necessitating the administration of high doses, which leads to undesirable side effects. To address this issue, we have employed a crystal engineering approach to enhance the solubility of VDTB. We employed the liquid-assisted grinding (LAG) method followed by the slow evaporation technique to prepare novel solid forms of VDTB by incorporating various aliphatic dicarboxylic acids, including succinic acid (SUA), adipic acid (ADA), pimelic acid (PIA), azelaic acid (AZA), and sebacic acid (SBA). These newly obtained solid forms were characterized by SC-XRD, PXRD, TGA, and DSC experiments. The crystal structure analyses revealed a proton transfer between the carboxylic acid group of aliphatic acids and the N-methyl piperidine moiety of VDTB, confirming salt/adduct formation. Additionally, all of the molecular salts were stabilized by charge-assisted N+-HMIDLINE HORIZONTAL ELLIPSISO- hydrogen bonds, while the parent VDTB crystal structure is stabilised by N-HMIDLINE HORIZONTAL ELLIPSISN interactions. Moreover, the solubility and dissolution rate of these new solid forms were assessed in a pH 7.4 phosphate buffer medium, with the results indicating that all of the solid forms, except for VDTB:SBA, exhibited higher solubility compared to pure VDTB. These findings offer promising prospects for the development of an improved VDTB formulation with enhanced pharmacokinetic properties. Successful attempt to improve the solubility and dissolution rate of Vandetanib - an anti-cancer drug, by crystal engineering approach.

}, keywords = {Amorfization, hydrate, Parameters, Salt, Thyroid-Cancer}, doi = {10.1039/d3ce01130e}, author = {Bandaru, Ravi Kumar and Giri, Lopamudra and Krishna, Gamidi Rama and Dandela, Rambabu} } @article {48933, title = {Novel sulfonic acid functionalized silica supported isonicotinic acid catalyst for conversion of 2-methylfuran to diesel fuel precursors}, journal = {Catalysis Letters}, volume = {154}, year = {2024}, month = {APR}, pages = {1511-1520}, type = {Article}, abstract = {

Polyfuranic compounds produced after carbon up-gradation of 2-methylfuran by acid catalyzed C-C bond forming reactions when undergo hydro-deoxygenation produce diesel fuel. Herein, we prepared a simple and novel silica supported sulfonic acid functionalized isonicotinic acid SO3H-INA@SiO2 catalyst by treating isonicotinic acid with chlorosulphonic acid followed by heterogenization on silica. This heterogeneous solid acid catalyst was explored for the solvent free conversion of 2-methylfuran to diesel fuel precursors of C-15 and C-20 units via tandem ring opening followed by condensation sequence. Under optimized reaction conditions, SO3H-INA@SiO2 was able to convert, 2-methylfuran completely into condensation products such as 5,5-bis(5-methylfuran-2-yl)pentan-2-one (1) and 2,4,4-tris(5-methylfuran-2-yl)pentan-1-ol (2) with 19\% and 67\% yields, respectively. The heterogeneous SO3H-INA@SiO2 catalyst was successfully recycled up to six consecutive runs without loss of its activity. The SO3H-INA@SiO2 catalyst offered superior activity as compared to the commercially available -SO3H functionalized resins. Superior activity of the prepared catalyst could be attributed for its higher acidity, smaller particle size and high surface area. Structure of the prepared catalyst was confirmed by FTIR and solid state NMR. Total acidity of the prepared catalyst was determined by acid-base titration.

}, keywords = {2-Methylfuran, Diesel fuel, heterogeneous catalyst, Ionic solid, solid acid}, issn = {1011-372X}, doi = {10.1007/s10562-023-04383-2}, author = {Tarade, Komal P. and Kamble, Sanjay P. and Rode, Chandrashekhar V.} } @article {49097, title = {N-SO3H functionalised br{\o}nsted acidic ionic liquid catalysed sequential one-pot synthesis of 2-amino-3-cyanopyridines via claisen-schmidt condensation under solvent-free condition}, journal = {Chemistryselect}, volume = {9}, year = {2024}, month = {MAR }, type = {Article}, abstract = {

This work presents a simple approach for the synthesis of 2-amino-3-cyanopyridines via a one pot two-step sequential route catalysed by direct N{\textendash}SO3H functionalised Br \& oslash;nsted acidic ionic liquids (BAILs). Herein, catalytic activities of four BAILs namely ([TSPi][Cl](2), [DSIM][TFA], [EDSIM][TFA] and [DBDSA][TFA]) were explored and among them [TSPi][Cl](2) was found to be the most efficient reusable homogeneous catalyst. This process involves the ionic liquid catalysed in situ generation of chalcones from Claisen-Schmidt condensation between aromatic aldehydes and acetophenone/4-Cl acetophenone, followed by multicomponent reaction (MCR) with malononitrile and ammonium acetate using the same IL catalyst to selectively produce 2-amino-3-cyanopyridine derivatives in a solvent-free medium at 80 degrees C within 30-60 minutes in high yields (96-86 \%). This amalgamation of MCR with ionic liquids and solvent-free conditions makes the present work more compliant with the protocols of Green Chemistry.

}, keywords = {2-amino-3-cyanopyridines, Bronsted acidic ionic liquids, chalcones, Multicomponent reaction, One-pot approach}, issn = {2365-6549}, doi = {10.1002/slct.202304103}, author = {Das, Sukanya and Paul, Subham and Kashyap, Niharika and Saikia, Pinku and Borah, Ruli} } @article {49237, title = {N-terminal domain of polypyrimidine-tract binding protein is a dynamic folding platform for adaptive RNA recognition}, journal = {NUCLEIC ACIDS RESEARCH}, volume = {52}, year = {2024}, month = {AUG}, pages = {10683-10704}, type = {Journal Article}, keywords = {CHEMICAL-SHIFT ANISOTROPY, NMR, ROTATING-FRAME RELAXATION, TIME-SCALE DYNAMICS}, issn = {0305-1048}, doi = {10.1093/nar/gkae713}, author = {Damberger, Fred F. and Krepl, Miroslav and Arora, Rajika and Beusch, Irene and Maris, Christophe and Dorn, Georg and Sponer, Jiri and Ravindranathan, Sapna and Allain, Frederic H-T} } @article {49580, title = {Nanocellulose-doped superabsorbent polymer for improved absorption properties in sanitary pad applications}, journal = {International Journal of Biological Macromolecules}, volume = {307}, year = {2025}, month = {MAY}, pages = {141953}, type = {Article}, abstract = {

An important disposable hygienic absorbent is the female sanitary napkin wherein superabsorbent polymers (SAP) are incorporated into it to increase the absorption capacity. Nevertheless, it has been discovered that SAPs have negative consequences on the environment and the user{\textquoteright}s health. The present study explores doping nanocellulose, into an acrylic acid-based SAP matrix to enhance absorption performance, leveraging nanocellulose{\textquoteright}s high surface area and hydrophilicity. Different SAP-nanocellulose compositions were tested, and characterizations like Thermogravimetric Analysis (TGA), Fourier Transform Infrared (FT-IR), Scanning Electron Microscopy (SEM), and X-ray Diffraction (XRD) confirmed the successful incorporation of nanocellulose into the SAP structure. Performance tests showed enhanced absorption properties in SAPs doped with nanocellulose compared to unmodified SAPs. The 70-30 composition significantly outperformed unmodified SAP (100-0). Free absorbency was highest for unmodified SAP, while 70-30 almost equaled in equilibrium absorbency in distilled water, but excelled in saline, simulated, and animal blood. Schott{\textquoteright}s pseudo-second-order model and Fickian diffusion were used to identify the kinetic swelling of SAP. For absorption under load, 70-30 attained 28.7 g/g in saline, a 28.91 \% increase over unmodified SAP. In CRC, 70-30 exceeded unmodified SAP by 37 \% in saline and 53 \% in simulated blood demonstrating enhanced stability and absorbency.

}, keywords = {Absorption properties, Animal blood, Doping, Nanocellulose, Sanitary pads, Superabsorbent polymer}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2025.141953}, author = {Mandava, Srimukhi and Nagar, Harsha and Kumar, D. B. Rohini and Aniya, Vineet} } @article {49428, title = {Nano-springe enriched hierarchical porous MOP/COF hybrid aerogel: efficient recovery of gold from electronic waste}, journal = {Angewandte Chemie-International Edition}, volume = {64}, year = {2025}, month = {FEB}, type = {Article}, abstract = {

Extraction of gold from secondary resources such as electronic waste (e-waste) has become crucial in recent times to compensate for the gradual scarcity of the noble metal in natural mines. However, designing and synthesizing a suitable material for highly efficient gold recovery is still a great challenge. Herein, we have strategically designed rapid fabrication of an ionic crystalline hybrid aerogel by covalent threading of an amino-functionalized metal-organic polyhedra with an imine-linked chemically stable covalent organic framework at ambient condition. The hierarchically porous ultra-light aerogel featuring imine-rich backbone, high surface area, and cationic sites have shown fast removal, high uptake capacity (2349 mg/g), and excellent selectivity towards gold sequestration. Besides, the aerogel can extract ultra-trace gold-ions from different terrestrial water bodies, aiming towards safe drinking water. This study demonstrates the great potential of the composite materials based on a novel approach to designing a hybrid porous material for efficient gold recovery from complex water matrices.

}, keywords = {Aerogel, COF, E-waste, Gold, MOP}, issn = {1433-7851}, doi = {10.1002/anie.202419830}, author = {Majumder, Dipanjan and Fajal, Sahel and Shirolkar, Mandar M. and Torris, Arun and Banyla, Yashasvi and Biswas, Kishalay and Rasaily, Sagarmani and Ghosh, Sujit K.} } @article {49588, title = {Navigating the challenges of engineering composite specialized metabolite pathways in plants}, journal = {Plant Journal}, volume = {121}, year = {2025}, month = {MAR}, pages = {e70100}, type = {Review}, abstract = {

Plants are a valuable source of diverse specialized metabolites with numerous applications. However, these compounds are often produced in limited quantities, particularly under unfavorable ecological conditions. To achieve sufficient levels of target metabolites, alternative strategies such as pathway engineering in heterologous systems like microbes (e.g., bacteria and fungi) or cell-free systems can be employed. Another approach is plant engineering, which aims to either enhance the native production in the original plant or reconstruct the target pathway in a model plant system. Although increasing metabolite production in the native plant is a promising strategy, these source plants are often exotic and pose significant challenges for genetic manipulation. Effective pathway engineering requires comprehensive prior knowledge of the genes and enzymes involved, as well as the precursor, intermediate, branching, and final metabolites. Thus, a thorough elucidation of the biosynthetic pathway is closely linked to successful metabolic engineering in host or model systems. In this review, we highlight recent advances in strategies for biosynthetic pathway elucidation and metabolic engineering. We focus on efforts to engineer complex, multi-step pathways that require the expression of at least eight genes for transient and three genes for stable transformation. Reports on the engineering of complex pathways in stably transformed plants remain relatively scarce. We discuss the major hurdles in pathway elucidation and strategies for overcoming them, followed by an overview of achievements, challenges, and solutions in pathway reconstitution through metabolic engineering. Recent advances including computer-based predictions offer valuable platforms for the sustainable production of specialized metabolites in plants.

}, keywords = {Biosynthetic pathway, Enzyme activity, Gene expression, Metabolic engineering, Metabolites}, issn = {0960-7412}, doi = {10.1111/tpj.70100}, author = {Gharat, Sachin A. and Tamhane, Vaijayanti A. and Giri, Ashok P. and Aharoni, Asaph} } @article {49684, title = {NHC-catalyzed allylation of aldehydes with MBH carbonates and their michael addition-elimination-cope rearrangement cascade: a route to rac-sacubitril}, journal = {Organic Letters}, volume = {27}, year = {2025}, month = {MAY}, pages = {5911-5916}, type = {Article}, abstract = {

We report herein a novel NHC-catalyzed transition-metal-free chemoselective allylation of aldehydes with Morita-Baylis-Hillman (MBH) carbonates using an inorganic base. Fascinatingly, the use of an organic base follows a different mechanism, leading to highly functionalized 1,5-dienes via a Michael addition-elimination reaction followed by [3,3]-sigmatropic Cope rearrangement. The described method harnesses a new Csp2-Csp3 bond to access alpha-methylene-gamma-oxo-gamma-substituted ester derivatives paving a way to facile synthesis of potent natural products and active pharmaceutical ingredients (APIs). A broad range of aromatic and aliphatic aldehydes with MBH carbonates was employed to provide a variety of interesting butanoate and dienyl ketone scaffolds in good to excellent yields. This chemistry has been extended to the efficient syntheses of rac-sacubitril API and gamma-butyrolactone scaffold, which is a privileged core present in many natural products and APIs

}, issn = {1523-7060}, doi = {10.1021/acs.orglett.5c01820}, author = {Kale, Tushar B. and Jagtap, Sayali G. and Mhaske, Santosh B.} } @article {49677, title = {Nickel-catalyzed regioselective C--H alkynylation of pyridones and isoquinolinones using alkynyl bromides}, journal = {ChemCatChem}, volume = {17}, year = {2025}, month = {JUN}, type = {Article}, abstract = {

A straightforward and efficient protocol for the regioselective C \& horbar;H alkynylation of 2-pyridones and isoquinolinones with bromoalkynes under nickel catalysis is described. The alkynylation reaction is enabled by a simple and inexpensive Ni(OTf)2/tBubpy catalyst system and uses easily accessible bromoalkynes. The protocol demonstrates a broad substrate scope with up to 95\% yield (42 examples) and accommodates synthetically valuable functionalities, such as halides, trifluoromethyl, nitrile, ether, thioether, alkyl silanes, and alkene, as well as heteroarene moieties like pyridinyl, furanyl, and thiophenyl. The pyridinyl directing group on alkynylated 2-pyridones can be smoothly removed to give C6-alkynylated free NH-pyridone. Preliminary mechanistic studies suggest that the alkynylation proceeds via a 2e- oxidative addition pathway involving crucial C \& horbar;H activation.

}, keywords = {alkynylation, C \& horbar, H Activation, Mechanism, Nickel, pyridones}, issn = {1867-3880}, doi = {10.1002/cctc.202500338}, author = {Verma, Suryadev K. and Patil, Harshal R. and Punji, Benudhar} } @article {49598, title = {NiFeMo layered triple hydroxide and MXene heterostructure for boosted oxygen evolution reaction in anion exchange membrane water electrolysis}, journal = {Nanoscale}, volume = {17}, year = {2025}, month = {MAY}, pages = {12094-12107}, type = {Article}, abstract = {

Efficient, low cost and stable electrocatalysts are highly desirable for overcoming the sluggish kinetics of the oxygen evolution reaction (OER) in alkaline water electrolysis for hydrogen production. Interfacial engineering of heterostructures is quite beneficial for improving charge transfer efficiency at the interface. In this context, heterostructures of layered triple hydroxides (LTHs) and MXenes have shown great potential as OER electrocatalysts owing to their 2D-2D structure and unique physiochemical properties. Coupling LTHs with MXenes can potentially enhance their conductivity and stability, thereby boosting OER activity. In this study, we report a heterointerface between NiFeMo-LTH on Ti3C2Tx MXene, which exhibited superior catalytic activity and stability in alkaline freshwater and seawater, reducing the activation energy. Importantly, the heterostructure achieved a current density of 100 mA cm-2 at the cost of 292 mV and 340 mV overpotentials in alkaline saline water and real seawater, respectively, and showed robustness over 100 h without hypochlorite formation in alkaline real seawater, exhibiting corrosion-resistant behaviour. Moreover, NiFeMo-LTH/MXene explored in alkaline anion exchange membrane water electrolyzer (AEMWE) achieved a current density of 750 mA cm-2 at 2.16 V cell voltage at an operating temperature of 60 degrees C with an energy efficiency of 60.5\%. Raman analysis and XPS analysis post stability test demonstrated easy electron transfer from LTH to MXene at the heterointerface, leading to the formation of NiOOH electroactive species that facilitated the OER activity.

}, issn = {2040-3364}, doi = {10.1039/d5nr00419e}, author = {Pal, Santanu and Chaturvedi, Ekta and Das, Chandni and Sinha, Nibedita and Ahmed, Tanbir and Roy, Poulomi} } @article {49511, title = {Novel bifunctional inhibitor of protease and α-amylase from Clitorea ternatea restricts the growth and development in Spodoptera frugiperda}, journal = {International Journal of Biological Macromolecules}, volume = {305}, year = {2025}, month = {MAY}, pages = {141180}, type = {Article}, abstract = {

An inhibitor molecule capable of inhibiting a wide range of digestive enzymes without affecting endogenous enzymes is always desirable. We report characterization of CteTAI (M.W. 14 kDa), a bifunctional inhibitor (BFI) protein from the seeds of Clitoria ternatea capable of inhibiting trypsin and alpha-amylase. It retains trypsin inhibition activity up to 60 degrees C and alpha-amylase inhibition up to 40 degrees C. Trypsin inhibition is stable across pH 1-12, while alpha-amylase inhibition is stable between pH 3-7. CteTAI is a noncompetitive inhibitor of trypsin and an uncompetitive inhibitor of alpha-amylase. It selectively inhibits proteases and alpha-amylases from various sources, without affecting alpha-amylase from human saliva and Bacillus spp. Proteomic analysis identified CteTAI as a bifunctional inhibitor exhibiting 41 \% similarity to a bifunctional inhibitor from Sesbania bispinosa. Feeding Spodoptera frugiperda larvae with CteTAI-infused diet impaired energy metabolism, resulting in undernourished larvae and malformed adults incapable of flight and mating. Key nutritional indices (RGR, RCR, \%ECI, \%FDI) were severely reduced, indicating that CteTAI disrupts growth and development by inhibiting multiple protease and alpha-amylase isoforms. Biochemical characterization of newly identified CteTAI suggests its potential application in crop protection.

}, keywords = {alpha-Amylase inhibitors, Bifunctional inhibitor, Clitoria ternatea, Protease inhibitors, Spodoptera frugiperda}, issn = {0141-8130}, doi = {10.1016/j.ijbiomac.2025.141180}, author = {Dongare, Pratiksha M. and Madage, Varsha A. and Deshpande, V. Neha and Joshi, Rakesh S. and Giri, Ashok P. and Pawar, Pankaj K.} } @article {49591, title = {Novel extruded palm tree wood-derived activated carbon-based SrTiO3 for wastewater treatment in continuous system: evaluation of synthesis condition, LHSV, and pH}, journal = {Inorganic Chemistry Communications}, volume = {173}, year = {2025}, month = {MAR}, pages = {113898}, type = {Article}, abstract = {

SrTiO3 is a potential photocatalyst, while its wide band gap hinders sufficient adsorption of visible light and decreases the photocatalytic efficiency. Herein, activated carbon (AC) derived from palm tree wood was functionalized with varying weight percentages (10, 20, and 30 wt\%) of SrTiO3 nanoparticles and evaluated for its efficiency in the photodegradation of Cefixime (CFX) in a continuous system. The effects of activation temperature on the morphological properties of AC, along with operational parameters such as Liquid Hourly Space Velocity (LHSV) (3, 4, and 5 h- 1) and the pH of the initial CFX solution (4, 6.5, and 9), were examined to optimize the photocatalytic performance. The photocatalyst activated at 900 degrees C with 30 wt\% SrTiO3 exhibited the highest activity, and were characterized by XRD, BET, FE-SEM, and UV-Vis analyses. Optimal conditions for CFX degradation were found at pH of 6.5 and LHSV of 5 h- 1. Additionally, hydroxyl (center dot OH) and superoxide (center dot O2-) radicals were identified as key species in CFX photodegradation process. Hence, these findings contribute to the design and development of highly-active continuous photocatalytic system.

}, keywords = {antibiotic, Continuous Photocatalytic Degradation, environmental remediation, Risk Management, Wastewater treatment}, issn = {1387-7003}, doi = {10.1016/j.inoche.2025.113898}, author = {Ghandour, Raymond and Ali, Ali B. M. and Kadhum, Abdul Amir H. and Diab, M. A. and El-Sabban, Heba A. and Shah, Mumtaj and Nagar, Harsha} }